Effect of confinement on anharmonic phonon scattering and thermal conductivity in pristine silicon nanowires

NASA Astrophysics Data System (ADS)

Rashid, Zahid; Zhu, Liyan; Li, Wu

2018-02-01

The effect of confinement on the anharmonic phonon scattering rates and the consequences thereof on the thermal transport properties in ultrathin silicon nanowires with a diameter of 1-4 nm have been characterized using atomistic simulations and the phonon Boltzmann transport equation. The phonon density of states (PDOS) for ultrathin nanowires approaches a constant value in the vicinity of the Γ point and increases with decreasing diameter, which indicates the increasing importance of the low-frequency phonons as heat carriers. The anharmonic phonon scattering becomes dramatically enhanced with decreasing thickness of the nanowires. In the thinnest nanowire, the scattering rates for phonons above 1 THz are one order of magnitude higher than those in the bulk Si. Below 1 THz, the increase in scattering rates is even much more appreciable. Our numerical calculations revealed that the scattering rates for transverse (longitudinal) acoustic modes follow √{ω } (1 /√{ω } ) dependence at the low-frequency limit, whereas those for the degenerate flexural modes asymptotically approach a constant value. In addition, the group velocities of phonons are reduced compared with bulk Si except for low-frequency phonons (<1 -2 THz depending on the thickness of the nanowires). The increased scattering rates combined with reduced group velocities lead to a severely reduced thermal conductivity contribution from the high-frequency phonons. Although the thermal conductivity contributed by those phonons with low frequencies is instead increased mainly due to the increased PDOS, the total thermal conductivity is still reduced compared to that of the bulk. This work reveals an unexplored mechanism to understand the measured ultralow thermal conductivity of silicon nanowires.

Approaching the ideal elastic strain limit in silicon nanowires

PubMed Central

Zhang, Hongti; Tersoff, Jerry; Xu, Shang; Chen, Huixin; Zhang, Qiaobao; Zhang, Kaili; Yang, Yong; Lee, Chun-Sing; Tu, King-Ning; Li, Ju; Lu, Yang

2016-01-01

Achieving high elasticity for silicon (Si) nanowires, one of the most important and versatile building blocks in nanoelectronics, would enable their application in flexible electronics and bio-nano interfaces. We show that vapor-liquid-solid–grown single-crystalline Si nanowires with diameters of ~100 nm can be repeatedly stretched above 10% elastic strain at room temperature, approaching the theoretical elastic limit of silicon (17 to 20%). A few samples even reached ~16% tensile strain, with estimated fracture stress up to ~20 GPa. The deformations were fully reversible and hysteresis-free under loading-unloading tests with varied strain rates, and the failures still occurred in brittle fracture, with no visible sign of plasticity. The ability to achieve this “deep ultra-strength” for Si nanowires can be attributed mainly to their pristine, defect-scarce, nanosized single-crystalline structure and atomically smooth surfaces. This result indicates that semiconductor nanowires could have ultra-large elasticity with tunable band structures for promising “elastic strain engineering” applications. PMID:27540586

Protein displacements under external forces: An atomistic Langevin dynamics approach.

PubMed

Gnandt, David; Utz, Nadine; Blumen, Alexander; Koslowski, Thorsten

2009-02-28

We present a fully atomistic Langevin dynamics approach as a method to simulate biopolymers under external forces. In the harmonic regime, this approach permits the computation of the long-term dynamics using only the eigenvalues and eigenvectors of the Hessian matrix of second derivatives. We apply this scheme to identify polymorphs of model proteins by their mechanical response fingerprint, and we relate the averaged dynamics of proteins to their biological functionality, with the ion channel gramicidin A, a phosphorylase, and neuropeptide Y as examples. In an environment akin to dilute solutions, even small proteins show relaxation times up to 50 ns. Atomically resolved Langevin dynamics computations have been performed for the stretched gramicidin A ion channel.

Brittle-to-Ductile Transition in Metallic Glass Nanowires.

PubMed

Şopu, D; Foroughi, A; Stoica, M; Eckert, J

2016-07-13

When reducing the size of metallic glass samples down to the nanoscale regime, experimental studies on the plasticity under uniaxial tension show a wide range of failure modes ranging from brittle to ductile ones. Simulations on the deformation behavior of nanoscaled metallic glasses report an unusual extended strain softening and are not able to reproduce the brittle-like fracture deformation as found in experiments. Using large-scale molecular dynamics simulations we provide an atomistic understanding of the deformation mechanisms of metallic glass nanowires and differentiate the extrinsic size effects and aspect ratio contribution to plasticity. A model for predicting the critical nanowire aspect ratio for the ductile-to-brittle transition is developed. Furthermore, the structure of brittle nanowires can be tuned to a softer phase characterized by a defective short-range order and an excess free volume upon systematic structural rejuvenation, leading to enhanced tensile ductility. The presented results shed light on the fundamental deformation mechanisms of nanoscaled metallic glasses and demarcate ductile and catastrophic failure.

Engineering Nanowire n-MOSFETs at L_{g}<8 nm

NASA Astrophysics Data System (ADS)

Mehrotra, Saumitra R.; Kim, SungGeun; Kubis, Tillmann; Povolotskyi, Michael; Lundstrom, Mark S.; Klimeck, Gerhard

2013-07-01

As metal-oxide-semiconductor field-effect transistors (MOSFET) channel lengths (Lg) are scaled to lengths shorter than Lg<8 nm source-drain tunneling starts to become a major performance limiting factor. In this scenario a heavier transport mass can be used to limit source-drain (S-D) tunneling. Taking InAs and Si as examples, it is shown that different heavier transport masses can be engineered using strain and crystal orientation engineering. Full-band extended device atomistic quantum transport simulations are performed for nanowire MOSFETs at Lg<8 nm in both ballistic and incoherent scattering regimes. In conclusion, a heavier transport mass can indeed be advantageous in improving ON state currents in ultra scaled nanowire MOSFETs.

A top-down approach to fabrication of high quality vertical heterostructure nanowire arrays.

PubMed

Wang, Hua; Sun, Minghua; Ding, Kang; Hill, Martin T; Ning, Cun-Zheng

2011-04-13

We demonstrate a novel top-down approach for fabricating nanowires with unprecedented complexity and optical quality by taking advantage of a nanoscale self-masking effect. We realized vertical arrays of nanowires of 20-40 nm in diameter with 16 segments of complex longitudinal InGaAsP/InP structures. The unprecedented high quality of etched wires is evidenced by the narrowest photoluminescence linewidth ever produced in similar wavelengths, indistinguishable from that of the corresponding wafer. This top-down, mask-free, large scale approach is compatible with the established device fabrication processes and could serve as an important alternative to the bottom-up approach, significantly expanding ranges and varieties of applications of nanowire technology.

An Optimization-based Atomistic-to-Continuum Coupling Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olson, Derek; Bochev, Pavel B.; Luskin, Mitchell

2014-08-21

In this paper, we present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the latter as a constrained optimization problem with virtual Dirichlet controls on the interfaces between the atomistic and continuum subdomains. The optimization objective is to minimize the error between the atomistic and continuum solutions on the overlap between the two subdomains, while the atomistic and continuum force balance equations provide the constraints. Separation, rather then blending of the atomistic and continuum problems, and their subsequent use as constraints in the optimization problem distinguishes our approach from the existing AtC formulations. Finally,more » we present and analyze the method in the context of a one-dimensional chain of atoms modeled using a linearized two-body potential with next-nearest neighbor interactions.« less

Atomistic investigations on the mechanical properties and fracture mechanisms of indium phosphide nanowires.

PubMed

Pial, Turash Haque; Rakib, Tawfiqur; Mojumder, Satyajit; Motalab, Mohammad; Akanda, M A Salam

2018-03-28

The mechanical properties of indium phosphide (InP) nanowires are an emerging issue due to the promising applications of these nanowires in nanoelectromechanical and microelectromechanical devices. In this study, molecular dynamics simulations of zincblende (ZB) and wurtzite (WZ) crystal structured InP nanowires (NWs) are presented under uniaxial tension at varying sizes and temperatures. It is observed that the tensile strengths of both types of NWs show inverse relationships with temperature, but are independent of the size of the nanowires. Moreover, applied load causes brittle fracture by nucleating cleavage on ZB and WZ NWs. When the tensile load is applied along the [001] direction, the direction of the cleavage planes of ZB NWs changes with temperature. It is found that the {111} planes are the cleavage planes at lower temperatures; on the other hand, the {110} cleavage planes are activated at elevated temperatures. In the case of WZ NWs, fracture of the material is observed to occur by cleaving along the (0001) plane irrespective of temperature when the tensile load is applied along the [0001] direction. Furthermore, the WZ NWs of InP show considerably higher strength than their ZB counterparts. Finally, the impact of strain rate on the failure behavior of InP NWs is also studied, and higher fracture strengths and strains at higher strain rates are found. With increasing strain rate, the number of cleavages also increases in the NWs. This paper also provides in-depth understanding of the failure behavior of InP NWs, which will aid the design of efficient InP NWs-based devices.

Atomistic Insights Into the Oriented Attachment of Tunnel-Based Oxide Nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, Yifei; Wood, Stephen M; He, Kun

Controlled synthesis of nanomaterials is one of the grand challenges facing materials scientists. In particular, how tunnel-based nanomaterials aggregate during synthesis while maintaining their well-aligned tunneled structure is not fully understood. Here, we describe the atomistic mechanism of oriented attachment (OA) during solution synthesis of tunneled α-MnO2 nanowires based on a combination of in situ liquid cell transmission electron microscopy (TEM), aberration-corrected scanning TEM with subangstrom spatial resolution, and first-principles calculations. It is found that primary tunnels (1 × 1 and 2 × 2) attach along their common {110} lateral surfaces to form interfaces corresponding to 2 × 3 tunnelsmore » that facilitate their short-range ordering. The OA growth of α-MnO2 nanowires is driven by the stability gained from elimination of {110} surfaces and saturation of Mn atoms at {110}-edges. During this process, extra [MnOx] radicals in solution link the two adjacent {110} surfaces and bond with the unsaturated Mn atoms from both surface edges to produce stable nanowire interfaces. Our results provide insights into the controlled synthesis and design of nanomaterials in which tunneled structures can be tailored for use in catalysis, ion exchange, and energy storage applications.« less

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

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

Comparative simulations of microjetting using atomistic and continuous approaches in presence of viscosity and surface tension

NASA Astrophysics Data System (ADS)

Durand, Olivier; Soulard, Laurent; Jaouen, Stephane; Heuze, Olivier; Colombet, Laurent; Cieren, Emmanuel

2017-06-01

We compare, at similar scales, the processes of microjetting and ejecta production from shocked roughened metal surfaces by using atomistic and continuous approaches. The atomistic approach is based on very large scale molecular dynamics (MD) simulations. The continuous approach is based on Eulerian hydrodynamics simulations with adaptive mesh refinement; the simulations take into account the effects of viscosity and surface tension, and they use an equation of state calculated from the MD simulations. The microjetting is generated by shock-loading above its fusion point a three-dimensional tin crystal with an initial sinusoidal free surface perturbation, the crystal being set in contact with a vacuum. Several samples with homothetic wavelengths and amplitudes of defect are simulated in order to investigate the influence of the viscosity and surface tension of the metal. The simulations show that the hydrodynamic code reproduces with a very good agreement the distributions, calculated from the MD simulations, of the ejected mass and velocity along the jet. Both codes exhibit also a similar phenomenology of fragmentation of the metallic liquid sheets ejected.

Atomistic minimal model for estimating profile of electrodeposited nanopatterns

NASA Astrophysics Data System (ADS)

Asgharpour Hassankiadeh, Somayeh; Sadeghi, Ali

2018-06-01

We develop a computationally efficient and methodologically simple approach to realize molecular dynamics simulations of electrodeposition. Our minimal model takes into account the nontrivial electric field due a sharp electrode tip to perform simulations of the controllable coating of a thin layer on a surface with an atomic precision. On the atomic scale a highly site-selective electrodeposition of ions and charged particles by means of the sharp tip of a scanning probe microscope is possible. A better understanding of the microscopic process, obtained mainly from atomistic simulations, helps us to enhance the quality of this nanopatterning technique and to make it applicable in fabrication of nanowires and nanocontacts. In the limit of screened inter-particle interactions, it is feasible to run very fast simulations of the electrodeposition process within the framework of the proposed model and thus to investigate how the shape of the overlayer depends on the tip-sample geometry and dielectric properties, electrolyte viscosity, etc. Our calculation results reveal that the sharpness of the profile of a nano-scale deposited overlayer is dictated by the normal-to-sample surface component of the electric field underneath the tip.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saha, Sourav, E-mail: ssaha09@me.buet.ac.bd; Mojumder, Satyajit; Mahboob, Monon

2016-07-12

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

Geometrical and band-structure effects on phonon-limited hole mobility in rectangular cross-sectional germanium nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanaka, H., E-mail: tanaka@semicon.kuee.kyoto-u.ac.jp; Mori, S.; Morioka, N.

2014-12-21

We calculated the phonon-limited hole mobility in rectangular cross-sectional [001], [110], [111], and [112]-oriented germanium nanowires, and the hole transport characteristics were investigated. A tight-binding approximation was used for holes, and phonons were described by a valence force field model. Then, scattering probability of holes by phonons was calculated taking account of hole-phonon interaction atomistically, and the linearized Boltzmann's transport equation was solved to calculate the hole mobility at low longitudinal field. The dependence of the hole mobility on nanowire geometry was analyzed in terms of the valence band structure of germanium nanowires, and it was found that the dependencemore » was qualitatively reproduced by considering an average effective mass and the density of states of holes. The calculation revealed that [110] germanium nanowires with large height along the [001] direction show high hole mobility. Germanium nanowires with this geometry are also expected to exhibit high electron mobility in our previous work, and thus they are promising for complementary metal-oxide-semiconductor (CMOS) applications.« less

Filters for Improvement of Multiscale Data from Atomistic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gardner, David J.; Reynolds, Daniel R.

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Filters for Improvement of Multiscale Data from Atomistic Simulations

DOE PAGES

Gardner, David J.; Reynolds, Daniel R.

2017-01-05

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Passing waves from atomistic to continuum

NASA Astrophysics Data System (ADS)

Chen, Xiang; Diaz, Adrian; Xiong, Liming; McDowell, David L.; Chen, Youping

2018-02-01

Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic-continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic-continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic-continuum interfaces. This work is the first step towards developing a concurrent atomistic-continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.

Comparative simulations of microjetting using atomistic and continuous approaches in the presence of viscosity and surface tension

NASA Astrophysics Data System (ADS)

Durand, O.; Jaouen, S.; Soulard, L.; Heuzé, O.; Colombet, L.

2017-10-01

We compare, at similar scales, the processes of microjetting and ejecta production from shocked roughened metal surfaces by using atomistic and continuous approaches. The atomistic approach is based on very large scale molecular dynamics (MD) simulations with systems containing up to 700 × 106 atoms. The continuous approach is based on Eulerian hydrodynamics simulations with adaptive mesh refinement; the simulations take into account the effects of viscosity and surface tension, and the equation of state is calculated from the MD simulations. The microjetting is generated by shock-loading above its fusion point a three-dimensional tin crystal with an initial sinusoidal free surface perturbation, the crystal being set in contact with a vacuum. Several samples with homothetic wavelengths and amplitudes of defect are simulated in order to investigate the influence of viscosity and surface tension of the metal. The simulations show that the hydrodynamic code reproduces with very good agreement the profiles, calculated from the MD simulations, of the ejected mass and velocity along the jet. Both codes also exhibit a similar fragmentation phenomenology of the metallic liquid sheets ejected, although the fragmentation seed is different. We show in particular, that it depends on the mesh size in the continuous approach.

Atomistic modeling of water diffusion in hydrolytic biomaterials.

PubMed

Gautieri, Alfonso; Mezzanzanica, Andrea; Motta, Alberto; Redealli, Alberto; Vesentini, Simone

2012-04-01

One of the most promising applications of hydrolytically degrading biomaterials is their use as drug release carriers. These uses, however, require that the degradation and diffusion of drug are reliably predicted, which is complex to achieve through present experimental methods. Atomistic modeling can help in the knowledge-based design of degrading biomaterials with tuned drug delivery properties, giving insights on the small molecules diffusivity at intermediate states of the degradation process. We present here an atomistic-based approach to investigate the diffusion of water (through which hydrolytic degradation occurs) in degrading bulk models of poly(lactic acid) or PLA. We determine the water diffusion coefficient for different swelling states of the polymeric matrix (from almost dry to pure water) and for different degrees of degradation. We show that water diffusivity is highly influenced by the swelling degree, while little or not influenced by the degradation state. This approach, giving water diffusivity for different states of the matrix, can be combined with diffusion-reaction analytical methods in order to predict the degradation path on longer time scales. Furthermore, atomistic approach can be used to investigate diffusion of other relevant small molecules, eventually leading to the a priori knowledge of degradable biomaterials transport properties, helping the design of the drug delivery systems.

First-principles simulation on Seebeck coefficient in silicon nanowires

NASA Astrophysics Data System (ADS)

Nakamura, Koichi

2017-06-01

The Seebeck coefficients of silicon nanowires (SiNWs) were simulated on the basis of first-principles calculation using various atomistic structure models. The electronic band structures of fully hydrogen-terminated SiNW models give the correct image of quantum mechanical confinement from bulk silicon to SiNW for each axial direction, and the change in the density of states by dimensional reduction to SiNW enhances the thermoelectric performance in terms of the Seebeck coefficient, compared with those of bulk silicon and silicon nanosheets. The uniaxial tensile strain for the SiNW models does not strongly affect the Seebeck coefficient even for the SiNW system with giant piezoresistivity. In contrast, dangling bonds on a wire wall sharply reduce the Seebeck coefficient of SiNW and totally degrade thermoelectric performance from the viewpoint of the power factor. The exclusion of dangling bonds is a key element for the design and application of high-performance thermoelectric nanowires of semiconducting materials.

Anharmonic phonon-phonon scattering modeling of three-dimensional atomistic transport: An efficient quantum treatment

NASA Astrophysics Data System (ADS)

Lee, Y.; Bescond, M.; Logoteta, D.; Cavassilas, N.; Lannoo, M.; Luisier, M.

2018-05-01

We propose an efficient method to quantum mechanically treat anharmonic interactions in the atomistic nonequilibrium Green's function simulation of phonon transport. We demonstrate that the so-called lowest-order approximation, implemented through a rescaling technique and analytically continued by means of the Padé approximants, can be used to accurately model third-order anharmonic effects. Although the paper focuses on a specific self-energy, the method is applicable to a very wide class of physical interactions. We apply this approach to the simulation of anharmonic phonon transport in realistic Si and Ge nanowires with uniform or discontinuous cross sections. The effect of increasing the temperature above 300 K is also investigated. In all the considered cases, we are able to obtain a good agreement with the routinely adopted self-consistent Born approximation, at a remarkably lower computational cost. In the more complicated case of high temperatures (≫300 K), we find that the first-order Richardson extrapolation applied to the sequence of the Padé approximants N -1 /N results in a significant acceleration of the convergence.

Large scale atomistic approaches to thermal transport and phonon scattering in nanostructured materials

NASA Astrophysics Data System (ADS)

Savic, Ivana

2012-02-01

Decreasing the thermal conductivity of bulk materials by nanostructuring and dimensionality reduction, or by introducing some amount of disorder represents a promising strategy in the search for efficient thermoelectric materials [1]. For example, considerable improvements of the thermoelectric efficiency in nanowires with surface roughness [2], superlattices [3] and nanocomposites [4] have been attributed to a significantly reduced thermal conductivity. In order to accurately describe thermal transport processes in complex nanostructured materials and directly compare with experiments, the development of theoretical and computational approaches that can account for both anharmonic and disorder effects in large samples is highly desirable. We will first summarize the strengths and weaknesses of the standard atomistic approaches to thermal transport (molecular dynamics [5], Boltzmann transport equation [6] and Green's function approach [7]) . We will then focus on the methods based on the solution of the Boltzmann transport equation, that are computationally too demanding, at present, to treat large scale systems and thus to investigate realistic materials. We will present a Monte Carlo method [8] to solve the Boltzmann transport equation in the relaxation time approximation [9], that enables computation of the thermal conductivity of ordered and disordered systems with a number of atoms up to an order of magnitude larger than feasible with straightforward integration. We will present a comparison between exact and Monte Carlo Boltzmann transport results for small SiGe nanostructures and then use the Monte Carlo method to analyze the thermal properties of realistic SiGe nanostructured materials. This work is done in collaboration with Davide Donadio, Francois Gygi, and Giulia Galli from UC Davis.[4pt] [1] See e.g. A. J. Minnich, M. S. Dresselhaus, Z. F. Ren, and G. Chen, Energy Environ. Sci. 2, 466 (2009).[0pt] [2] A. I. Hochbaum et al, Nature 451, 163 (2008).[0pt

Simulating complex atomistic processes: On-the-fly kinetic Monte Carlo scheme with selective active volumes

NASA Astrophysics Data System (ADS)

Xu, Haixuan; Osetsky, Yury N.; Stoller, Roger E.

2011-10-01

An accelerated atomistic kinetic Monte Carlo (KMC) approach for evolving complex atomistic structures has been developed. The method incorporates on-the-fly calculations of transition states (TSs) with a scheme for defining active volumes (AVs) in an off-lattice (relaxed) system. In contrast to conventional KMC models that require all reactions to be predetermined, this approach is self-evolving and any physically relevant motion or reaction may occur. Application of this self-evolving atomistic kinetic Monte Carlo (SEAK-MC) approach is illustrated by predicting the evolution of a complex defect configuration obtained in a molecular dynamics (MD) simulation of a displacement cascade in Fe. Over much longer times, it was shown that interstitial clusters interacting with other defects may change their structure, e.g., from glissile to sessile configuration. The direct comparison with MD modeling confirms the atomistic fidelity of the approach, while the longer time simulation demonstrates the unique capability of the model.

Atomistic Cohesive Zone Models for Interface Decohesion in Metals

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.; Saether, Erik; Glaessgen, Edward H.

2009-01-01

Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship characterizing the load transfer across the plane of a growing edge crack is extracted from atomistic simulations for use within a continuum finite element model. The methodology for the atomistic derivation of a cohesive-zone law is presented. This procedure can be implemented to build cohesive-zone finite element models for simulating fracture in nanocrystalline or ultrafine grained materials.

In-surface confinement of topological insulator nanowire surface states

NASA Astrophysics Data System (ADS)

Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

2015-09-01

The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

Template-Assisted Scalable Nanowire Networks.

PubMed

Friedl, Martin; Cerveny, Kris; Weigele, Pirmin; Tütüncüoglu, Gozde; Martí-Sánchez, Sara; Huang, Chunyi; Patlatiuk, Taras; Potts, Heidi; Sun, Zhiyuan; Hill, Megan O; Güniat, Lucas; Kim, Wonjong; Zamani, Mahdi; Dubrovskii, Vladimir G; Arbiol, Jordi; Lauhon, Lincoln J; Zumbühl, Dominik M; Fontcuberta I Morral, Anna

2018-04-11

Topological qubits based on Majorana Fermions have the potential to revolutionize the emerging field of quantum computing by making information processing significantly more robust to decoherence. Nanowires are a promising medium for hosting these kinds of qubits, though branched nanowires are needed to perform qubit manipulations. Here we report a gold-free templated growth of III-V nanowires by molecular beam epitaxy using an approach that enables patternable and highly regular branched nanowire arrays on a far greater scale than what has been reported thus far. Our approach relies on the lattice-mismatched growth of InAs on top of defect-free GaAs nanomembranes yielding laterally oriented, low-defect InAs and InGaAs nanowires whose shapes are determined by surface and strain energy minimization. By controlling nanomembrane width and growth time, we demonstrate the formation of compositionally graded nanowires with cross-sections less than 50 nm. Scaling the nanowires below 20 nm leads to the formation of homogeneous InGaAs nanowires, which exhibit phase-coherent, quasi-1D quantum transport as shown by magnetoconductance measurements. These results are an important advance toward scalable topological quantum computing.

Composition and diameter modulation of magnetic nanowire arrays fabricated by a novel approach

NASA Astrophysics Data System (ADS)

Shaker Salem, Mohamed; Tejo, Felipe; Zierold, Robert; Sergelius, Philip; Montero Moreno, Josep M.; Goerlitz, Detlef; Nielsch, Kornelius; Escrig, Juan

2018-02-01

Straight magnetic nanowires composed of nickel and permalloy segments having different diameters are synthesized using a promising approach. This approach involves the controlled electrodeposition of each magnetic material into specially designed diameter-modulated porous alumina templates. Standard alumina templates are exposed to pore widening followed by a protective coating of the pore wall with ultrathin silica and further anodization. Micromagnetic simulations are employed to investigate the process of magnetization reversal in the fabricated nanowires when the magnetic materials exchange their places in the thick and thin segments. It is found that the magnetization reversal occurs by the propagation of transverse domain wall (DW) when the thick segment is composed of permalloy. However, the reversal process proceeds by the propagation of vortex DW when permalloy is located at the thin segment.

Tunable Nanowire Patterning Using Standing Surface Acoustic Waves

PubMed Central

Chen, Yuchao; Ding, Xiaoyun; Lin, Sz-Chin Steven; Yang, Shikuan; Huang, Po-Hsun; Nama, Nitesh; Zhao, Yanhui; Nawaz, Ahmad Ahsan; Guo, Feng; Wang, Wei; Gu, Yeyi; Mallouk, Thomas E.; Huang, Tony Jun

2014-01-01

Patterning of nanowires in a controllable, tunable manner is important for the fabrication of functional nanodevices. Here we present a simple approach for tunable nanowire patterning using standing surface acoustic waves (SSAW). This technique allows for the construction of large-scale nanowire arrays with well-controlled patterning geometry and spacing within 5 seconds. In this approach, SSAWs were generated by interdigital transducers (IDTs), which induced a periodic alternating current (AC) electric field on the piezoelectric substrate and consequently patterned metallic nanowires in suspension. The patterns could be deposited onto the substrate after the liquid evaporated. By controlling the distribution of the SSAW field, metallic nanowires were assembled into different patterns including parallel and perpendicular arrays. The spacing of the nanowire arrays could be tuned by controlling the frequency of the surface acoustic waves. Additionally, we observed 3D spark-shape nanowire patterns in the SSAW field. The SSAW-based nanowire-patterning technique presented here possesses several advantages over alternative patterning approaches, including high versatility, tunability, and efficiency, making it promising for device applications. PMID:23540330

Controlled synthesis of organic single-crystalline nanowires via the synergy approach of the bottom-up/top-down processes.

PubMed

Zhuo, Ming-Peng; Zhang, Ye-Xin; Li, Zhi-Zhou; Shi, Ying-Li; Wang, Xue-Dong; Liao, Liang-Sheng

2018-03-15

The controlled fabrication of organic single-crystalline nanowires (OSCNWs) with a uniform diameter in the nanoscale via the bottom-up approach, which is just based on weak intermolecular interaction, is a great challenge. Herein, we utilize the synergy approach of the bottom-up and the top-down processes to fabricate OSCNWs with diameters of 120 ± 10 nm through stepwise evolution processes. Specifically, the evolution processes vary from the self-assembled organic micro-rods with a quadrangular pyramid-like end-structure bounded with {111}s and {11-1}s crystal planes to the "top-down" synthesized organic micro-rods with the flat cross-sectional {002}s plane, to the organic micro-tubes with a wall thickness of ∼115 nm, and finally to the organic nanowires. Notably, the anisotropic etching process caused by the protic solvent molecules (such as ethanol) is crucial for the evolution of the morphology throughout the whole top-down process. Therefore, our demonstration opens a new avenue for the controlled-fabrication of organic nanowires, and also contributes to the development of nanowire-based organic optoelectronics such as organic nanowire lasers.

Facet-selective nucleation and conformal epitaxy of Ge shells on Si nanowires

DOE PAGES

Nguyen, Binh -Minh; Swartzentruber, Brian; Ro, Yun Goo; ...

2015-10-08

Knowledge of nanoscale heteroepitaxy is continually evolving as advances in material synthesis reveal new mechanisms that have not been theoretically predicted and are different than what is known about planar structures. In addition to a wide range of potential applications, core/shell nanowire structures offer a useful template to investigate heteroepitaxy at the atomistic scale. We show that the growth of a Ge shell on a Si core can be tuned from the theoretically predicted island growth mode to a conformal, crystalline, and smooth shell by careful adjustment of growth parameters in a narrow growth window that has not been exploredmore » before. In the latter growth mode, Ge adatoms preferentially nucleate islands on the {113} facets of the Si core, which outgrow over the {220} facets. Islands on the low-energy {111} facets appear to have a nucleation delay compared to the {113} islands; however, they eventually coalesce to form a crystalline conformal shell. As a result, synthesis of epitaxial and conformal Si/Ge/Si core/multishell structures enables us to fabricate unique cylindrical ring nanowire field-effect transistors, which we demonstrate to have steeper on/off characteristics than conventional core/shell nanowire transistors.« less

Photovoltaic devices based on quantum dot functionalized nanowire arrays embedded in an organic matrix

NASA Astrophysics Data System (ADS)

Kung, Patrick; Harris, Nicholas; Shen, Gang; Wilbert, David S.; Baughman, William; Balci, Soner; Dawahre, Nabil; Butler, Lee; Rivera, Elmer; Nikles, David; Kim, Seongsin M.

2012-01-01

Quantum dot (QD) functionalized nanowire arrays are attractive structures for low cost high efficiency solar cells. QDs have the potential for higher quantum efficiency, increased stability and lifetime compared to traditional dyes, as well as the potential for multiple electron generation per photon. Nanowire array scaffolds constitute efficient, low resistance electron transport pathways which minimize the hopping mechanism in the charge transport process of quantum dot solar cells. However, the use of liquid electrolytes as a hole transport medium within such scaffold device structures have led to significant degradation of the QDs. In this work, we first present the synthesis uniform single crystalline ZnO nanowire arrays and their functionalization with InP/ZnS core-shell quantum dots. The structures are characterized using electron microscopy, optical absorption, photoluminescence and Raman spectroscopy. Complementing photoluminescence, transmission electron microanalysis is used to reveal the successful QD attachment process and the atomistic interface between the ZnO and the QD. Energy dispersive spectroscopy reveals the co-localized presence of indium, phosphorus, and sulphur, suggestive of the core-shell nature of the QDs. The functionalized nanowire arrays are subsequently embedded in a poly-3(hexylthiophene) hole transport matrix with a high degree of polymer infiltration to complete the device structure prior to measurement.

High speed superconducting nanowire single-photon detector with nine interleaved nanowires

NASA Astrophysics Data System (ADS)

Huang, Jia; Zhang, Weijun; You, Lixing; Zhang, Chengjun; Lv, Chaolin; Wang, Yong; Liu, Xiaoyu; Li, Hao; Wang, Zhen

2018-07-01

Count rate (CR) is one of the key parameters of superconducting nanowire single-photon detectors (SNSPDs). The practical SNSPDs usually have a CR of a few MHz to a few tens of MHz owing to the large kinetic inductance originating from the long nanowire, which is necessary for effectively coupling the photons. A feasible approach to decrease the kinetic inductance and consequently increase the detection speed is to replace a long single nanowire with multiple individual nanowires in an array. In this study, we report an SNSPD of nine interleaved nanowires with 70% system detection efficiency (SDE) and 200 Hz dark count rate at the low-photon-flux limit of 1550 nm. Owing to the small dead time (<6 ns) of each nanowire, the SNSPD achieved a maximum CR of 0.93 GHz at a photon flux of 1.26 × 1010 photons s‑1 with an SDE of ∼7.4%, and a CR of 200 MHz with an SDE of over 50%. Furthermore, a photon number resolvability of up to nine photons was also demonstrated.

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).

Elastic dipoles of point defects from atomistic simulations

NASA Astrophysics Data System (ADS)

Varvenne, Céline; Clouet, Emmanuel

2017-12-01

The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

Electromagnetic field enhancement effects in group IV semiconductor nanowires. A Raman spectroscopy approach

NASA Astrophysics Data System (ADS)

Pura, J. L.; Anaya, J.; Souto, J.; Prieto, A. C.; Rodríguez, A.; Rodríguez, T.; Periwal, P.; Baron, T.; Jiménez, J.

2018-03-01

Semiconductor nanowires (NWs) are the building blocks of future nanoelectronic devices. Furthermore, their large refractive index and reduced dimension make them suitable for nanophotonics. The study of the interaction between nanowires and visible light reveals resonances that promise light absorption/scattering engineering for photonic applications. Micro-Raman spectroscopy has been used as a characterization tool for semiconductor nanowires. The light/nanowire interaction can be experimentally assessed through the micro-Raman spectra of individual nanowires. As compared to both metallic and dielectric nanowires, semiconductor nanowires add additional tools for photon engineering. In particular, one can grow heterostructured nanowires, both axial and radial, and also one could modulate the doping level and the surface condition among other factors than can affect the light/NW interaction. We present herein a study of the optical response of group IV semiconductor nanowires to visible photons. The study is experimentally carried out through micro-Raman spectroscopy of different group IV nanowires, both homogeneous and axially heterostructured (SiGe/Si). The results are analyzed in terms of the electromagnetic modelling of the light/nanowire interaction using finite element methods. The presence of axial heterostructures is shown to produce electromagnetic resonances promising new photon engineering capabilities of semiconductor nanowires.

TiO2 nanowire-templated hierarchical nanowire network as water-repelling coating

NASA Astrophysics Data System (ADS)

Hang, Tian; Chen, Hui-Jiuan; Xiao, Shuai; Yang, Chengduan; Chen, Meiwan; Tao, Jun; Shieh, Han-ping; Yang, Bo-ru; Liu, Chuan; Xie, Xi

2017-12-01

Extraordinary water-repelling properties of superhydrophobic surfaces make them novel candidates for a great variety of potential applications. A general approach to achieve superhydrophobicity requires low-energy coating on the surface and roughness on nano- and micrometre scale. However, typical construction of superhydrophobic surfaces with micro-nano structure through top-down fabrication is restricted by sophisticated fabrication techniques and limited choices of substrate materials. Micro-nanoscale topographies templated by conventional microparticles through surface coating may produce large variations in roughness and uncontrollable defects, resulting in poorly controlled surface morphology and wettability. In this work, micro-nanoscale hierarchical nanowire network was fabricated to construct self-cleaning coating using one-dimensional TiO2 nanowires as microscale templates. Hierarchical structure with homogeneous morphology was achieved by branching ZnO nanowires on the TiO2 nanowire backbones through hydrothermal reaction. The hierarchical nanowire network displayed homogeneous micro/nano-topography, in contrast to hierarchical structure templated by traditional microparticles. This hierarchical nanowire network film exhibited high repellency to both water and cell culture medium after functionalization with fluorinated organic molecules. The hierarchical structure templated by TiO2 nanowire coating significantly increased the surface superhydrophobicity compared to vertical ZnO nanowires with nanotopography alone. Our results demonstrated a promising strategy of using nanowires as microscale templates for the rational design of hierarchical coatings with desired superhydrophobicity that can also be applied to various substrate materials.

TiO2 nanowire-templated hierarchical nanowire network as water-repelling coating

PubMed Central

Hang, Tian; Chen, Hui-Jiuan; Xiao, Shuai; Yang, Chengduan; Chen, Meiwan; Tao, Jun; Shieh, Han-ping; Yang, Bo-ru; Liu, Chuan

2017-01-01

Extraordinary water-repelling properties of superhydrophobic surfaces make them novel candidates for a great variety of potential applications. A general approach to achieve superhydrophobicity requires low-energy coating on the surface and roughness on nano- and micrometre scale. However, typical construction of superhydrophobic surfaces with micro-nano structure through top-down fabrication is restricted by sophisticated fabrication techniques and limited choices of substrate materials. Micro-nanoscale topographies templated by conventional microparticles through surface coating may produce large variations in roughness and uncontrollable defects, resulting in poorly controlled surface morphology and wettability. In this work, micro-nanoscale hierarchical nanowire network was fabricated to construct self-cleaning coating using one-dimensional TiO2 nanowires as microscale templates. Hierarchical structure with homogeneous morphology was achieved by branching ZnO nanowires on the TiO2 nanowire backbones through hydrothermal reaction. The hierarchical nanowire network displayed homogeneous micro/nano-topography, in contrast to hierarchical structure templated by traditional microparticles. This hierarchical nanowire network film exhibited high repellency to both water and cell culture medium after functionalization with fluorinated organic molecules. The hierarchical structure templated by TiO2 nanowire coating significantly increased the surface superhydrophobicity compared to vertical ZnO nanowires with nanotopography alone. Our results demonstrated a promising strategy of using nanowires as microscale templates for the rational design of hierarchical coatings with desired superhydrophobicity that can also be applied to various substrate materials. PMID:29308265

Fabrication of Si3N4 nanowire membranes: free standing disordered nanopapers and aligned nanowire assemblies

NASA Astrophysics Data System (ADS)

Liu, Haitao; Fang, Minghao; Huang, Zhaohui; Huang, Juntong; Liu, Yan-gai; Wu, Xiaowen

2016-08-01

Herein, ultralong silicon nitride nanowires were synthesized via a chemical vapor deposition method by using the low-cost quartz and silicon powder as raw materials. Simple processes were used for the fabrication of disordered and ordered nanowire membranes of pure silicon nitride nanowires. The nanowires in the disordered nanopapers are intertwined with each other to form a paper-like structure which exhibit excellent flame retardancy and mechanical properties. Fourier-transform infrared spectroscopy and thermal gravity analysis were employed to characterize the refractory performance of the disordered nanopapers. Highly ordered nanowire membranes were also assembled through a three-phase assembly approach which make the Si3N4 nanowires have potential use in textured ceramics and semiconductor field. Moreover, the surface nanowires can also be modified to be hydrophobic; this characteristic make the as-prepared nanowires have the potential to be assembled by the more effective Langmuir-Blodgett method and also make the disordered nanopapers possess a super-hydrophobic surface.

Atomistic to continuum modeling of solidification microstructures

DOE PAGES

Karma, Alain; Tourret, Damien

2015-09-26

We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked tomore » experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.« less

The controlled growth of GaN nanowires.

PubMed

Hersee, Stephen D; Sun, Xinyu; Wang, Xin

2006-08-01

This paper reports a scalable process for the growth of high-quality GaN nanowires and uniform nanowire arrays in which the position and diameter of each nanowire is precisely controlled. The approach is based on conventional metalorganic chemical vapor deposition using regular precursors and requires no additional metal catalyst. The location, orientation, and diameter of each GaN nanowire are controlled using a thin, selective growth mask that is patterned by interferometric lithography. It was found that use of a pulsed MOCVD process allowed the nanowire diameter to remain constant after the nanowires had emerged from the selective growth mask. Vertical GaN nanowire growth rates in excess of 2 mum/h were measured, while remarkably the diameter of each nanowire remained constant over the entire (micrometer) length of the nanowires. The paper reports transmission electron microscopy and photoluminescence data.

Magnetic and superconducting nanowires.

PubMed

Piraux, L; Encinas, A; Vila, L; Mátéfi-Tempfli, S; Mátéfi-Tempfli, M; Darques, M; Elhoussine, F; Michotte, S

2005-03-01

This article is focused on the use of electrodeposition and of various nanoporous templates for the fabrication of metallic nanowires made from single metals (Ni, Co, Pb, Sn), alloys (NiFe, CoFe, CoPt), and multilayers (Co/Cu, NiFe/Cu). An overview is given of our recent studies performed on both magnetic and superconducting nanowires. Using different approaches entailing measurements on both single wires and arrays, numerous interesting physical properties have been identified in relation to the nanoscopic dimensions of these materials. Finally, various novel applications of the nanowires are also discussed.

PREFACE: Synthesis and integration of nanowires

NASA Astrophysics Data System (ADS)

Samuelson, L.

2006-06-01

The field of semiconductor nanowires has attracted much attention in recent years, from the areas of basic materials science, advanced characterization and technology, as well as from the perspective of the applications of nanowires. Research on large-sized whiskers and wires had already begun in the 1960s with the pioneering work of Wagner, as well as by other researchers. It was, however, in the early 1990s that Kenji Hiruma at Hitachi Central Research Laboratories in Japan first succeeded in developing methods for the growth of nanowires with dimensions on the scale of 10-100 nm, thereby initiating the field of growth and applications of nanowires, with a strong emphasis on epitaxial nucleation of nanowires on a single-crystalline substrate. Starting from the mid-1990s, the field developed very rapidly with the number of papers on the subject growing from ten per year to several thousand papers on the subject published annually today, although with a rather generous definition of the concept of nanowires. With this rapid development we have seen many new and different approaches to the growth of nanowires, technological advances leading to a more well-controlled formation of nanowires, new innovative methods for the characterization of structures, as well as a wealth of approaches towards the use of nanowires in electronics, photonics and sensor applications. This issue contains contributions from many different laboratories, each adding significant detail to the development of the field of research. The contributions cover issues such as basic growth, advanced characterization and technology, and application of nanowires. I would like to acknowledge the shared responsibilities for this special issue of Nanotechnology on the synthesis and integration of nanowires with my co-Editors, S Tong Lee and M Sunkara, as well as the highly professional support from Dr Nina Couzin, Dr Ian Forbes and the Nanotechnology team from the Institute of Physics Publishing.

Surfactant-Templated Mesoporous Metal Oxide Nanowires

DOE PAGES

Luo, Hongmei; Lin, Qianglu; Baber, Stacy; ...

2010-01-01

We demore » monstrate two approaches to prepare mesoporous metal oxide nanowires by surfactant assembly and nanoconfinement via sol-gel or electrochemical deposition. For example, mesoporous Ta 2 O 5 and zeolite nanowires are prepared by block copolymer Pluronic 123-templated sol-gel method, and mesoporous ZnO nanowires are prepared by electrodeposition in presence of anionic surfactant sodium dodecyl sulfate (SDS) surfactant, in porous membranes. The morphologies of porous nanowires are studied by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses.« less

Electrically Injected UV-Visible Nanowire Lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, George T.; Li, Changyi; Li, Qiming

2015-09-01

There is strong interest in minimizing the volume of lasers to enable ultracompact, low-power, coherent light sources. Nanowires represent an ideal candidate for such nanolasers as stand-alone optical cavities and gain media, and optically pumped nanowire lasing has been demonstrated in several semiconductor systems. Electrically injected nanowire lasers are needed to realize actual working devices but have been elusive due to limitations of current methods to address the requirement for nanowire device heterostructures with high material quality, controlled doping and geometry, low optical loss, and efficient carrier injection. In this project we proposed to demonstrate electrically injected single nanowire lasersmore » emitting in the important UV to visible wavelengths. Our approach to simultaneously address these challenges is based on high quality III-nitride nanowire device heterostructures with precisely controlled geometries and strong gain and mode confinement to minimize lasing thresholds, enabled by a unique top-down nanowire fabrication technique.« less

Predicting the Macroscopic Fracture Energy of Epoxy Resins from Atomistic Molecular Simulations

DOE PAGES

Meng, Zhaoxu; Bessa, Miguel A.; Xia, Wenjie; ...

2016-12-06

Predicting the macroscopic fracture energy of highly crosslinked glassy polymers from atomistic simulations is challenging due to the size of the process zone being large in these systems. Here, we present a scale-bridging approach that links atomistic molecular dynamics simulations to macroscopic fracture properties on the basis of a continuum fracture mechanics model for two different epoxy materials. Our approach reveals that the fracture energy of epoxy resins strongly depends on the functionality of epoxy resin and the component ratio between the curing agent (amine) and epoxide. The most intriguing part of our study is that we demonstrate that themore » fracture energy exhibits a maximum value within the range of conversion degrees considered (from 65% to 95%), which can be attributed to the combined effects of structural rigidity and post-yield deformability. Our study provides physical insight into the molecular mechanisms that govern the fracture characteristics of epoxy resins and demonstrates the success of utilizing atomistic molecular simulations towards predicting macroscopic material properties.« less

Predicting the Macroscopic Fracture Energy of Epoxy Resins from Atomistic Molecular Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Zhaoxu; Bessa, Miguel A.; Xia, Wenjie

Predicting the macroscopic fracture energy of highly crosslinked glassy polymers from atomistic simulations is challenging due to the size of the process zone being large in these systems. Here, we present a scale-bridging approach that links atomistic molecular dynamics simulations to macroscopic fracture properties on the basis of a continuum fracture mechanics model for two different epoxy materials. Our approach reveals that the fracture energy of epoxy resins strongly depends on the functionality of epoxy resin and the component ratio between the curing agent (amine) and epoxide. The most intriguing part of our study is that we demonstrate that themore » fracture energy exhibits a maximum value within the range of conversion degrees considered (from 65% to 95%), which can be attributed to the combined effects of structural rigidity and post-yield deformability. Our study provides physical insight into the molecular mechanisms that govern the fracture characteristics of epoxy resins and demonstrates the success of utilizing atomistic molecular simulations towards predicting macroscopic material properties.« less

Understanding InP Nanowire Array Solar Cell Performance by Nanoprobe-Enabled Single Nanowire Measurements.

PubMed

Otnes, Gaute; Barrigón, Enrique; Sundvall, Christian; Svensson, K Erik; Heurlin, Magnus; Siefer, Gerald; Samuelson, Lars; Åberg, Ingvar; Borgström, Magnus T

2018-05-09

III-V solar cells in the nanowire geometry might hold significant synthesis-cost and device-design advantages as compared to thin films and have shown impressive performance improvements in recent years. To continue this development there is a need for characterization techniques giving quick and reliable feedback for growth development. Further, characterization techniques which can improve understanding of the link between nanowire growth conditions, subsequent processing, and solar cell performance are desired. Here, we present the use of a nanoprobe system inside a scanning electron microscope to efficiently contact single nanowires and characterize them in terms of key parameters for solar cell performance. Specifically, we study single as-grown InP nanowires and use electron beam induced current characterization to understand the charge carrier collection properties, and dark current-voltage characteristics to understand the diode recombination characteristics. By correlating the single nanowire measurements to performance of fully processed nanowire array solar cells, we identify how the performance limiting parameters are related to growth and/or processing conditions. We use this understanding to achieve a more than 7-fold improvement in efficiency of our InP nanowire solar cells, grown from a different seed particle pattern than previously reported from our group. The best cell shows a certified efficiency of 15.0%; the highest reported value for a bottom-up synthesized InP nanowire solar cell. We believe the presented approach have significant potential to speed-up the development of nanowire solar cells, as well as other nanowire-based electronic/optoelectronic devices.

Silicon nanowire synthesis by a vapor-liquid-solid approach.

PubMed

Mao, Aaron; Ng, H T; Nguyen, Pho; McNeil, Melanie; Meyyappan, M

2005-05-01

Synthesis of silicon nanowires is studied by using a vapor-liquid-solid growth technique. Silicon tetrachloride reduction with hydrogen in the gas phase is used with gold serving as catalyst to facilitate growth. Only a narrow set of conditions of SiCl4 concentration and temperature yield straight nanowires. High concentrations and temperatures generally result in particulates, catalyst coverage and deactivation, and coatinglike materials.

Silicon nanowire synthesis by a vapor-liquid-solid approach

NASA Technical Reports Server (NTRS)

Mao, Aaron; Ng, H. T.; Nguyen, Pho; McNeil, Melanie; Meyyappan, M.

2005-01-01

Synthesis of silicon nanowires is studied by using a vapor-liquid-solid growth technique. Silicon tetrachloride reduction with hydrogen in the gas phase is used with gold serving as catalyst to facilitate growth. Only a narrow set of conditions of SiCl4 concentration and temperature yield straight nanowires. High concentrations and temperatures generally result in particulates, catalyst coverage and deactivation, and coatinglike materials.

A theoretical approach to study the melting temperature of metallic nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arora, Neha; Joshi, Deepika P.

2016-05-23

The physical properties of any material change with the change of its size from bulk range to nano range. A theoretical study to account for the size and shape effect on melting temperature of metallic nanowires has been done. We have studied zinc (Zn), indium (In), lead (Pb) and tin (Sn) nanowires with three different cross sectional shapes like regular triangular, square and regular hexagonal. Variation of melting temperature with the size and shape is graphically represented with the available experimental data. It was found that melting temperature of the nanowires decreases with decrement in the size of nanowire, duemore » to surface effect and at very small size the most probable shape also varies with material.« less

A ZnO nanowire resistive switch

NASA Astrophysics Data System (ADS)

Karthik, K. R. G.; Ramanujam Prabhakar, Rajiv; Hai, L.; Batabyal, Sudip K.; Huang, Y. Z.; Mhaisalkar, S. G.

2013-09-01

An individual ZnO nanowire resistive switch is evaluated with Pt/ZnO nanowire/Pt topology. A detailed DC I-V curve analysis is performed to bring both the conduction mechanism and the device characteristics to light. The device is further studied at various vacuum pressures to ascertain the presence of polar charges in ZnO nanowires as the phenomenon leading to the formation of the switch. The disappearance of the resistive switching is also analyzed with two kinds of fabrication approaches Focused Ion/Electron Beam involved in the making the device and a summary of both length and fabrication dependences of resistive switching in the ZnO nanowire is presented.

Inter-ribbon tunneling in graphene: An atomistic Bardeen approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van de Put, Maarten L., E-mail: maarten.vandeput@uantwerpen.be; Magnus, Wim; imec, B-3001 Heverlee

A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases inmore » current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states.« less

III-Nitride Nanowire Lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wright, Jeremy Benjamin

2014-07-01

In recent years there has been a tremendous interest in nanoscale optoelectronic devices. Among these devices are semiconductor nanowires whose diameters range from 10-100 nm. To date, nanowires have been grown using many semiconducting material systems and have been utilized as light emitting diodes, photodetectors, and solar cells. Nanowires possess a relatively large index contrast relative to their dielectric environment and can be used as lasers. A key gure of merit that allows for nanowire lasing is the relatively high optical con nement factor. In this work, I discuss the optical characterization of 3 types of III-nitride nanowire laser devices.more » Two devices were designed to reduce the number of lasing modes to achieve singlemode operation. The third device implements low-group velocity mode lasing with a photonic crystal constructed of an array of nanowires. Single-mode operation is necessary in any application where high beam quality and single frequency operation is required. III-Nitride nanowire lasers typically operate in a combined multi-longitudinal and multi-transverse mode state. Two schemes are introduced here for controlling the optical modes and achieving single-mode op eration. The rst method involves reducing the diameter of individual nanowires to the cut-o condition, where only one optical mode propagates in the wire. The second method employs distributed feedback (DFB) to achieve single-mode lasing by placing individual GaN nanowires onto substrates with etched gratings. The nanowire-grating substrate acted as a distributed feedback mirror producing single mode operation at 370 nm with a mode suppression ratio (MSR) of 17 dB. The usage of lasers for solid state lighting has the potential to further reduce U.S. lighting energy usage through an increase in emitter e ciency. Advances in nanowire fabrication, speci cally a two-step top-down approach, have allowed for the demonstration of a multi-color array of lasers on a single chip that

A novel approach to the investigation of passive molecular permeation through lipid bilayers from atomistic simulations.

PubMed

Ghaemi, Zhaleh; Minozzi, Manuela; Carloni, Paolo; Laio, Alessandro

2012-07-26

Predicting the permeability coefficient (P) of drugs permeating through the cell membrane is of paramount importance in drug discovery. We here propose an approach for calculating P based on bias-exchange metadynamics. The approach allows constructing from atomistic simulations a model of permeation taking explicitly into account not only the "trivial" reaction coordinate, the position of the drug along the direction normal to the lipid membrane plane, but also other degrees of freedom, for example, the torsional angles of the permeating molecule, or variables describing its solvation/desolvation. This allows deriving an accurate picture of the permeation process, and constructing a detailed molecular model of the transition state, making a rational control of permeation properties possible. We benchmarked this approach on the permeation of ethanol molecules through a POPC membrane, showing that the value of P calculated with our model agrees with the one calculated by a long unbiased molecular dynamics of the same system.

Scalable Top-Down Approach Tailored by Interferometric Lithography to Achieve Large-Area Single-Mode GaN Nanowire Laser Arrays on Sapphire Substrate.

PubMed

Behzadirad, Mahmoud; Nami, Mohsen; Wostbrock, Neal; Zamani Kouhpanji, Mohammad Reza; Feezell, Daniel F; Brueck, Steven R J; Busani, Tito

2018-03-27

GaN nanowires are promising for optical and optoelectronic applications because of their waveguiding properties and large optical band gap. However, developing a precise, scalable, and cost-effective fabrication method with a high degree of controllability to obtain high-aspect-ratio nanowires with high optical properties and minimum crystal defects remains a challenge. Here, we present a scalable two-step top-down approach using interferometric lithography, for which parameters can be controlled precisely to achieve highly ordered arrays of nanowires with excellent quality and desired aspect ratios. The wet-etch mechanism is investigated, and the etch rates of m-planes {11̅00} (sidewalls) were measured to be 2.5 to 70 nm/h depending on the Si doping concentration. Using this method, uniform nanowire arrays were achieved over a large area (>10 5 μm 2 ) with an spect ratio as large as 50, a radius as small as 17 nm, and atomic-scale sidewall roughness (<1 nm). FDTD modeling demonstrated HE 11 is the dominant transverse mode in the nanowires with a radius of sub-100 nm, and single-mode lasing from vertical cavity nanowire arrays with different doping concentrations on a sapphire substrate was interestingly observed in photoluminescence measurements. High Q-factors of ∼1139-2443 were obtained in nanowire array lasers with a radius and length of 65 nm and 2 μm, respectively, corresponding to a line width of 0.32-0.15 nm (minimum threshold of 3.31 MW/cm 2 ). Our results show that fabrication of high-quality GaN nanowire arrays with adaptable aspect ratio and large-area uniformity is feasible through a top-down approach using interferometric lithography and is promising for fabrication of III-nitride-based nanophotonic devices (radial/axial) on the original substrate.

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

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

A generic approach for vertical integration of nanowires.

PubMed

Latu-Romain, E; Gilet, P; Noel, P; Garcia, J; Ferret, P; Rosina, M; Feuillet, G; Lévy, F; Chelnokov, A

2008-08-27

We report on the collective integration technology of vertically aligned nanowires (NWs). Si and ZnO NWs have been used in order to develop a generic technological process. Both mineral and organic planarizations of the as-grown nanowires have been achieved. Chemical vapour deposition (CVD) oxides, spin on glass (SOG), and polymer have been investigated as filling materials. Polishing and/or etching of the composite structures have been set up so as to obtain a suitable morphology for the top and bottom electrical contacts. Electrical and optical characterizations of the integrated NWs have been performed. Contacts ohmicity has been demonstrated and specific contact resistances have been reported. The photoconducting properties of polymer-integrated ZnO NWs have also been investigated in the UV-visible range through collective electrical contacts. A small increase of the resistivity in the ZnO NWs under sub-bandgap illumination has been observed and discussed. A comparison of the photoluminescence (PL) spectra at 300 K of the as-grown and SOG-integrated ZnO nanowires has shown no significant impact of the integration process on the crystal quality of the NWs.

Transport properties of Sb-doped Si nanowires

NASA Astrophysics Data System (ADS)

Nukala, Prathyusha; Sapkota, Gopal; Gali, Pradeep; Philipose, U.

2012-08-01

We present a safe and cost-effective approach for synthesis of n-type Sb-doped Si nanowires. The nanowires were synthesized at ambient pressure using SiCl4 as Si source and pure Sb as the dopant source. Structural and compositional characterization using electron microscopy and X-ray spectroscopy show crystalline nanowires with lengths of 30-40 μm and diameters of 40-100 nm. A 3-4 nm thick amorphous oxide shell covers the surface of the nanowire, post-growth. The composition of this shell was confirmed by Raman spectroscopy. Growth of Si nanowires, followed by low temperature annealing in Sb vapor, was shown to be an effective technique for synthesizing Sb-doped Si nanowires. The doping concentration of Sb was found to be dependent on temperature, with Sb re-evaporating from the Si nanowire at higher doping temperatures. Field effect transistors (FETs) were fabricated to investigate the electrical transport properties of these nanowires. The as-grown Si nanowires were found to be p-type with a channel mobility of 40 cm2 V-1 s-1. After doping with Sb, these nanowires exhibited n-type behavior. The channel mobility and carrier concentration of the Sb-doped Si nanowires were estimated to be 288 cm2 V-1 s-1 and 5.3×1018 cm-3 respectively.

Real-Time Examination of Atomistic Mechanisms during Shock-Induced Structural Transformation in Silicon

DOE PAGES

Turneaure, Stefan J.; Sinclair, N.; Gupta, Y. M.

2016-07-20

Experimental determination of atomistic mechanisms linking crystal structures during a compression driven solid-solid phase transformation is a long standing and challenging scientific objective. Also, when using new capabilities at the Dynamic Compression Sector at the Advanced Photon Source, the structure of shocked Si at 19 GPa was identified as simple hexagonal and the lattice orientations between ambient cubic diamond and simple hexagonal structures were related. Furthermore, this approach is general and provides a powerful new method for examining atomistic mechanisms during stress-induced structural changes.

Single conducting polymer nanowire based conductometric sensors

NASA Astrophysics Data System (ADS)

Bangar, Mangesh Ashok

The detection of toxic chemicals, gases or biological agents at very low concentrations with high sensitivity and selectivity has been subject of immense interest. Sensors employing electrical signal readout as transduction mechanism offer easy, label-free detection of target analyte in real-time. Traditional thin film sensors inherently suffered through loss of sensitivity due to current shunting across the charge depleted/added region upon analyte binding to the sensor surface, due to their large cross sectional area. This limitation was overcome by use of nanostructure such as nanowire/tube as transducer where current shunting during sensing was almost eliminated. Due to their benign chemical/electrochemical fabrication route along with excellent electrical properties and biocompatibility, conducting polymers offer cost-effective alternative over other nanostructures. Biggest obstacle in using these nanostructures is lack of easy, scalable and cost-effective way of assembling these nanostructures on prefabricated micropatterns for device fabrication. In this dissertation, three different approaches have been taken to fabricate individual or array of single conducting polymer (and metal) nanowire based devices and using polymer by itself or after functionalization with appropriate recognition molecule they have been applied for gas and biochemical detection. In the first approach electrochemical fabrication of multisegmented nanowires with middle functional Ppy segment along with ferromagnetic nickel (Ni) and end gold segments for better electrical contact was studied. This multi-layered nanowires were used along with ferromagnetic contact electrode for controlled magnetic assembly of nanowires into devices and were used for ammonia gas sensing. The second approach uses conducting polymer, polypyrrole (Ppy) nanowires using simple electrophoretic alignment and maskless electrodeposition to anchor nanowire which were further functionalized with antibodies against

Atomistic modeling for interfacial properties of Ni-Al-V ternary system

NASA Astrophysics Data System (ADS)

Dong, Wei-ping; Lee, Byeong-Joo; Chen, Zheng

2014-05-01

Interatomic potentials for Ni-Al-V ternary systems have been developed based on the second-nearest-neighbor modified embedded-atom method potential formalism. The potentials can describe various fundamental physical properties of the relevant materials in good agreement with experimental information. The potential is utilized for an atomistic computation of interfacial properties of Ni-Al-V alloys. It is found that vanadium atoms segregate on the γ-fcc/L12 interface and this segregation affects the interfacial properties. The applicability of the atomistic approach to an elaborate alloy design of advanced Ni-based superalloys through the investigation of the effect of alloying elements on interfacial properties is discussed.

Phase transformations at interfaces: Observations from atomistic modeling

DOE PAGES

Frolov, T.; Asta, M.; Mishin, Y.

2016-10-01

Here, we review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from suchmore » simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.« less

Accurate atomistic first-principles calculations of electronic stopping

DOE PAGES

Schleife, André; Kanai, Yosuke; Correa, Alfredo A.

2015-01-20

In this paper, we show that atomistic first-principles calculations based on real-time propagation within time-dependent density functional theory are capable of accurately describing electronic stopping of light projectile atoms in metal hosts over a wide range of projectile velocities. In particular, we employ a plane-wave pseudopotential scheme to solve time-dependent Kohn-Sham equations for representative systems of H and He projectiles in crystalline aluminum. This approach to simulate nonadiabatic electron-ion interaction provides an accurate framework that allows for quantitative comparison with experiment without introducing ad hoc parameters such as effective charges, or assumptions about the dielectric function. Finally, our work clearlymore » shows that this atomistic first-principles description of electronic stopping is able to disentangle contributions due to tightly bound semicore electrons and geometric aspects of the stopping geometry (channeling versus off-channeling) in a wide range of projectile velocities.« less

Thermoelectric Properties of Topological Crystalline Insulator Nanowires

NASA Astrophysics Data System (ADS)

Xu, Enzhi

Bulk lead telluride (PbTe) and its alloy compounds are well-known thermoelectric materials for electric power generation. Tin telluride (SnTe) which has the same rock-salt crystalline structure as PbTe has recently been demonstrated to host unique topological surface states that may favor improved thermoelectric properties. In this thesis work, we studied the thermoelectric properties of single-crystalline nanowires of the SnTe family compounds, i.e. undoped SnTe, PbTe, (Sn,Pb)Te alloy, and In-doped SnTe, all of which were grown by a vapor transport approach. We measured the thermopower S, electrical conductivity sigma and thermal conductivity kappa on each individual nanowire over a temperature range of 25 - 300 K, from which the thermoelectric figures of merit ZTs were determined. In comparison to PbTe nanowires, SnTe and (Sn,Pb)Te has lower thermopower but significantly higher electrical conductivity. Both SnTe and (Sn,Pb)Te nanowires showed enhanced thermopower and suppressed thermal conductivity, compared to their bulk counterparts. The enhancement of thermopower may result from the existence of topological surface states, while the suppression of thermal conductivity may relate to the increased phonon-surface scattering in nanowires. Moreover, indium doping suppresses both electrical and thermal conductivities but enhances thermopower, yielding an improved figure of merit ZT. Our results highlight nanostructuring in combination with alloying or doping as an important approach to enhancing thermoelectric properties. In spite of excellent thermoelectric properties and robust topological surface states, we found that the nanowire surface is subject to fast oxidation. In particular, we demonstrated that exposure of In-doped SnTe nanowires to air leads to surface oxidation within only one minute. Transmission electron microscopy characterization suggests the amorphous nature of the surface, and X-ray photoelectron spectroscopy studies identify the oxide species on

Understanding materials behavior from atomistic simulations: Case study of al-containing high entropy alloys and thermally grown aluminum oxide

NASA Astrophysics Data System (ADS)

Yinkai Lei

Atomistic simulation refers to a set of simulation methods that model the materials on the atomistic scale. These simulation methods are faster and cheaper alternative approaches to investigate thermodynamics and kinetics of materials compared to experiments. In this dissertation, atomistic simulation methods have been used to study the thermodynamic and kinetic properties of two material systems, i.e. the entropy of Al-containing high entropy alloys (HEAs) and the vacancy migration energy of thermally grown aluminum oxide. (Abstract shortened by ProQuest.).

Free energy of steps using atomistic simulations

NASA Astrophysics Data System (ADS)

Freitas, Rodrigo; Frolov, Timofey; Asta, Mark

The properties of solid-liquid interfaces are known to play critical roles in solidification processes. Particularly special importance is given to thermodynamic quantities that describe the equilibrium state of these surfaces. For example, on the solid-liquid-vapor heteroepitaxial growth of semiconductor nanowires the crystal nucleation process on the faceted solid-liquid interface is influenced by the solid-liquid and vapor-solid interfacial free energies, and also by the free energies of associated steps at these faceted interfaces. Crystal-growth theories and mesoscale simulation methods depend on quantitative information about these properties, which are often poorly characterized from experimental measurements. In this work we propose an extension of the capillary fluctuation method for calculation of the free energy of steps on faceted crystal surfaces. From equilibrium atomistic simulations of steps on (111) surfaces of Copper we computed accurately the step free energy for different step orientations. We show that the step free energy remains finite at all temperature up to the melting point and that the results obtained agree with the more well established method of thermodynamic integration if finite size effects are taken into account. The research of RF and MA at UC Berkeley were supported by the US National Science Foundation (Grant No. DMR-1105409). TF acknowledges support through a postdoctoral fellowship from the Miller Institute for Basic Research in Science.

Transformation of bulk alloys to oxide nanowires

NASA Astrophysics Data System (ADS)

Lei, Danni; Benson, Jim; Magasinski, Alexandre; Berdichevsky, Gene; Yushin, Gleb

2017-01-01

One dimensional (1D) nanostructures offer prospects for enhancing the electrical, thermal, and mechanical properties of a broad range of functional materials and composites, but their synthesis methods are typically elaborate and expensive. We demonstrate a direct transformation of bulk materials into nanowires under ambient conditions without the use of catalysts or any external stimuli. The nanowires form via minimization of strain energy at the boundary of a chemical reaction front. We show the transformation of multimicrometer-sized particles of aluminum or magnesium alloys into alkoxide nanowires of tunable dimensions, which are converted into oxide nanowires upon heating in air. Fabricated separators based on aluminum oxide nanowires enhanced the safety and rate capabilities of lithium-ion batteries. The reported approach allows ultralow-cost scalable synthesis of 1D materials and membranes.

EDITORIAL: Nanowires for energy Nanowires for energy

NASA Astrophysics Data System (ADS)

LaPierre, Ray; Sunkara, Mahendra

2012-05-01

This special issue of Nanotechnology focuses on studies illustrating the application of nanowires for energy including solar cells, efficient lighting and water splitting. Over the next three decades, nanotechnology will make significant contributions towards meeting the increased energy needs of the planet, now known as the TeraWatt challenge. Nanowires in particular are poised to contribute significantly in this development as presented in the review by Hiralal et al [1]. Nanowires exhibit light trapping properties that can act as a broadband anti-reflection coating to enhance the efficiency of solar cells. In this issue, Li et al [2] and Wang et al [3] present the optical properties of silicon nanowire and nanocone arrays. In addition to enhanced optical properties, core-shell nanowires also have the potential for efficient charge carrier collection across the nanowire diameter as presented in the contribution by Yu et al [4] for radial junction a-Si solar cells. Hybrid approaches that combine organic and inorganic materials also have potential for high efficiency photovoltaics. A Si-based hybrid solar cell is presented by Zhang et al [5] with a photoconversion efficiency of over 7%. The quintessential example of hybrid solar cells is the dye-sensitized solar cell (DSSC) where an organic absorber (dye) coats an inorganic material (typically a ZnO nanostructure). Herman et al [6] present a method of enhancing the efficiency of a DSSC by increasing the hetero-interfacial area with a unique hierarchical weeping willow ZnO structure. The increased surface area allows for higher dye loading, light harvesting, and reduced charge recombination through direct conduction along the ZnO branches. Another unique ZnO growth method is presented by Calestani et al [7] using a solution-free and catalyst-free approach by pulsed electron deposition (PED). Nanowires can also make more efficient use of electrical power. Light emitting diodes, for example, will eventually become the

Epitaxy of advanced nanowire quantum devices

NASA Astrophysics Data System (ADS)

Gazibegovic, Sasa; Car, Diana; Zhang, Hao; Balk, Stijn C.; Logan, John A.; de Moor, Michiel W. A.; Cassidy, Maja C.; Schmits, Rudi; Xu, Di; Wang, Guanzhong; Krogstrup, Peter; Op Het Veld, Roy L. M.; Zuo, Kun; Vos, Yoram; Shen, Jie; Bouman, Daniël; Shojaei, Borzoyeh; Pennachio, Daniel; Lee, Joon Sue; van Veldhoven, Petrus J.; Koelling, Sebastian; Verheijen, Marcel A.; Kouwenhoven, Leo P.; Palmstrøm, Chris J.; Bakkers, Erik P. A. M.

2017-08-01

Semiconductor nanowires are ideal for realizing various low-dimensional quantum devices. In particular, topological phases of matter hosting non-Abelian quasiparticles (such as anyons) can emerge when a semiconductor nanowire with strong spin-orbit coupling is brought into contact with a superconductor. To exploit the potential of non-Abelian anyons—which are key elements of topological quantum computing—fully, they need to be exchanged in a well-controlled braiding operation. Essential hardware for braiding is a network of crystalline nanowires coupled to superconducting islands. Here we demonstrate a technique for generic bottom-up synthesis of complex quantum devices with a special focus on nanowire networks with a predefined number of superconducting islands. Structural analysis confirms the high crystalline quality of the nanowire junctions, as well as an epitaxial superconductor-semiconductor interface. Quantum transport measurements of nanowire ‘hashtags’ reveal Aharonov-Bohm and weak-antilocalization effects, indicating a phase-coherent system with strong spin-orbit coupling. In addition, a proximity-induced hard superconducting gap (with vanishing sub-gap conductance) is demonstrated in these hybrid superconductor-semiconductor nanowires, highlighting the successful materials development necessary for a first braiding experiment. Our approach opens up new avenues for the realization of epitaxial three-dimensional quantum architectures which have the potential to become key components of various quantum devices.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liao, Gaohua; Department of Applied Physics and Key Laboratory for Micro-Nano Physics and Technology of Hunan Province, Hunan University, Changsha 410082; Luo, Ning

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 showmore » 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

Modification of SiO2 nanowires with metallic nanocrystals from supercritical CO2.

PubMed

Ye, Xiang-Rong; Zhang, Hai-Feng; Lin, Yuehe; Wang, Lai-Sheng; Wai, Chien M

2004-01-01

Through hydrogen reduction of metal precursors in supercritical CO2, Cu, and Pd, nanocrystals were deposited onto SiO2 nanowires to form different types of nanostructured materials, including nanocrystal-nanowire, spherical aggregation-nanowire, shell-nanowire composites, and "mesoporous" metals supported by the framework of nanowires. This supercritical fluid deposition technique is an attractive approach for modifying nanowires because of its generality and simplicity; the modified nanowires could be useful as catalysts and for further fabrication of multifunctional composites.

Transformation of bulk alloys to oxide nanowires.

PubMed

Lei, Danni; Benson, Jim; Magasinski, Alexandre; Berdichevsky, Gene; Yushin, Gleb

2017-01-20

One dimensional (1D) nanostructures offer prospects for enhancing the electrical, thermal, and mechanical properties of a broad range of functional materials and composites, but their synthesis methods are typically elaborate and expensive. We demonstrate a direct transformation of bulk materials into nanowires under ambient conditions without the use of catalysts or any external stimuli. The nanowires form via minimization of strain energy at the boundary of a chemical reaction front. We show the transformation of multimicrometer-sized particles of aluminum or magnesium alloys into alkoxide nanowires of tunable dimensions, which are converted into oxide nanowires upon heating in air. Fabricated separators based on aluminum oxide nanowires enhanced the safety and rate capabilities of lithium-ion batteries. The reported approach allows ultralow-cost scalable synthesis of 1D materials and membranes. Copyright © 2017, American Association for the Advancement of Science.

Solar heating of GaAs nanowire solar cells.

PubMed

Wu, Shao-Hua; Povinelli, Michelle L

2015-11-30

We use a coupled thermal-optical approach to model the operating temperature rise in GaAs nanowire solar cells. We find that despite more highly concentrated light absorption and lower thermal conductivity, the overall temperature rise in a nanowire structure is no higher than in a planar structure. Moreover, coating the nanowires with a transparent polymer can increase the radiative cooling power by 2.2 times, lowering the operating temperature by nearly 7 K.

Solar heating of GaAs nanowire solar cells

DOE PAGES

Wu, Shao-Hua; Povinelli, Michelle L.

2015-09-25

We use a coupled thermal-optical approach to model the operating temperature rise in GaAs nanowire solar cells. Our findings show that despite more highly concentrated light absorption and lower thermal conductivity, the overall temperature rise in a nanowire structure is no higher than in a planar structure. Moreover, coating the nanowires with a transparent polymer can increase the radiative cooling power by 2.2 times, lowering the operating temperature by nearly 7 K.

Flexible inorganic light emitting diodes based on semiconductor nanowires

PubMed Central

Guan, Nan; Dai, Xing; Babichev, Andrey V.; Julien, François H.

2017-01-01

The fabrication technologies and the performance of flexible nanowire light emitting diodes (LEDs) are reviewed. We first introduce the existing approaches for flexible LED fabrication, which are dominated by organic technologies, and we briefly discuss the increasing research effort on flexible inorganic LEDs achieved by micro-structuring and transfer of conventional thin films. Then, flexible nanowire-based LEDs are presented and two main fabrication technologies are discussed: direct growth on a flexible substrate and nanowire membrane formation and transfer. The performance of blue, green, white and bi-color flexible LEDs fabricated following the transfer approach is discussed in more detail. PMID:29568439

Single n+-i-n+ InP nanowires for highly sensitive terahertz detection.

PubMed

Peng, Kun; Parkinson, Patrick; Gao, Qian; Boland, Jessica L; Li, Ziyuan; Wang, Fan; Mokkapati, Sudha; Fu, Lan; Johnston, Michael B; Tan, Hark Hoe; Jagadish, Chennupati

2017-03-24

Developing single-nanowire terahertz (THz) electronics and employing them as sub-wavelength components for highly-integrated THz time-domain spectroscopy (THz-TDS) applications is a promising approach to achieve future low-cost, highly integrable and high-resolution THz tools, which are desirable in many areas spanning from security, industry, environmental monitoring and medical diagnostics to fundamental science. In this work, we present the design and growth of n + -i-n + InP nanowires. The axial doping profile of the n + -i-n + InP nanowires has been calibrated and characterized using combined optical and electrical approaches to achieve nanowire devices with low contact resistances, on which the highly-sensitive InP single-nanowire photoconductive THz detectors have been demonstrated. While the n + -i-n + InP nanowire detector has a only pA-level response current, it has a 2.5 times improved signal-to-noise ratio compared with the undoped InP nanowire detector and is comparable to traditional bulk THz detectors. This performance indicates a promising path to nanowire-based THz electronics for future commercial applications.

Optical design of nanowire absorbers for wavelength selective photodetectors

PubMed Central

Mokkapati, S.; Saxena, D.; Tan, H. H.; Jagadish, C.

2015-01-01

We propose the optical design for the absorptive element of photodetectors to achieve wavelength selective photo response based on resonant guided modes supported in semiconductor nanowires. We show that the waveguiding properties of nanowires result in very high absorption efficiency that can be exploited to reduce the volume of active semiconductor compared to planar photodetectors, without compromising the photocurrent. We present a design based on a group of nanowires with varying diameter for multi-color photodetectors with small footprint. We discuss the effect of a dielectric shell around the nanowires on the absorption efficiency and present a simple approach to optimize the nanowire diameter-dielectric shell thickness for maximizing the absorption efficiency. PMID:26469227

Highly Efficient Surface Enhanced Raman Scattering (SERS) Nanowire/Ag Composites

DTIC Science & Technology

2007-01-01

nanowires are sensitive at low concen- trations, quite repeatable, and inexpensive to produce. Technical Approach: The growth of the Ga2O3 nanowires was...DNT/methanol dilutions. The Ga2O3 /Ag nanowire composite substrates are shown in Fig. 8(a). As can be seen, they consist of a dense random 3D...MATERIALS SCIENCE AND TECHNOLOGY FIGURE 8 (a) Ga2O3 core/Ag shell nanowire composite and (b) comparison of SERS signal for Mesophotonics “Klarite

Crystalline cellulose elastic modulus predicted by atomistic models of uniform deformation and nanoscale indentation

Treesearch

Xiawa Wu; Robert J. Moon; Ashlie Martini

2013-01-01

The elastic modulus of cellulose Iß in the axial and transverse directions was obtained from atomistic simulations using both the standard uniform deformation approach and a complementary approach based on nanoscale indentation. This allowed comparisons between the methods and closer connectivity to experimental measurement techniques. A reactive...

Growth of metal oxide nanowires from supercooled liquid nanodroplets.

PubMed

Kim, Myung Hwa; Lee, Byeongdu; Lee, Sungsik; Larson, Christopher; Baik, Jeong Min; Yavuz, Cafer T; Seifert, Sönke; Vajda, Stefan; Winans, Randall E; Moskovits, Martin; Stucky, Galen D; Wodtke, Alec M

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(2), V(2)O(5), RuO(2), MoO(2), MoO(3), and Fe(3)O(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(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.

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.

Atomistic origin of superior performance of ionic liquid electrolytes for Al-ion batteries.

PubMed

Kamath, Ganesh; Narayanan, Badri; Sankaranarayanan, Subramanian K R S

2014-10-14

Encouraged by recent experimental findings, here we report on an in silico investigation to probe the atomistic origin behind the superior performance of ionic liquids (ILs) over traditional carbonate electrolytes for Al-ion batteries. Fundamental insights from computationally derived thermodynamic and kinetic considerations coupled with an atomistic-level description of the solvation dynamics is used to elucidate the performance improvements. The formation of low-stability ion-solvent complexes in ILs facilitates rapid Al-ion solvation-desolvation and translates into favorable transport properties (viscosity and ionic conductivity). Our results offer encouraging prospects for this approach in the a priori prediction of optimal IL formulations for Al-ion batteries.

Model of step propagation and step bunching at the sidewalls of nanowires

NASA Astrophysics Data System (ADS)

Filimonov, Sergey N.; Hervieu, Yuri Yu.

2015-10-01

Radial growth of vertically aligned nanowires involves formation and propagation of monoatomic steps at atomically smooth nanowire sidewalls. Here we study the step dynamics with a step flow model taking into account the presence of a strong sink for adatoms at top of the nanowire and adatom exchange between the nanowire sidewall and surrounding substrate surface. Analytical expressions for velocities of steps propagating from the nanowire base to the nanowire top are obtained. It is shown that the step approaching the nanowire top will slow down if the top nanowire facet is a stronger sink for adatoms than the sidewall step. This might trigger bunching of the steps at the sidewall resulting in development of the pencil-like shape of nanowires such as observed in, e.g., the Au-assisted MBE growth of InAs.

Impact of defects on the electrical transport, optical properties and failure mechanisms of GaN nanowires.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Armstrong, Andrew M.; Aubry, Sylvie; Shaner, Eric Arthur

2010-09-01

We present the results of a three year LDRD project that focused on understanding the impact of defects on the electrical, optical and thermal properties of GaN-based nanowires (NWs). We describe the development and application of a host of experimental techniques to quantify and understand the physics of defects and thermal transport in GaN NWs. We also present the development of analytical models and computational studies of thermal conductivity in GaN NWs. Finally, we present an atomistic model for GaN NW electrical breakdown supported with experimental evidence. GaN-based nanowires are attractive for applications requiring compact, high-current density devices such asmore » ultraviolet laser arrays. Understanding GaN nanowire failure at high-current density is crucial to developing nanowire (NW) devices. Nanowire device failure is likely more complex than thin film due to the prominence of surface effects and enhanced interaction among point defects. Understanding the impact of surfaces and point defects on nanowire thermal and electrical transport is the first step toward rational control and mitigation of device failure mechanisms. However, investigating defects in GaN NWs is extremely challenging because conventional defect spectroscopy techniques are unsuitable for wide-bandgap nanostructures. To understand NW breakdown, the influence of pre-existing and emergent defects during high current stress on NW properties will be investigated. Acute sensitivity of NW thermal conductivity to point-defect density is expected due to the lack of threading dislocation (TD) gettering sites, and enhanced phonon-surface scattering further inhibits thermal transport. Excess defect creation during Joule heating could further degrade thermal conductivity, producing a viscous cycle culminating in catastrophic breakdown. To investigate these issues, a unique combination of electron microscopy, scanning luminescence and photoconductivity implemented at the nanoscale will be

Fermi-level effects in semiconductor processing: A modeling scheme for atomistic kinetic Monte Carlo simulators

NASA Astrophysics Data System (ADS)

Martin-Bragado, I.; Castrillo, P.; Jaraiz, M.; Pinacho, R.; Rubio, J. E.; Barbolla, J.; Moroz, V.

2005-09-01

Atomistic process simulation is expected to play an important role for the development of next generations of integrated circuits. This work describes an approach for modeling electric charge effects in a three-dimensional atomistic kinetic Monte Carlo process simulator. The proposed model has been applied to the diffusion of electrically active boron and arsenic atoms in silicon. Several key aspects of the underlying physical mechanisms are discussed: (i) the use of the local Debye length to smooth out the atomistic point-charge distribution, (ii) algorithms to correctly update the charge state in a physically accurate and computationally efficient way, and (iii) an efficient implementation of the drift of charged particles in an electric field. High-concentration effects such as band-gap narrowing and degenerate statistics are also taken into account. The efficiency, accuracy, and relevance of the model are discussed.

Mechanical behavior enhancement of ZnO nanowire by embedding different nanowires

NASA Astrophysics Data System (ADS)

Vazinishayan, Ali; Yang, Shuming; Lambada, Dasaradha Rao; Wang, Yiming

2018-06-01

In this work, we employed commercial finite element modeling (FEM) software package ABAQUS to analyze mechanical properties of ZnO nanowire before and after embedding with different kinds of nanowires, having different materials and cross-section models such as Au (circular), Ag (pentagonal) and Si (rectangular) using three point bending technique. The length and diameter of the ZnO nanowire were measured to be 12,280 nm and 103.2 nm, respectively. In addition, Au, Ag and Si nanowires were considered to have the length of 12,280 nm and the diameter of 27 nm. It was found that after embedding Si nanowire with rectangular cross-section into the ZnO nanowire, the distribution of Von Misses stresses criterion, displacement and strain were decreased than the other nanowires embedded. The highest stiffness, the elastic deformation and the high strength against brittle failure have been made by Si nanowire comparison to the Au and Ag nanowires, respectively.

Understanding the vapor-liquid-solid growth and composition of ternary III-V nanowires and nanowire heterostructures

NASA Astrophysics Data System (ADS)

Dubrovskii, V. G.

2017-11-01

Based on the recent achievements in vapor-liquid-solid (VLS) synthesis, characterization and modeling of ternary III-V nanowires and axial heterostructures within such nanowires, we try to understand the major trends in their compositional evolution from a general theoretical perspective. Clearly, the VLS growth of ternary materials is much more complex than in standard vapor-solid epitaxy techniques, and even maintaining the necessary control over the composition of steady-state ternary nanowires is far from straightforward. On the other hand, VLS nanowires offer otherwise unattainable material combinations without introducing structural defects and hence are very promising for next-generation optoelectronic devices, in particular those integrated with a silicon electronic platform. In this review, we consider two main problems. First, we show how and by means of which parameters the steady-state composition of Au-catalyzed or self-catalyzed ternary III-V nanowires can be tuned to a desired value and why it is generally different from the vapor composition. Second, we present some experimental data and modeling results for the interfacial abruptness across axial nanowire heterostructures, both in Au-catalyzed and self-catalyzed VLS growth methods. Refined modeling allows us to formulate some general growth recipes for suppressing the unwanted reservoir effect in the droplet and sharpening the nanowire heterojunctions. We consider and refine two approaches developed to date, namely the regular crystallization model for a liquid alloy with a critical size of only one III-V pair at high supersaturations or classical binary nucleation theory with a macroscopic critical nucleus at modest supersaturations.

Literature review report on atomistic modeling tools for FeCrAl alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yongfeng; Schwen, Daniel; Martinez, Enrique

2015-12-01

This reports summarizes the literature review results on atomistic tools, particularly interatomic potentials used in molecular dynamics simulations, for FeCrAl ternary alloys. FeCrAl has recently been identified as a possible cladding concept for accident tolerant fuels for its superior corrosion resistance. Along with several other concepts, an initial evaluation and recommendation are desired for FeCrAl before it’s used in realistic fuels. For this purpose, sufficient understanding on the in-reactor behavior of FeCrAl needs to be grained in a relatively short timeframe, and multiscale modeling and simulations have been selected as an efficient measure to supplement experiments and in-reactor testing formore » better understanding on FeCrAl. For the limited knowledge on FeCrAl alloys, the multiscale modeling approach relies on atomistic simulations to obtain the missing material parameters and properties. As a first step, atomistic tools have to be identified and this is the purpose of the present report. It was noticed during the literature survey that no interatomic potentials currently available for FeCrAl. Here, we summarize the interatomic potentials available for FeCr alloys for possible molecular dynamics studies using FeCr as surrogate materials. Other atomistic methods such as lattice kinetic Monte Carlo are also included in this report. A couple of research topics at the atomic scale are suggested based on the literature survey.« less

Simultaneous thermoelectric and optoelectronic characterization of individual nanowires

DOE PAGES

Leonard, Francois; Wang, George T.; Swartzentruber, Brian S.; ...

2015-11-03

Semiconducting nanowires have been explored for a number of applications in optoelectronics such as photodetectors and solar cells. Currently, there is ample interest in identifying the mechanisms that lead to photoresponse in nanowires in order to improve and optimize performance. However, distinguishing among the different mechanisms, including photovoltaic, photothermoelectric, photoemission, bolometric, and photoconductive, is often difficult using purely optoelectronic measurements. In this work, we present an approach for performing combined and simultaneous thermoelectric and optoelectronic measurements on the same individual nanowire. We apply the approach to GaN/AlGaN core/shell and GaN/AlGaN/GaN core/shell/shell nanowires and demonstrate the photothermoelectric nature of the photocurrentmore » observed at the electrical contacts at zero bias, for above- and below-bandgap illumination. Furthermore, the approach allows for the experimental determination of the temperature rise due to laser illumination, which is often obtained indirectly through modeling. We also show that under bias, both above- and below-bandgap illumination leads to a photoresponse in the channel with signatures of persistent photoconductivity due to photogating. Finally, we reveal the concomitant presence of photothermoelectric and photogating phenomena at the contacts in scanning photocurrent microscopy under bias by using their different temporal response. Furthermore, our approach is applicable to a broad range of nanomaterials to elucidate their fundamental optoelectronic and thermoelectric properties.« less

Simultaneous Thermoelectric and Optoelectronic Characterization of Individual Nanowires.

PubMed

Léonard, François; Song, Erdong; Li, Qiming; Swartzentruber, Brian; Martinez, Julio A; Wang, George T

2015-12-09

Semiconducting nanowires have been explored for a number of applications in optoelectronics such as photodetectors and solar cells. Currently, there is ample interest in identifying the mechanisms that lead to photoresponse in nanowires in order to improve and optimize performance. However, distinguishing among the different mechanisms, including photovoltaic, photothermoelectric, photoemission, bolometric, and photoconductive, is often difficult using purely optoelectronic measurements. In this work, we present an approach for performing combined and simultaneous thermoelectric and optoelectronic measurements on the same individual nanowire. We apply the approach to GaN/AlGaN core/shell and GaN/AlGaN/GaN core/shell/shell nanowires and demonstrate the photothermoelectric nature of the photocurrent observed at the electrical contacts at zero bias, for above- and below-bandgap illumination. Furthermore, the approach allows for the experimental determination of the temperature rise due to laser illumination, which is often obtained indirectly through modeling. We also show that under bias, both above- and below-bandgap illumination leads to a photoresponse in the channel with signatures of persistent photoconductivity due to photogating. Finally, we reveal the concomitant presence of photothermoelectric and photogating phenomena at the contacts in scanning photocurrent microscopy under bias by using their different temporal response. Our approach is applicable to a broad range of nanomaterials to elucidate their fundamental optoelectronic and thermoelectric properties.

Flexible integration of free-standing nanowires into silicon photonics.

PubMed

Chen, Bigeng; Wu, Hao; Xin, Chenguang; Dai, Daoxin; Tong, Limin

2017-06-14

Silicon photonics has been developed successfully with a top-down fabrication technique to enable large-scale photonic integrated circuits with high reproducibility, but is limited intrinsically by the material capability for active or nonlinear applications. On the other hand, free-standing nanowires synthesized via a bottom-up growth present great material diversity and structural uniformity, but precisely assembling free-standing nanowires for on-demand photonic functionality remains a great challenge. Here we report hybrid integration of free-standing nanowires into silicon photonics with high flexibility by coupling free-standing nanowires onto target silicon waveguides that are simultaneously used for precise positioning. Coupling efficiency between a free-standing nanowire and a silicon waveguide is up to ~97% in the telecommunication band. A hybrid nonlinear-free-standing nanowires-silicon waveguides Mach-Zehnder interferometer and a racetrack resonator for significantly enhanced optical modulation are experimentally demonstrated, as well as hybrid active-free-standing nanowires-silicon waveguides circuits for light generation. These results suggest an alternative approach to flexible multifunctional on-chip nanophotonic devices.Precisely assembling free-standing nanowires for on-demand photonic functionality remains a challenge. Here, Chen et al. integrate free-standing nanowires into silicon waveguides and show all-optical modulation and light generation on silicon photonic chips.

Intrinsic polarization control in rectangular GaN nanowire lasers

DOE PAGES

Li, Changyi; Liu, Sheng; Luk, Ting S.; ...

2016-02-01

In this study, we demonstrate intrinsic, linearly polarized lasing from single GaN nanowires using cross-sectional shape control. A two-step top-down fabrication approach was employed to create straight nanowires with controllable rectangular cross-sections. A clear lasing threshold of 444kW/cm 2 and a narrow spectral line width of 0.16 nm were observed under optical pumping at room temperature, indicating the onset of lasing. The polarization was along the short dimension (y-direction) of the nanowire due to the higher transverse confinement factors for y-polarized transverse modes resulting from the rectangular nanowire cross-section. The results show that cross-sectioned shape control can enable inherent controlmore » over the polarization of nanowire lasers without additional environment requirements, such as placement onto lossy substrates.« less

Enhanced ionic conductivity of AgI nanowires/AAO composites fabricated by a simple approach.

PubMed

Liu, Li-Feng; Lee, Seung-Woo; Li, Jing-Bo; Alexe, Marin; Rao, Guang-Hui; Zhou, Wei-Ya; Lee, Jae-Jong; Lee, Woo; Gösele, Ulrich

2008-12-10

AgI nanowires/anodic aluminum oxide (AgI NWs/AAO) composites have been fabricated by a simple approach, which involves the thermal melting of AgI powders on the surface of the AAO membrane, followed by the infiltration of the molten AgI inside the nanochannels. As-prepared AgI nanowires have corrugated outer surfaces and are polycrystalline according to scanning electron microscopy (SEM) and transmission electron microscopy (TEM) observations. X-ray diffraction (XRD) shows that a considerable amount of 7H polytype AgI exists in the composites, which is supposed to arise from the interfacial interactions between the embedded AgI and the alumina. AC conductivity measurements for the AgI nanowires/AAO composites exhibit a notable conductivity enhancement by three orders of magnitude at room temperature compared with that of pristine bulk AgI. Furthermore, a large conductivity hysteresis and abnormal conductivity transitions were observed in the temperature-dependent conductivity measurements, from which an ionic conductivity as high as 8.0 × 10(2) Ω(-1) cm(-1) was obtained at around 70 °C upon cooling. The differential scanning calorimetry (DSC) result demonstrates a similar phase transition behavior as that found in the AC conductivity measurements. The enhanced ionic conductivity, as well as the abnormal phase transitions, can be explained in terms of the existence of the highly conducting 7H polytype AgI and the formation of well-defined conduction paths in the composites.

Semiconductor Nanowires and Nanotubes for Energy Conversion

NASA Astrophysics Data System (ADS)

Fardy, Melissa Anne

In recent years semiconductor nanowires and nanotubes have garnered increased attention for their unique properties. With their nanoscale dimensions comes high surface area and quantum confinement, promising enhancements in a wide range of applications. 1-dimensional nanostructures are especially attractive for energy conversion applications where photons, phonons, and electrons come into play. Since the bohr exciton radius and phonon and electron mean free paths are on the same length scales as nanowire diameters, optical, thermal, and electrical properties can be tuned by simple nanowire size adjustments. In addition, the high surface area inherent to nanowires and nanotubes lends them towards efficient charge separation and superior catalytic performance. In thermoelectric power generation, the nanoscale wire diameter can effectively scatter phonons, promoting reductions in thermal conductivity and enhancements in the thermoelectric figure of merit. To that end, single-crystalline arrays of PbS, PbSe, and PbTe nanowires have been synthesized by a chemical vapor transport approach. The electrical and thermal transport properties of the nanowires were characterized to investigate their potential as thermoelectric materials. Compared to bulk, the lead chalcogenide nanowires exhibit reduced thermal conductivity below 100 K by up to 3 orders of magnitude, suggesting that they may be promising thermoelectric materials. Smaller diameters and increased surface roughness are expected to give additional enhancements. The solution-phase synthesis of PbSe nanowires via oriented attachment of nanoparticles enables facile surface engineering and diameter control. Branched PbSe nanowires synthesized by this approach showed near degenerately doped charge carrier concentrations. Compared to the bulk, the PbSe nanowires exhibited a similar Seebeck coefficient and a significant reduction in thermal conductivity in the temperature range 20 K to 300 K. Thermal annealing of the Pb

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.

Construction of 3D Metallic Nanowire Arrays on Arbitrarily-Shaped Substrate.

NASA Astrophysics Data System (ADS)

Chen, Fei; Li, Jingning; Yu, Fangfang; Peng, Ru-Wen; Wang, Mu; Mu Wang Team

Formation of three-dimensional (3D) nanostructures is an important step of advanced manufacture for new concept devices with novel functionality. Despite of great achievements in fabricating nanostructures with state of the art lithography approaches, these nanostructures are normally limited on flat substrates. Up to now it remains challenging to build metallic nanostructures directly on a rough and bumpy surface. Here we demonstrate a unique approach to fabricate metallic nanowire arrays on an arbitrarily-shaped surface by electrodeposition, which is unknown before 2016. Counterintuitively here the growth direction of the nanowires is perpendicular to their longitudinal axis, and the specific geometry of nanowires can be achieved by introducing specially designed shaped substrate. The spatial separation and the width of the nanowires can be tuned by voltage, electrolyte concentration and temperature in electrodeposition. By taking cobalt nanowire array as an example, we demonstrate that head-to-head and tail-to-tail magnetic domain walls can be easily introduced and modulated in the nanowire arrays, which is enlightening to construct new devices such as domain wall racetrack memory. We acknowledge the foundation from MOST and NSF(China).

Length-dependent mechanical properties of gold nanowires

NASA Astrophysics Data System (ADS)

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

2012-12-01

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

Modeling the atomistic growth behavior of gold nanoparticles in solution

NASA Astrophysics Data System (ADS)

Turner, C. Heath; Lei, Yu; Bao, Yuping

2016-04-01

The properties of gold nanoparticles strongly depend on their three-dimensional atomic structure, leading to an increased emphasis on controlling and predicting nanoparticle structural evolution during the synthesis process. In order to provide this atomistic-level insight and establish a link to the experimentally-observed growth behavior, a kinetic Monte Carlo simulation (KMC) approach is developed for capturing Au nanoparticle growth characteristics. The advantage of this approach is that, compared to traditional molecular dynamics simulations, the atomistic nanoparticle structural evolution can be tracked on time scales that approach the actual experiments. This has enabled several different comparisons against experimental benchmarks, and it has helped transition the KMC simulations from a hypothetical toy model into a more experimentally-relevant test-bed. The model is initially parameterized by performing a series of automated comparisons of Au nanoparticle growth curves versus the experimental observations, and then the refined model allows for detailed structural analysis of the nanoparticle growth behavior. Although the Au nanoparticles are roughly spherical, the maximum/minimum dimensions deviate from the average by approximately 12.5%, which is consistent with the corresponding experiments. Also, a surface texture analysis highlights the changes in the surface structure as a function of time. While the nanoparticles show similar surface structures throughout the growth process, there can be some significant differences during the initial growth at different synthesis conditions.

Highly flexible, nonflammable and free-standing SiC nanowire paper

NASA Astrophysics Data System (ADS)

Chen, Jianjun; Liao, Xin; Wang, Mingming; Liu, Zhaoxiang; Zhang, Judong; Ding, Lijuan; Gao, Li; Li, Ye

2015-03-01

Flexible paper-like semiconductor nanowire materials are expected to meet the criteria for some emerging applications, such as components of flexible solar cells, electrical batteries, supercapacitors, nanocomposites, bendable or wearable electronic or optoelectronic components, and so on. As a new generation of wide-bandgap semiconductors and reinforcements in composites, SiC nanowires have advantages in power electronic applications and nanofiber reinforced ceramic composites. Herein, free-standing SiC nanowire paper consisting of ultralong single-crystalline SiC nanowires was prepared through a facile vacuum filtration approach. The ultralong SiC nanowires were synthesized by a sol-gel and carbothermal reduction method. The flexible paper composed of SiC nanowires is ~100 nm in width and up to several hundreds of micrometers in length. The nanowires are intertwisted with each other to form a three-dimensional network-like structure. SiC nanowire paper exhibits high flexibility and strong mechanical stability. The refractory performance and thermal stability of SiC nanowire paper were also investigated. The paper not only exhibits excellent nonflammability in fire, but also remains well preserved without visible damage when it is heated in an electric oven at a high temperature (1000 °C) for 3 h. With its high flexibility, excellent nonflammability, and high thermal stability, the free-standing SiC nanowire paper may have the potential to improve the ablation resistance of high temperature ceramic composites.Flexible paper-like semiconductor nanowire materials are expected to meet the criteria for some emerging applications, such as components of flexible solar cells, electrical batteries, supercapacitors, nanocomposites, bendable or wearable electronic or optoelectronic components, and so on. As a new generation of wide-bandgap semiconductors and reinforcements in composites, SiC nanowires have advantages in power electronic applications and nanofiber

Aluminum-catalyzed silicon nanowires: Growth methods, properties, and applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hainey, Mel F.; Redwing, Joan M.

Metal-mediated vapor-liquid-solid (VLS) growth is a promising approach for the fabrication of silicon nanowires, although residual metal incorporation into the nanowires during growth can adversely impact electronic properties particularly when metals such as gold and copper are utilized. Aluminum, which acts as a shallow acceptor in silicon, is therefore of significant interest for the growth of p-type silicon nanowires but has presented challenges due to its propensity for oxidation. This paper summarizes the key aspects of aluminum-catalyzed nanowire growth along with wire properties and device results. In the first section, aluminum-catalyzed nanowire growth is discussed with a specific emphasis onmore » methods to mitigate aluminum oxide formation. Next, the influence of growth parameters such as growth temperature, precursor partial pressure, and hydrogen partial pressure on nanowire morphology is discussed, followed by a brief review of the growth of templated and patterned arrays of nanowires. Aluminum incorporation into the nanowires is then discussed in detail, including measurements of the aluminum concentration within wires using atom probe tomography and assessment of electrical properties by four point resistance measurements. Finally, the use of aluminum-catalyzed VLS growth for device fabrication is reviewed including results on single-wire radial p-n junction solar cells and planar solar cells fabricated with nanowire/nanopyramid texturing.« less

Atomistic Monte Carlo Simulation of Lipid Membranes

PubMed Central

Wüstner, Daniel; Sklenar, Heinz

2014-01-01

Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches. We use our recently devised chain breakage/closure (CBC) local move set in the bond-/torsion angle space with the constant-bond-length approximation (CBLA) for the phospholipid dipalmitoylphosphatidylcholine (DPPC). We demonstrate rapid conformational equilibration for a single DPPC molecule, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol. PMID:24469314

Atomistic Simulation of High-Density Uranium Fuels

DOE PAGES

Garcés, Jorge Eduardo; Bozzolo, Guillermo

2011-01-01

We apply an atomistic modeling approach to deal with interfacial phenomena in high-density uranium fuels. The effects of Si, as additive to Al or as U-Mo-particles coating, on the behavior of the Al/U-Mo interface is modeled by using the Bozzolo-Ferrante-Smith (BFS) method for alloys. The basic experimental features characterizing the real system are identified, via simulations and atom-by-atom analysis. These include (1) the trend indicating formation of interfacial compounds, (2) much reduced diffusion of Al into U-Mo solid solution due to the high Si concentration, (3) Si depletion in the Al matrix, (4) an unexpected interaction between Mo and Simore » which inhibits Si diffusion to deeper layers in the U-Mo solid solution, and (5) the minimum amount of Si needed to perform as an effective diffusion barrier. Simulation results related to alternatives to Si dispersed in the Al matrix, such as the use of C coating of U-Mo particles or Zr instead of the Al matrix, are also shown. Recent experimental results confirmed early theoretical proposals, along the lines of the results reported in this work, showing that atomistic computational modeling could become a valuable tool to aid the experimental work in the development of nuclear fuels.« less

Customization of Protein Single Nanowires for Optical Biosensing.

PubMed

Sun, Yun-Lu; Sun, Si-Ming; Wang, Pan; Dong, Wen-Fei; Zhang, Lei; Xu, Bin-Bin; Chen, Qi-Dai; Tong, Li-Min; Sun, Hong-Bo

2015-06-24

An all-protein single-nanowire optical biosensor is constructed by a facile and general femtosecond laser direct writing approach with nanoscale structural customization. As-formed protein single nanowires show excellent optical properties (fine waveguiding performance and bio-applicable transmission windows), and are utilized as evanescent optical nanobiosensors for label-free biotin detection. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

DOE PAGES

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

2016-06-02

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

Artificially modified magnetic anisotropy in interconnected nanowire networks.

PubMed

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

2015-01-28

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

Roll up nanowire battery from silicon chips

PubMed Central

Vlad, Alexandru; Reddy, Arava Leela Mohana; Ajayan, Anakha; Singh, Neelam; Gohy, Jean-François; Melinte, Sorin; Ajayan, Pulickel M.

2012-01-01

Here we report an approach to roll out Li-ion battery components from silicon chips by a continuous and repeatable etch-infiltrate-peel cycle. Vertically aligned silicon nanowires etched from recycled silicon wafers are captured in a polymer matrix that operates as Li+ gel-electrolyte and electrode separator and peeled off to make multiple battery devices out of a single wafer. Porous, electrically interconnected copper nanoshells are conformally deposited around the silicon nanowires to stabilize the electrodes over extended cycles and provide efficient current collection. Using the above developed process we demonstrate an operational full cell 3.4 V lithium-polymer silicon nanowire (LIPOSIL) battery which is mechanically flexible and scalable to large dimensions. PMID:22949696

The effect of nanowire length and diameter on the properties of transparent, conducting nanowire films

NASA Astrophysics Data System (ADS)

Bergin, Stephen M.; Chen, Yu-Hui; Rathmell, Aaron R.; Charbonneau, Patrick; Li, Zhi-Yuan; Wiley, Benjamin J.

2012-03-01

This article describes how the dimensions of nanowires affect the transmittance and sheet resistance of a random nanowire network. Silver nanowires with independently controlled lengths and diameters were synthesized with a gram-scale polyol synthesis by controlling the reaction temperature and time. Characterization of films composed of nanowires of different lengths but the same diameter enabled the quantification of the effect of length on the conductance and transmittance of silver nanowire films. Finite-difference time-domain calculations were used to determine the effect of nanowire diameter, overlap, and hole size on the transmittance of a nanowire network. For individual nanowires with diameters greater than 50 nm, increasing diameter increases the electrical conductance to optical extinction ratio, but the opposite is true for nanowires with diameters less than this size. Calculations and experimental data show that for a random network of nanowires, decreasing nanowire diameter increases the number density of nanowires at a given transmittance, leading to improved connectivity and conductivity at high transmittance (>90%). This information will facilitate the design of transparent, conducting nanowire films for flexible displays, organic light emitting diodes and thin-film solar cells.This article describes how the dimensions of nanowires affect the transmittance and sheet resistance of a random nanowire network. Silver nanowires with independently controlled lengths and diameters were synthesized with a gram-scale polyol synthesis by controlling the reaction temperature and time. Characterization of films composed of nanowires of different lengths but the same diameter enabled the quantification of the effect of length on the conductance and transmittance of silver nanowire films. Finite-difference time-domain calculations were used to determine the effect of nanowire diameter, overlap, and hole size on the transmittance of a nanowire network. For

Network and Atomistic Simulations Unveil the Structural Determinants of Mutations Linked to Retinal Diseases

PubMed Central

Mariani, Simona; Dell'Orco, Daniele; Felline, Angelo; Raimondi, Francesco; Fanelli, Francesca

2013-01-01

A number of incurable retinal diseases causing vision impairments derive from alterations in visual phototransduction. Unraveling the structural determinants of even monogenic retinal diseases would require network-centered approaches combined with atomistic simulations. The transducin G38D mutant associated with the Nougaret Congenital Night Blindness (NCNB) was thoroughly investigated by both mathematical modeling of visual phototransduction and atomistic simulations on the major targets of the mutational effect. Mathematical modeling, in line with electrophysiological recordings, indicates reduction of phosphodiesterase 6 (PDE) recognition and activation as the main determinants of the pathological phenotype. Sub-microsecond molecular dynamics (MD) simulations coupled with Functional Mode Analysis improve the resolution of information, showing that such impairment is likely due to disruption of the PDEγ binding cavity in transducin. Protein Structure Network analyses additionally suggest that the observed slight reduction of theRGS9-catalyzed GTPase activity of transducin depends on perturbed communication between RGS9 and GTP binding site. These findings provide insights into the structural fundamentals of abnormal functioning of visual phototransduction caused by a missense mutation in one component of the signaling network. This combination of network-centered modeling with atomistic simulations represents a paradigm for future studies aimed at thoroughly deciphering the structural determinants of genetic retinal diseases. Analogous approaches are suitable to unveil the mechanism of information transfer in any signaling network either in physiological or pathological conditions. PMID:24009494

GaAs nanowire array solar cells with axial p-i-n junctions.

PubMed

Yao, Maoqing; Huang, Ningfeng; Cong, Sen; Chi, Chun-Yung; Seyedi, M Ashkan; Lin, Yen-Ting; Cao, Yu; Povinelli, Michelle L; Dapkus, P Daniel; Zhou, Chongwu

2014-06-11

Because of unique structural, optical, and electrical properties, solar cells based on semiconductor nanowires are a rapidly evolving scientific enterprise. Various approaches employing III-V nanowires have emerged, among which GaAs, especially, is under intense research and development. Most reported GaAs nanowire solar cells form p-n junctions in the radial direction; however, nanowires using axial junction may enable the attainment of high open circuit voltage (Voc) and integration into multijunction solar cells. Here, we report GaAs nanowire solar cells with axial p-i-n junctions that achieve 7.58% efficiency. Simulations show that axial junctions are more tolerant to doping variation than radial junctions and lead to higher Voc under certain conditions. We further study the effect of wire diameter and junction depth using electrical characterization and cathodoluminescence. The results show that large diameter and shallow junctions are essential for a high extraction efficiency. Our approach opens up great opportunity for future low-cost, high-efficiency photovoltaics.

Silver nanowire-based transparent, flexible, and conductive thin film

PubMed Central

2011-01-01

The fabrication of transparent, conductive, and uniform silver nanowire films using the scalable rod-coating technique is described in this study. Properties of the transparent conductive thin films are investigated, as well as the approaches to improve the performance of transparent silver nanowire electrodes. It is found that silver nanowires are oxidized during the coating process. Incubation in hydrogen chloride (HCl) vapor can eliminate oxidized surface, and consequently, reduce largely the resistivity of silver nanowire thin films. After HCl treatment, 175 Ω/sq and approximately 75% transmittance are achieved. The sheet resistivity drops remarkably with the rise of the film thickness or with the decrease of transparency. The thin film electrodes also demonstrated excellent flexible stability, showing < 2% resistance change after over 100 bending cycles. PMID:21711602

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

DOE PAGES

Xu, Shuozhi; Xiong, Liming; Chen, Youping; ...

2017-04-26

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF).more » For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Here, our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations.« less

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Shuozhi; Xiong, Liming; Chen, Youping

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF).more » For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Here, our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations.« less

Dealloying of gold–copper alloy nanowires: From hillocks to ring-shaped nanopores

PubMed Central

Chauvin, Adrien; Delacôte, Cyril; Boujtita, Mohammed; Angleraud, Benoit; Ding, Junjun; Choi, Chang-Hwan; Tessier, Pierre-Yves

2016-01-01

Summary We report on a novel fabrication approach of metal nanowires with complex surface. Taking advantage of nodular growth triggered by the presence of surface defects created intentionally on the substrate as well as the high tilt angle between the magnetron source axis and the normal to the substrate, metal nanowires containing hillocks emerging out of the surface can be created. The approach is demonstrated for several metals and alloys including gold, copper, silver, gold–copper and gold–silver. We demonstrate that applying an electrochemical dealloying process to the gold–copper alloy nanowire arrays allows for transforming the hillocks into ring-like shaped nanopores. The resulting porous gold nanowires exhibit a very high roughness and high specific surface making of them a promising candidate for the development of SERS-based sensors. PMID:27826510

Low-Temperature Selective Growth of Tungsten Oxide Nanowires by Controlled Nanoscale Stress Induction

PubMed Central

Na, Hyungjoo; Eun, Youngkee; Kim, Min-Ook; Choi, Jungwook; Kim, Jongbaeg

2015-01-01

We report a unique approach for the patterned growth of single-crystalline tungsten oxide (WOx) nanowires based on localized stress-induction. Ions implanted into the desired growth area of WOx thin films lead to a local increase in the compressive stress, leading to the growth of nanowire at lower temperatures (600 °C vs. 750–900 °C) than for equivalent non-implanted samples. Nanowires were successfully grown on the microscale patterns using wafer-level ion implantation and on the nanometer scale patterns using a focused ion beam (FIB). Experimental results show that nanowire growth is influenced by a number of factors including the dose of the implanted ions and their atomic radius. The implanted-ion-assisted, stress-induced method proposed here for the patterned growth of WOx nanowires is simpler than alternative approaches and enhances the compatibility of the process by reducing the growth temperature. PMID:26666843

Evaluating focused ion beam patterning for position-controlled nanowire growth using computer vision

NASA Astrophysics Data System (ADS)

Mosberg, A. B.; Myklebost, S.; Ren, D.; Weman, H.; Fimland, B. O.; van Helvoort, A. T. J.

2017-09-01

To efficiently evaluate the novel approach of focused ion beam (FIB) direct patterning of substrates for nanowire growth, a reference matrix of hole arrays has been used to study the effect of ion fluence and hole diameter on nanowire growth. Self-catalyzed GaAsSb nanowires were grown using molecular beam epitaxy and studied by scanning electron microscopy (SEM). To ensure an objective analysis, SEM images were analyzed with computer vision to automatically identify nanowires and characterize each array. It is shown that FIB milling parameters can be used to control the nanowire growth. Lower ion fluence and smaller diameter holes result in a higher yield (up to 83%) of single vertical nanowires, while higher fluence and hole diameter exhibit a regime of multiple nanowires. The catalyst size distribution and placement uniformity of vertical nanowires is best for low-value parameter combinations, indicating how to improve the FIB parameters for positioned-controlled nanowire growth.

Influence factors of the inter-nanowire thermal contact resistance in the stacked nanowires

NASA Astrophysics Data System (ADS)

Wu, Dongxu; Huang, Congliang; Zhong, Jinxin; Lin, Zizhen

2018-05-01

The inter-nanowire thermal contact resistance is important for tuning the thermal conductivity of a nanocomposite for thermoelectric applications. In this paper, the stacked copper nanowires are applied for studying the thermal contact resistance. The stacked copper nanowires are firstly made by the cold-pressing method, and then the nanowire stacks are treated by sintering treatment. With the effect of the volumetric fraction of nanowires in the stack and the influence of the sintering-temperature on the thermal contact resistance discussed, results show that: The thermal conductivity of the 150-nm copper nanowires can be enlarged almost 2 times with the volumetric fraction increased from 32 to 56% because of the enlarged contact-area and contact number of a copper nanowire. When the sintering temperature increases from 293 to 673 K, the thermal conductivity of the stacked 300-nm nanowires could be enlarged almost 2.5 times by the sintering treatment, because of the improved lattice property of the contact zone. In conclusion, application of a high volumetric fraction or/and a sintering-treatment are effectivity to tune the inter-nanowire thermal contact resistance, and thus to tailor the thermal conductivity of a nanowire network or stack.

A possible oriented attachment growth mechanism for silver nanowire formation

DOE PAGES

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

2015-04-06

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

A possible oriented attachment growth mechanism for silver nanowire formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Conductive polymer nanowire gas sensor fabricated by nanoscale soft lithography.

PubMed

Tang, Ning; Jiang, Yang; Qu, Hemi; Duan, Xuexin

2017-12-01

Resistive devices composed of one-dimensional nanostructures are promising candidates for the next generation of gas sensors. However, the large-scale fabrication of nanowires is still challenging, which restricts the commercialization of such devices. Here, we report a highly efficient and facile approach to fabricating poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) nanowire chemiresistive gas sensors by nanoscale soft lithography. Well-defined sub-100 nm nanowires are fabricated on silicon substrate, which facilitates device integration. The nanowire chemiresistive gas sensor is demonstrated for NH 3 and NO 2 detection at room temperature and shows a limit of detection at ppb level, which is compatible with nanoscale PEDOT:PSS gas sensors fabricated with the conventional lithography technique. In comparison with PEDOT:PSS thin-film gas sensors, the nanowire gas sensor exhibits higher sensitivity and a much faster response to gas molecules.

Conductive polymer nanowire gas sensor fabricated by nanoscale soft lithography

NASA Astrophysics Data System (ADS)

Tang, Ning; Jiang, Yang; Qu, Hemi; Duan, Xuexin

2017-12-01

Resistive devices composed of one-dimensional nanostructures are promising candidates for the next generation of gas sensors. However, the large-scale fabrication of nanowires is still challenging, which restricts the commercialization of such devices. Here, we report a highly efficient and facile approach to fabricating poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) nanowire chemiresistive gas sensors by nanoscale soft lithography. Well-defined sub-100 nm nanowires are fabricated on silicon substrate, which facilitates device integration. The nanowire chemiresistive gas sensor is demonstrated for NH3 and NO2 detection at room temperature and shows a limit of detection at ppb level, which is compatible with nanoscale PEDOT:PSS gas sensors fabricated with the conventional lithography technique. In comparison with PEDOT:PSS thin-film gas sensors, the nanowire gas sensor exhibits higher sensitivity and a much faster response to gas molecules.

Unraveling the solvent induced welding of silver nanowires for high performance flexible transparent electrodes.

PubMed

Zhang, Kui; Li, Jia; Fang, Yunsheng; Luo, Beibei; Zhang, Yanli; Li, Yanqiu; Zhou, Jun; Hu, Bin

2018-04-25

A solution processed metal nanowire network is a promising flexible transparent electrode to replace brittle metal oxides for printable optoelectronics applications, but suffers from the issue of pseudo contact between nanowires. Herein, using volatile solvent mists as a powerful "zipper", we demonstrate a simple and rapid method to effectively weld silver nanowires, which dramatically improves the conductivity and robustness of the silver nanowire network based flexible transparent electrodes. We reveal that for a stacked network structure, the unique wedge-shaped nanogaps between the long nanowires and substrate provide a strong capillary force during solvent evaporation, which is much larger than that between zero-dimensional nanoparticles and gives a decisive contribution for nanowire junction welding, and this nanowire-substrate interplay force is positively related to the wettability of the substrate. At the same time, the dissolution-reprecipitation of the capping agent on the silver nanowire surface as the natural adhesive can fix the network on the substrate tightly, which enhances the robustness of the network. Our approach solves two key issues in solution-processed transparent electrodes in one simple step, and is compatible with various mild solution-processed optoelectronic devices, especially those containing heat-sensitive or chemical-sensitive materials. Moreover, a new type of invisible infrared encryption display is demonstrated based on this approach.

Spatial distribution of defect luminescence in GaN nanowires.

PubMed

Li, Qiming; Wang, George T

2010-05-12

The spatial distribution of defect-related and band-edge luminescence from GaN nanowires grown by metal-organic chemical vapor deposition was studied by spatially resolved cathodoluminescence imaging and spectroscopy. A surface layer exhibiting strong yellow luminescence (YL) near 566 nm in the nanowires was revealed, compared to weak YL in the bulk. In contrast, other defect-related luminescence near 428 nm (blue luminescence) and 734 nm (red luminescence), in addition to band-edge luminescence (BEL) at 366 nm, were observed in the bulk of the nanowires but were largely absent at the surface. As the nanowire width approaches a critical dimension, the surface YL layer completely quenches the BEL. The surface YL is attributed to the diffusion and piling up of mobile point defects, likely isolated gallium vacancies, at the surface during growth.

Why self-catalyzed nanowires are most suitable for large-scale hierarchical integrated designs of nanowire nanoelectronics

NASA Astrophysics Data System (ADS)

Noor Mohammad, S.

2011-10-01

Nanowires are grown by a variety of mechanisms, including vapor-liquid-solid, vapor-quasiliquid-solid or vapor-quasisolid-solid, oxide-assisted growth, and self-catalytic growth (SCG) mechanisms. A critical analysis of the suitability of self-catalyzed nanowires, as compared to other nanowires, for next-generation technology development has been carried out. Basic causes of superiority of self-catalyzed (SCG) nanowires over other nanowires have been described. Polytypism in nanowires has been studied, and a model for polytypism has been proposed. The model predicts polytypism in good agreement with available experiments. This model, together with various evidences, demonstrates lower defects, dislocations, and stacking faults in SCG nanowires, as compared to those in other nanowires. Calculations of carrier mobility due to dislocation scattering, ionized impurity scattering, and acoustic phonon scattering explain the impact of defects, dislocations, and stacking faults on carrier transports in SCG and other nanowires. Analyses of growth mechanisms for nanowire growth directions indicate SCG nanowires to exhibit the most controlled growth directions. In-depth investigation uncovers the fundamental physics underlying the control of growth direction by the SCG mechanism. Self-organization of nanowires in large hierarchical arrays is crucial for ultra large-scale integration (ULSI). Unique features and advantages of self-organized SCG nanowires, unlike other nanowires, for this ULSI have been discussed. Investigations of nanowire dimension indicate self-catalyzed nanowires to have better control of dimension, higher stability, and higher probability, even for thinner structures. Theoretical calculations show that self-catalyzed nanowires, unlike catalyst-mediated nanowires, can have higher growth rate and lower growth temperature. Nanowire and nanotube characteristics have been found also to dictate the performance of nanoelectromechanical systems. Defects, such as

Topological insulator nanowires and nanowire hetero-junctions

NASA Astrophysics Data System (ADS)

Deng, Haiming; Zhao, Lukas; Wade, Travis; Konczykowski, Marcin; Krusin-Elbaum, Lia

2014-03-01

The existing topological insulator materials (TIs) continue to present a number of challenges to complete understanding of the physics of topological spin-helical Dirac surface conduction channels, owing to a relatively large charge conduction in the bulk. One way to reduce the bulk contribution and to increase surface-to-volume ratio is by nanostructuring. Here we report on the synthesis and characterization of Sb2Te3, Bi2Te3 nanowires and nanotubes and Sb2Te3/Bi2Te3 heterojunctions electrochemically grown in porous anodic aluminum oxide (AAO) membranes with varied (from 50 to 150 nm) pore diameters. Stoichiometric rigid polycrystalline nanowires with controllable cross-sections were obtained using cell voltages in the 30 - 150 mV range. Transport measurements in up to 14 T magnetic fields applied along the nanowires show Aharonov-Bohm (A-B) quantum oscillations with periods corresponding to the nanowire diameters. All nanowires were found to exhibit sharp weak anti-localization (WAL) cusps, a characteristic signature of TIs. In addition to A-B oscillations, new quantization plateaus in magnetoresistance (MR) at low fields (< 0 . 7T) were observed. The analysis of MR as well as I - V characteristics of heterojunctions will be presented. Supported in part by NSF-DMR-1122594, NSF-DMR-1312483-MWN, and DOD-W911NF-13-1-0159.

Mechanical characterization of metallic nanowires by using a customized atomic microscope

NASA Astrophysics Data System (ADS)

Celik, Emrah

A new experimental method to characterize the mechanical properties of metallic nanowires is introduced. An accurate and fast mechanical characterization of nanowires requires simultaneous imaging and testing of nanowires. However, there exists no practical experimental procedure in the literature that provides a quantitative mechanical analysis and imaging of the nanowire specimens during mechanical testing. In this study, a customized atomic force microscope (AFM) is placed inside a scanning electron microscope (SEM) in order to locate the position of the nanowires. The tip of the atomic force microscope cantilever is utilized to bend and break the nanowires. The nanowires are prepared by electroplating of nickel ions into the nanoscale pores of the alumina membranes. Force versus bending displacement responses of these nanowires are measured experimentally and then compared against those of the finite element analysis and peridynamic simulations to extract their mechanical properties through an inverse approach. The average elastic modulus of nickel nanowires, which are extracted using finite element analysis and peridynamic simulations, varies between 220 GPa and 225 GPa. The elastic modulus of bulk nickel published in the literature is comparable to that of nickel nanowires. This observation agrees well with the previous findings on nanowires stating that the elastic modulus of nanowires with diameters over 100nm is similar to that of bulk counterparts. The average yield stress of nickel nanowires, which are extracted using finite element analysis and peridynamic simulations, is found to be between 3.6 GPa to 4.1 GPa. The average value of yield stress of nickel nanowires with 250nm diameter is significantly higher than that of bulk nickel. Higher yield stress of nickel nanowires observed in this study can be explained by the lower defect density of nickel nanowires when compared to their bulk counterparts. Deviation in the extracted mechanical properties is

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.

Luminescence emission from Al0.3Ga0.7N/GaN multi quantum disc core/shell nanowire: Numerical approach

NASA Astrophysics Data System (ADS)

Namvari, E.; Shojaei, S.; Asgari, A.

2017-09-01

In this work, a numerical approach to investigate the room temperature luminescence emission from core/shell nanowire is presented where GaN quantum discs (QDiscs), periodically distributed in AlxGa1-xN nanowire, is considered as core and AlxGa1-xN as shell. Thin disc shaped (Ring shaped) n-doped region has been placed at the GaN/ AlxGa1-xN (AlxGa1-xN /air) interface in AlxGa1-xN region in axial (radial) directions. To obtain energy levels and related wavefunctions, self-consistent procedure has been employed to solve Schrodinger-Poisson equations with considering the spontaneous and piezoelectric polarization. Then luminescence spectrum is studied in details to recognize the parameters influent in luminescence. The results show that the amount of doping, size of QDiscs and theirs numbers have remarkable effects on the band to band luminescence emission. Our numerical calculations gives some insights into the luminescence emission of core/shell nanowire and exhibits a useful tool to analyze findings in experiments.

Nanowire-based thermoelectrics

NASA Astrophysics Data System (ADS)

Ali, Azhar; Chen, Yixi; Vasiraju, Venkata; Vaddiraju, Sreeram

2017-07-01

Research on thermoelectrics has seen a huge resurgence since the early 1990s. The ability of tuning a material’s electrical and thermal transport behavior upon nanostructuring has led to this revival. Nevertheless, thermoelectric performances of nanowires and related materials lag far behind those achieved with thin-film superlattices and quantum dot-based materials. This is despite the fact that nanowires offer many distinct advantages in enhancing the thermoelectric performances of materials. The simplicity of the strategy is the first and foremost advantage. For example, control of the nanowire diameters and their surface roughnesses will aid in enhancing their thermoelectric performances. Another major advantage is the possibility of obtaining high thermoelectric performances using simpler nanowire chemistries (e.g., elemental and binary compound semiconductors), paving the way for the fabrication of thermoelectric modules inexpensively from non-toxic elements. In this context, the topical review provides an overview of the current state of nanowire-based thermoelectrics. It concludes with a discussion of the future vision of nanowire-based thermoelectrics, including the need for developing strategies aimed at the mass production of nanowires and their interface-engineered assembly into devices. This eliminates the need for trial-and-error strategies and complex chemistries for enhancing the thermoelectric performances of materials.

Multiphase separation of copper nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, Fang; Lan, Pui Ching; Olson, Tammy

Here, this communication reports a new method to purify copper nanowires with nearly 100% yield from undesired copper nanoparticle side-products formed during batch processes of copper nanowire synthesis. Also, this simple separation method can yield large quantities of long, uniform, high-purity copper nanowires to meet the requirements of nanoelectronics applications as well as provide an avenue for purifying copper nanowires in the industrial scale synthesis of copper nanowires, a key step for commercialization and application of nanowires.

Multiphase separation of copper nanowires

DOE PAGES

Qian, Fang; Lan, Pui Ching; Olson, Tammy; ...

2016-09-01

Here, this communication reports a new method to purify copper nanowires with nearly 100% yield from undesired copper nanoparticle side-products formed during batch processes of copper nanowire synthesis. Also, this simple separation method can yield large quantities of long, uniform, high-purity copper nanowires to meet the requirements of nanoelectronics applications as well as provide an avenue for purifying copper nanowires in the industrial scale synthesis of copper nanowires, a key step for commercialization and application of nanowires.

Programmability of nanowire networks

NASA Astrophysics Data System (ADS)

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

2014-07-01

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

Homoepitaxial n-core: p-shell gallium nitride nanowires: HVPE overgrowth on MBE nanowires.

PubMed

Sanders, Aric; Blanchard, Paul; Bertness, Kris; Brubaker, Matthew; Dodson, Christopher; Harvey, Todd; Herrero, Andrew; Rourke, Devin; Schlager, John; Sanford, Norman; Chiaramonti, Ann N; Davydov, Albert; Motayed, Abhishek; Tsvetkov, Denis

2011-11-18

We present the homoepitaxial growth of p-type, magnesium doped gallium nitride shells by use of halide vapor phase epitaxy (HVPE) on n-type gallium nitride nanowires grown by plasma-assisted molecular beam epitaxy (MBE). Scanning electron microscopy shows clear dopant contrast between the core and shell of the nanowire. The growth of magnesium doped nanowire shells shows little or no effect on the lattice parameters of the underlying nanowires, as measured by x-ray diffraction (XRD). Photoluminescence measurements of the nanowires show the appearance of sub-bandgap features in the blue and the ultraviolet, indicating the presence of acceptors. Finally, electrical measurements confirm the presence of electrically active holes in the nanowires.

Long term stability of nanowire nanoelectronics in physiological environments.

PubMed

Zhou, Wei; Dai, Xiaochuan; Fu, Tian-Ming; Xie, Chong; Liu, Jia; Lieber, Charles M

2014-03-12

Nanowire nanoelectronic devices have been exploited as highly sensitive subcellular resolution detectors for recording extracellular and intracellular signals from cells, as well as from natural and engineered/cyborg tissues, and in this capacity open many opportunities for fundamental biological research and biomedical applications. Here we demonstrate the capability to take full advantage of the attractive capabilities of nanowire nanoelectronic devices for long term physiological studies by passivating the nanowire elements with ultrathin metal oxide shells. Studies of Si and Si/aluminum oxide (Al2O3) core/shell nanowires in physiological solutions at 37 °C demonstrate long-term stability extending for at least 100 days in samples coated with 10 nm thick Al2O3 shells. In addition, investigations of nanowires configured as field-effect transistors (FETs) demonstrate that the Si/Al2O3 core/shell nanowire FETs exhibit good device performance for at least 4 months in physiological model solutions at 37 °C. The generality of this approach was also tested with in studies of Ge/Si and InAs nanowires, where Ge/Si/Al2O3 and InAs/Al2O3 core/shell materials exhibited stability for at least 100 days in physiological model solutions at 37 °C. In addition, investigations of hafnium oxide-Al2O3 nanolaminated shells indicate the potential to extend nanowire stability well beyond 1 year time scale in vivo. These studies demonstrate that straightforward core/shell nanowire nanoelectronic devices can exhibit the long term stability needed for a range of chronic in vivo studies in animals as well as powerful biomedical implants that could improve monitoring and treatment of disease.

Long Term Stability of Nanowire Nanoelectronics in Physiological Environments

PubMed Central

2015-01-01

Nanowire nanoelectronic devices have been exploited as highly sensitive subcellular resolution detectors for recording extracellular and intracellular signals from cells, as well as from natural and engineered/cyborg tissues, and in this capacity open many opportunities for fundamental biological research and biomedical applications. Here we demonstrate the capability to take full advantage of the attractive capabilities of nanowire nanoelectronic devices for long term physiological studies by passivating the nanowire elements with ultrathin metal oxide shells. Studies of Si and Si/aluminum oxide (Al2O3) core/shell nanowires in physiological solutions at 37 °C demonstrate long-term stability extending for at least 100 days in samples coated with 10 nm thick Al2O3 shells. In addition, investigations of nanowires configured as field-effect transistors (FETs) demonstrate that the Si/Al2O3 core/shell nanowire FETs exhibit good device performance for at least 4 months in physiological model solutions at 37 °C. The generality of this approach was also tested with in studies of Ge/Si and InAs nanowires, where Ge/Si/Al2O3 and InAs/Al2O3 core/shell materials exhibited stability for at least 100 days in physiological model solutions at 37 °C. In addition, investigations of hafnium oxide-Al2O3 nanolaminated shells indicate the potential to extend nanowire stability well beyond 1 year time scale in vivo. These studies demonstrate that straightforward core/shell nanowire nanoelectronic devices can exhibit the long term stability needed for a range of chronic in vivo studies in animals as well as powerful biomedical implants that could improve monitoring and treatment of disease. PMID:24479700

Advances in nanowire bioelectronics

NASA Astrophysics Data System (ADS)

Zhou, Wei; Dai, Xiaochuan; Lieber, Charles M.

2017-01-01

Semiconductor nanowires represent powerful building blocks for next generation bioelectronics given their attractive properties, including nanometer-scale footprint comparable to subcellular structures and bio-molecules, configurable in nonstandard device geometries readily interfaced with biological systems, high surface-to-volume ratios, fast signal responses, and minimum consumption of energy. In this review article, we summarize recent progress in the field of nanowire bioelectronics with a focus primarily on silicon nanowire field-effect transistor biosensors. First, the synthesis and assembly of semiconductor nanowires will be described, including the basics of nanowire FETs crucial to their configuration as biosensors. Second, we will introduce and review recent results in nanowire bioelectronics for biomedical applications ranging from label-free sensing of biomolecules, to extracellular and intracellular electrophysiological recording.

Catalyst shape engineering for anisotropic cross-sectioned nanowire growth

NASA Astrophysics Data System (ADS)

Calahorra, Yonatan; Kelrich, Alexander; Cohen, Shimon; Ritter, Dan

2017-01-01

The ability to engineer material properties at the nanoscale is a crucial prerequisite for nanotechnology. Hereunder, we suggest and demonstrate a novel approach to realize non-hemispherically shaped nanowire catalysts, subsequently used to grow InP nanowires with a cross section anisotropy ratio of up to 1:1.8. Gold was deposited inside high aspect ratio nanotrenches in a 5 nm thick SiNx selective area mask; inside the growth chamber, upon heating to 455 °C, the thin gold stripes agglomerated, resulting in an ellipsoidal dome (hemiellipsoid). The initial shape of the catalyst was preserved during growth to realize asymmetrically cross-sectioned nanowires. Moreover, the crystalline nature of the nanowire side facets was found to depend on the nano-trench orientation atop the substrate, resulting in hexagonal or octagonal cross-sections when the nano-trenches are aligned or misaligned with the [1¯10] orientation atop a [111]B substrate. These results establish the role of catalyst shape as a unique tool to engineer nanowire growth, potentially allowing further control over its physical properties.

Lithographically fabricated gold nanowire waveguides for plasmonic routers and logic gates.

PubMed

Gao, Long; Chen, Li; Wei, Hong; Xu, Hongxing

2018-06-14

Fabricating plasmonic nanowire waveguides and circuits by lithographic fabrication methods is highly desired for nanophotonic circuitry applications. Here we report an approach for fabricating metal nanowire networks by using electron beam lithography and metal film deposition techniques. The gold nanowire structures are fabricated on quartz substrates without using any adhesion layer but coated with a thin layer of Al2O3 film for immobilization. The thermal annealing during the Al2O3 deposition process decreases the surface plasmon loss. In a Y-shaped gold nanowire network, the surface plasmons can be routed to different branches by controlling the polarization of the excitation light, and the routing behavior is dependent on the length of the main nanowire. Simulated electric field distributions show that the zigzag distribution of the electric field in the nanowire network determines the surface plasmon routing. By using two laser beams to excite surface plasmons in a Y-shaped nanowire network, the output intensity can be modulated by the interference of surface plasmons, which can be used to design Boolean logic gates. We experimentally demonstrate that AND, OR, XOR and NOT gates can be realized in three-terminal nanowire networks, and NAND, NOR and XNOR gates can be realized in four-terminal nanowire networks. This work takes a step toward the fabrication of on-chip integrated plasmonic circuits.

Mechanics of low-dimensional carbon nanostructures: Atomistic, continuum, and multi-scale approaches

NASA Astrophysics Data System (ADS)

Mahdavi, Arash

A new multiscale modeling technique called the Consistent Atomic-scale Finite Element (CAFE) method is introduced. Unlike traditional approaches for linking the atomic structure to its equivalent continuum, this method directly connects the atomic degrees of freedom to a reduced set of finite element degrees of freedom without passing through an intermediate homogenized continuum. As a result, there is no need to introduce stress and strain measures at the atomic level. The Tersoff-Brenner interatomic potential is used to calculate the consistent tangent stiffness matrix of the structure. In this finite element formulation, all local and non-local interactions between carbon atoms are taken into account using overlapping finite elements. In addition, a consistent hierarchical finite element modeling technique is developed for adaptively coarsening and refining the mesh over different parts of the model. This process is consistent with the underlying atomic structure and, by refining the mesh to the scale of atomic spacing, molecular dynamic results can be recovered. This method is valid across the scales and can be used to concurrently model atomistic and continuum phenomena so, in contrast with most other multi-scale methods, there is no need to introduce artificial boundaries for coupling atomistic and continuum regions. Effect of the length scale of the nanostructure is also included in the model by building the hierarchy of elements from bottom up using a finite size atom cluster as the building block. To be consistent with the bravais multi-lattice structure of sp2-bonded carbon, two independent displacement fields are used for reducing the order of the model. Sparse structure of the stiffness matrix of these nanostructures is exploited to reduce the memory requirement and to speed up the formation of the system matrices and solution of the equilibrium equations. Applicability of the method is shown with several examples of the nonlinear mechanics of carbon

Silicon nanowires for photovoltaic solar energy conversion.

PubMed

Peng, Kui-Qing; Lee, Shuit-Tong

2011-01-11

Semiconductor nanowires are attracting intense interest as a promising material for solar energy conversion for the new-generation photovoltaic (PV) technology. In particular, silicon nanowires (SiNWs) are under active investigation for PV applications because they offer novel approaches for solar-to-electric energy conversion leading to high-efficiency devices via simple manufacturing. This article reviews the recent developments in the utilization of SiNWs for PV applications, the relationship between SiNW-based PV device structure and performance, and the challenges to obtaining high-performance cost-effective solar cells.

Three-dimensional electrodes for dye-sensitized solar cells: synthesis of indium-tin-oxide nanowire arrays and ITO/TiO2 core-shell nanowire arrays by electrophoretic deposition

NASA Astrophysics Data System (ADS)

Wang, Hong-Wen; Ting, Chi-Feng; Hung, Miao-Ken; Chiou, Chwei-Huann; Liu, Ying-Ling; Liu, Zongwen; Ratinac, Kyle R.; Ringer, Simon P.

2009-02-01

Dye-sensitized solar cells (DSSCs) show promise as a cheaper alternative to silicon-based photovoltaics for specialized applications, provided conversion efficiency can be maximized and production costs minimized. This study demonstrates that arrays of nanowires can be formed by wet-chemical methods for use as three-dimensional (3D) electrodes in DSSCs, thereby improving photoelectric conversion efficiency. Two approaches were employed to create the arrays of ITO (indium-tin-oxide) nanowires or arrays of ITO/TiO2 core-shell nanowires; both methods were based on electrophoretic deposition (EPD) within a polycarbonate template. The 3D electrodes for solar cells were constructed by using a doctor-blade for coating TiO2 layers onto the ITO or ITO/TiO2 nanowire arrays. A photoelectric conversion efficiency as high as 4.3% was achieved in the DSSCs made from ITO nanowires; this performance was better than that of ITO/TiO2 core-shell nanowires or pristine TiO2 films. Cyclic voltammetry confirmed that the reaction current was significantly enhanced when a 3D ITO-nanowire electrode was used. Better separation of charge carriers and improved charge transport, due to the enlarged interfacial area, are thought to be the major advantages of using 3D nanowire electrodes for the optimization of DSSCs.

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neilson, James R.; McQueen, Tyrel M.

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

DOE PAGES

Neilson, James R.; McQueen, Tyrel M.

2015-09-20

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

First Principles Atomistic Model for Carbon-Doped Boron Suboxide

DTIC Science & Technology

2014-09-01

First Principles Atomistic Model for Carbon-Doped Boron Suboxide by Amol B Rahane, Jennifer S Dunn, and Vijay Kumar ARL-TR-7106...2014 First Principles Atomistic Model for Carbon-Doped Boron Suboxide Amol B Rahane Dr Vijay Kumar Foundation 1969 Sector 4 Gurgaon...5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Amol B Rahane, Jennifer S Dunn, and Vijay Kumar 5d. PROJECT

Fabrication and characterization of a germanium nanowire light emitting diode

NASA Astrophysics Data System (ADS)

Greil, Johannes; Bertagnolli, Emmerich; Salem, Bassem; Baron, Thierry; Gentile, Pascal; Lugstein, Alois

2017-12-01

In this letter, we demonstrate the feasibility of a germanium nanowire light emitting diode as a reasonable approach for downscaling of CMOS compatible light sources. We show room-temperature direct bandgap electroluminescence from axial p-n junction nanowire devices. The electron population in the Γ valley, necessary for direct bandgap emission, is achieved by high injection current densities. Carrier temperature is consistently found to be higher than the lattice temperature, indicating inhibited carrier cooling in small diameter wires. Strong polarization of the emission parallel to the nanowire axis is observed and attributed to dielectric contrast phenomena.

Precise Placement of Metallic Nanowires on a Substrate by Localized Electric Fields and Inter-Nanowire Electrostatic Interaction

PubMed Central

2017-01-01

Placing nanowires at the predetermined locations on a substrate represents one of the significant hurdles to be tackled for realization of heterogeneous nanowire systems. Here, we demonstrate spatially-controlled assembly of a single nanowire at the photolithographically recessed region at the electrode gap with high integration yield (~90%). Two popular routes, such as protruding electrode tips and recessed wells, for spatially-controlled nanowire alignment, are compared to investigate long-range dielectrophoretic nanowire attraction and short-range nanowire-nanowire electrostatic interaction for determining the final alignment of attracted nanowires. Furthermore, the post-assembly process has been developed and tested to make a robust electrical contact to the assembled nanowires, which removes any misaligned ones and connects the nanowires to the underlying electrodes of circuit. PMID:29048363

Thermoelectric properties of semiconductor nanowire networks

DOE PAGES

Roslyak, Oleksiy; Piryatinski, Andrei

2016-03-28

To examine the thermoelectric (TE) properties of a semiconductor nanowire (NW) network, we propose a theoretical approach mapping the TE network on a two-port network. In contrast to a conventional single-port (i.e., resistor)network model, our model allows for large scale calculations showing convergence of TE figure of merit, ZT, with an increasing number of junctions. Using this model, numerical simulations are performed for the Bi 2Te 3 branched nanowire (BNW) and Cayley tree NW (CTNW) network. We find that the phonon scattering at the network junctions plays a dominant role in enhancing the network ZT. Specifically, disordered BNW and CTNWmore » demonstrate an order of magnitude higher ZT enhancement compared to their ordered counterparts. Formation of preferential TE pathways in CTNW makes the network effectively behave as its BNW counterpart. In conclusion, we provide formalism for simulating large scale nanowire networks hinged upon experimentally measurable TE parameters of a single T-junction.« less

Mapping strain rate dependence of dislocation-defect interactions by atomistic simulations

PubMed Central

Fan, Yue; Osetskiy, Yuri N.; Yip, Sidney; Yildiz, Bilge

2013-01-01

Probing the mechanisms of defect–defect interactions at strain rates lower than 106 s−1 is an unresolved challenge to date to molecular dynamics (MD) techniques. Here we propose an original atomistic approach based on transition state theory and the concept of a strain-dependent effective activation barrier that is capable of simulating the kinetics of dislocation–defect interactions at virtually any strain rate, exemplified within 10−7 to 107 s−1. We apply this approach to the problem of an edge dislocation colliding with a cluster of self-interstitial atoms (SIAs) under shear deformation. Using an activation–relaxation algorithm [Kushima A, et al. (2009) J Chem Phys 130:224504], we uncover a unique strain-rate–dependent trigger mechanism that allows the SIA cluster to be absorbed during the process, leading to dislocation climb. Guided by this finding, we determine the activation barrier of the trigger mechanism as a function of shear strain, and use that in a coarse-graining rate equation formulation for constructing a mechanism map in the phase space of strain rate and temperature. Our predictions of a crossover from a defect recovery at the low strain-rate regime to defect absorption behavior in the high strain-rate regime are validated against our own independent, direct MD simulations at 105 to 107 s−1. Implications of the present approach for probing molecular-level mechanisms in strain-rate regimes previously considered inaccessible to atomistic simulations are discussed. PMID:24114271

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

From Atomistic Model to the Peierls-Nabarro Model with {γ} -surface for Dislocations

NASA Astrophysics Data System (ADS)

Luo, Tao; Ming, Pingbing; Xiang, Yang

2018-05-01

The Peierls-Nabarro (PN) model for dislocations is a hybrid model that incorporates the atomistic information of the dislocation core structure into the continuum theory. In this paper, we study the convergence from a full atomistic model to the PN model with {γ} -surface for the dislocation in a bilayer system. We prove that the displacement field and the total energy of the dislocation solution of the PN model are asymptotically close to those of the full atomistic model. Our work can be considered as a generalization of the analysis of the convergence from atomistic model to Cauchy-Born rule for crystals without defects.

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.

Direct measurement of AC electrokinetics properties and capture frequencies of silicon and silicon-germanium nanowires

NASA Astrophysics Data System (ADS)

Merhej, M.; Honegger, T.; Bassani, F.; Baron, T.; Peyrade, D.; Drouin, D.; Salem, B.

2018-01-01

The assembly of semiconductor nanowires with nanoscale precision is crucial for their integration into functional systems. In this work, we propose a novel method to experimentally determine the real part of the Clausius-Mossotti factor (CMF) of silicon and silicon-germanium nanowires. The quantification of this CMF is measured with the nanowires velocities in a pure dielectrophoretic regime. This approach combined with a study on the connected nanowires alignment yield has led to a frequency of capture evaluation. In addition, we have also presented the morphology of nanowires assembly using dielectrophoresis for a wide frequency variation of AC electric fields.

An object oriented Python interface for atomistic simulations

NASA Astrophysics Data System (ADS)

Hynninen, T.; Himanen, L.; Parkkinen, V.; Musso, T.; Corander, J.; Foster, A. S.

2016-01-01

Programmable simulation environments allow one to monitor and control calculations efficiently and automatically before, during, and after runtime. Environments directly accessible in a programming environment can be interfaced with powerful external analysis tools and extensions to enhance the functionality of the core program, and by incorporating a flexible object based structure, the environments make building and analysing computational setups intuitive. In this work, we present a classical atomistic force field with an interface written in Python language. The program is an extension for an existing object based atomistic simulation environment.

Formation of tungsten oxide nanowires by ion irradiation and vacuum annealing

NASA Astrophysics Data System (ADS)

Zheng, Xu-Dong; Ren, Feng; Wu, Heng-Yi; Qin, Wen-Jing; Jiang, Chang-Zhong

2018-04-01

Here we reported the fabrication of tungsten oxide (WO3-x ) nanowires by Ar+ ion irradiation of WO3 thin films followed by annealing in vacuum. The nanowire length increases with increasing irradiation fluence and with decreasing ion energy. We propose that the stress-driven diffusion of the irradiation-induced W interstitial atoms is responsible for the formation of the nanowires. Comparing to the pristine film, the fabricated nanowire film shows a 106-fold enhancement in electrical conductivity, resulting from the high-density irradiation-induced vacancies on the oxygen sublattice. The nanostructure exhibits largely enhanced surface-enhanced Raman scattering effect due to the oxygen vacancy. Thus, ion irradiation provides a powerful approach for fabricating and tailoring the surface nanostructures of semiconductors.

CuO nanowire/microflower/nanowire modified Cu electrode with enhanced electrochemical performance for non-enzymatic glucose sensing.

PubMed

Li, Changli; Yamahara, Hiroyasu; Lee, Yaerim; Tabata, Hitoshi; Delaunay, Jean-Jacques

2015-07-31

CuO nanowire/microflower structure on Cu foil is synthesized by annealing a Cu(OH)2 nanowire/CuO microflower structure at 250 °C in air. The nanowire/microflower structure with its large surface area leads to an efficient catalysis and charge transfer in glucose detection, achieving a high sensitivity of 1943 μA mM(-1) cm(-2), a wide linear range up to 4 mM and a low detection limit of 4 μM for amperometric glucose sensing in alkaline solution. With a second consecutive growth of CuO nanowires on the microflowers, the sensitivity of the obtained CuO nanowire/microflower/nanowire structure further increases to 2424 μA mM(-1) cm(-2), benefiting from an increased number of electrochemically active sites. The enhanced electrocatalytic performance of the CuO nanowire/microflower/nanowire electrode compared to the CuO nanowire/microflower electrode, CuO nanowire electrode and CuxO film electrode provides evidence for the significant role of available surface area for electrocatalysis. The rational combination of CuO nanowire and microflower nanostructures into a nanowire supporting microflower branching nanowires structure makes it a promising composite nanostructure for use in CuO based electrochemical sensors with promising analytical properties.

A new approach for two-terminal electronic memory devices - Storing information on silicon nanowires

NASA Astrophysics Data System (ADS)

Saranti, Konstantina; Alotaibi, Sultan; Paul, Shashi

2016-06-01

The work described in this paper focuses on the utilisation of silicon nanowires as the information storage element in flash-type memory devices. Silicon nanostructures have attracted attention due to interesting electrical and optical properties, and their potential integration into electronic devices. A detailed investigation of the suitability of silicon nanowires as the charge storage medium in two-terminal non-volatile memory devices are presented in this report. The deposition of the silicon nanostructures was carried out at low temperatures (less than 400 °C) using a previously developed a novel method within our research group. Two-terminal non-volatile (2TNV) memory devices and metal-insulator-semiconductor (MIS) structures containing the silicon nanowires were fabricated and an in-depth study of their characteristics was carried out using current-voltage and capacitance techniques.

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

2016-01-01

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Synchrotron studies of top-down grown silicon nanowires

NASA Astrophysics Data System (ADS)

Turishchev, S. Yu.; Parinova, E. V.; Nesterov, D. N.; Koyuda, D. A.; Sivakov, V.; Schleusener, A.; Terekhov, V. A.

2018-06-01

Morphology of the top-down grown silicon nanowires obtained by metal-assisted wet-chemical approach on silicon substrates with different resistance were studied by scanning electron microscopy. Obtained arrays of compact grown Si nanowires were a subject for the high resolution electronic structures studies by X-ray absorption near edge structure technique performed with the usage of high intensity synchrotron radiation of the SRC storage ring of the University of Wisconsin-Madison. The different oxidation rates were found by investigation of silicon atoms local surrounding specificity of the highly developed surface and near surface layer that is not exceeded 70 nm. Flexibility of the wires arrays surface morphology and its composition is demonstrated allowing smoothly form necessary surface oxidation rate and using Si nanowires as a useful matrixes for a wide range of further functionalization.

Porous Silicon Nanowires

PubMed Central

Qu, Yongquan; Zhou, Hailong; Duan, Xiangfeng

2011-01-01

In this minreview, 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 battery, gas sensor and drug delivery. PMID:21869999

Adaptive resolution simulation of an atomistic protein in MARTINI water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zavadlav, Julija; Melo, Manuel Nuno; Marrink, Siewert J., E-mail: s.j.marrink@rug.nl

2014-02-07

We present an adaptive resolution simulation of protein G in multiscale water. We couple atomistic water around the protein with mesoscopic water, where four water molecules are represented with one coarse-grained bead, farther away. We circumvent the difficulties that arise from coupling to the coarse-grained model via a 4-to-1 molecule coarse-grain mapping by using bundled water models, i.e., we restrict the relative movement of water molecules that are mapped to the same coarse-grained bead employing harmonic springs. The water molecules change their resolution from four molecules to one coarse-grained particle and vice versa adaptively on-the-fly. Having performed 15 ns long molecularmore » dynamics simulations, we observe within our error bars no differences between structural (e.g., root-mean-squared deviation and fluctuations of backbone atoms, radius of gyration, the stability of native contacts and secondary structure, and the solvent accessible surface area) and dynamical properties of the protein in the adaptive resolution approach compared to the fully atomistically solvated model. Our multiscale model is compatible with the widely used MARTINI force field and will therefore significantly enhance the scope of biomolecular simulations.« less

Adaptive resolution simulation of an atomistic protein in MARTINI water.

PubMed

Zavadlav, Julija; Melo, Manuel Nuno; Marrink, Siewert J; Praprotnik, Matej

2014-02-07

We present an adaptive resolution simulation of protein G in multiscale water. We couple atomistic water around the protein with mesoscopic water, where four water molecules are represented with one coarse-grained bead, farther away. We circumvent the difficulties that arise from coupling to the coarse-grained model via a 4-to-1 molecule coarse-grain mapping by using bundled water models, i.e., we restrict the relative movement of water molecules that are mapped to the same coarse-grained bead employing harmonic springs. The water molecules change their resolution from four molecules to one coarse-grained particle and vice versa adaptively on-the-fly. Having performed 15 ns long molecular dynamics simulations, we observe within our error bars no differences between structural (e.g., root-mean-squared deviation and fluctuations of backbone atoms, radius of gyration, the stability of native contacts and secondary structure, and the solvent accessible surface area) and dynamical properties of the protein in the adaptive resolution approach compared to the fully atomistically solvated model. Our multiscale model is compatible with the widely used MARTINI force field and will therefore significantly enhance the scope of biomolecular simulations.

Effects of length dispersity and film fabrication on the sheet resistance of copper nanowire transparent conductors

NASA Astrophysics Data System (ADS)

Borchert, James W.; Stewart, Ian E.; Ye, Shengrong; Rathmell, Aaron R.; Wiley, Benjamin J.; Winey, Karen I.

2015-08-01

Development of thin-film transparent conductors (TC) based on percolating networks of metal nanowires has leaped forward in recent years, owing to the improvement of nanowire synthetic methods and modeling efforts by several research groups. While silver nanowires are the first commercially viable iteration of this technology, systems based on copper nanowires are not far behind. Here we present an analysis of TCs composed of copper nanowire networks on sheets of polyethylene terephthalate that have been treated with various oxide-removing post treatments to improve conductivity. A pseudo-2D rod network modeling approach has been modified to include lognormal distributions in length that more closely reflect experimental data collected from the nanowire TCs. In our analysis, we find that the copper nanowire TCs are capable of achieving comparable electrical performance to silver nanowire TCs with similar dimensions. Lastly, we present a method for more accurately determining the nanowire area coverage in a TC over a large area using Rutherford Backscattering Spectrometry (RBS) to directly measure the metal content in the TCs. These developments will aid research and industry groups alike in the characterization of nanowire based TCs.Development of thin-film transparent conductors (TC) based on percolating networks of metal nanowires has leaped forward in recent years, owing to the improvement of nanowire synthetic methods and modeling efforts by several research groups. While silver nanowires are the first commercially viable iteration of this technology, systems based on copper nanowires are not far behind. Here we present an analysis of TCs composed of copper nanowire networks on sheets of polyethylene terephthalate that have been treated with various oxide-removing post treatments to improve conductivity. A pseudo-2D rod network modeling approach has been modified to include lognormal distributions in length that more closely reflect experimental data collected

Bisecting Microfluidic Channels with Metallic Nanowires Fabricated by Nanoskiving.

PubMed

Kalkman, Gerard A; Zhang, Yanxi; Monachino, Enrico; Mathwig, Klaus; Kamminga, Machteld E; Pourhossein, Parisa; Oomen, Pieter E; Stratmann, Sarah A; Zhao, Zhiyuan; van Oijen, Antoine M; Verpoorte, Elisabeth; Chiechi, Ryan C

2016-02-23

This paper describes the fabrication of millimeter-long gold nanowires that bisect the center of microfluidic channels. We fabricated the nanowires by nanoskiving and then suspended them over a trench in a glass structure. The channel was sealed by bonding it to a complementary poly(dimethylsiloxane) structure. The resulting structures place the nanowires in the region of highest flow, as opposed to the walls, where it approaches zero, and expose their entire surface area to fluid. We demonstrate active functionality, by constructing a hot-wire anemometer to measure flow through determining the change in resistance of the nanowire as a function of heat dissipation at low voltage (<5 V). Further, passive functionality is demonstrated by visualizing individual, fluorescently labeled DNA molecules attached to the wires. We measure rates of flow and show that, compared to surface-bound DNA strands, elongation saturates at lower rates of flow and background fluorescence from nonspecific binding is reduced.

A Configurational-Bias-Monte-Carlo Back-Mapping Algorithm for Efficient and Rapid Conversion of Coarse-Grained Water Structures Into Atomistic Models.

PubMed

Loeffler, Troy David; Chan, Henry; Narayanan, Badri; Cherukara, Mathew J; Gray, Stephen K; Sankaranarayanan, Subramanian K R S

2018-06-20

Coarse-grained molecular dynamics (MD) simulations represent a powerful approach to simulate longer time scale and larger length scale phenomena than those accessible to all-atom models. The gain in efficiency, however, comes at the cost of atomistic details. The reverse transformation, also known as back-mapping, of coarse grained beads into their atomistic constituents represents a major challenge. Most existing approaches are limited to specific molecules or specific force-fields and often rely on running a long time atomistic MD of the back-mapped configuration to arrive at an optimal solution. Such approaches are problematic when dealing with systems with high diffusion barriers. Here, we introduce a new extension of the configurational-bias-Monte-Carlo (CBMC) algorithm, which we term the crystalline-configurational-bias-Monte-Carlo (C-CBMC) algortihm, that allows rapid and efficient conversion of a coarse-grained model back into its atomistic representation. Although the method is generic, we use a coarse-grained water model as a representative example and demonstrate the back-mapping or reverse transformation for model systems ranging from the ice-liquid water interface to amorphous and crystalline ice configurations. A series of simulations using the TIP4P/Ice model are performed to compare the new CBMC method to several other standard Monte Carlo and Molecular Dynamics based back-mapping techniques. In all the cases, the C-CBMC algorithm is able to find optimal hydrogen bonded configuration many thousand evaluations/steps sooner than the other methods compared within this paper. For crystalline ice structures such as a hexagonal, cubic, and cubic-hexagonal stacking disorder structures, the C-CBMC was able to find structures that were between 0.05 and 0.1 eV/water molecule lower in energy than the ground state energies predicted by the other methods. Detailed analysis of the atomistic structures show a significantly better global hydrogen positioning when

Effect of alloying on screw dislocation structure in Mo: atomistic modelling approach with ab-initio parametrization

NASA Astrophysics Data System (ADS)

Gornostyrev, Yu. N.

2005-03-01

The plastic deformation in bcc metals is realized by the motion of screw dislocations with a complex star-like non-planar core. In this case, the direct investigation of the solute effect by first principles electronic structure calculations is a challenging problem for which we follow a combined approach that includes atomistic dislocation modelling with ab-initio parametrization of interatomic interactions. The screw dislocation core structure in Mo alloys is described within the model of atomic row displacements along a dislocation line with the interatomic row potential estimated from total energy full-potential linear muffin-tin orbital (FLMTO) calculations with the generalized gradient approximation (GGA) for the exchange-correlation potential. We demonstrate (1) that the solute effect on the dislocation structure is different for ``hard'' and ``easy'' cores and (2) that the softener addition in a ``hard'' core gives rise to a structural transformation into a configuration with a lower energy through an intermediate state. The softener solute is shown to disturb locally the three-fold symmetry of the dislocation core and the dislocation structure tends to the split planar core.

Single-photon imager based on a superconducting nanowire delay line

NASA Astrophysics Data System (ADS)

Zhao, Qing-Yuan; Zhu, Di; Calandri, Niccolò; Dane, Andrew E.; McCaughan, Adam N.; Bellei, Francesco; Wang, Hao-Zhu; Santavicca, Daniel F.; Berggren, Karl K.

2017-03-01

Detecting spatial and temporal information of individual photons is critical to applications in spectroscopy, communication, biological imaging, astronomical observation and quantum-information processing. Here we demonstrate a scalable single-photon imager using a single continuous superconducting nanowire that is not only a single-photon detector but also functions as an efficient microwave delay line. In this context, photon-detection pulses are guided in the nanowire and enable the readout of the position and time of photon-absorption events from the arrival times of the detection pulses at the nanowire's two ends. Experimentally, we slowed down the velocity of pulse propagation to ∼2% of the speed of light in free space. In a 19.7 mm long nanowire that meandered across an area of 286 × 193 μm2, we were able to resolve ∼590 effective pixels with a temporal resolution of 50 ps (full width at half maximum). The nanowire imager presents a scalable approach for high-resolution photon imaging in space and time.

Effect of nanowire curviness on the percolation resistivity of transparent, conductive metal nanowire networks

NASA Astrophysics Data System (ADS)

Hicks, Jeremy; Li, Junying; Ying, Chen; Ural, Ant

2018-05-01

We study the effect of nanowire curviness on the percolation resistivity of transparent, conductive metal nanowire networks by Monte Carlo simulations. We generate curvy nanowires as one-dimensional sticks using 3rd-order Bézier curves. The degree of curviness in the network is quantified by the concept of curviness angle and curl ratio. We systematically study the interaction between the effect of curviness and five other nanowire/device parameters on the network resistivity, namely nanowire density, nanowire length, device length, device width, and nanowire alignment. We find that the resistivity exhibits a power law dependence on the curl ratio, which is a signature of percolation transport. In each case, we extract the power-law scaling critical exponents and explain the results using geometrical and physical arguments. The value of the curl ratio critical exponent is not universal, but increases as the other nanowire/device parameters drive the network toward the percolation threshold. We find that, for randomly oriented networks, curviness is undesirable since it increases the resistivity. For well-aligned networks, on the other hand, some curviness is highly desirable, since the resistivity minimum occurs for partially curvy nanowires. We explain these results by considering the two competing effects of curviness on the percolation resistivity. The results presented in this work can be extended to any network, film, or nanocomposite consisting of one-dimensional nanoelements. Our results show that Monte Carlo simulations are an essential predictive tool for both studying the percolation transport and optimizing the electronic properties of transparent, conductive nanowire networks for a wide range of applications.

Triple-twin domains in Mg doped GaN wurtzite nanowires: structural and electronic properties of this zinc-blende-like stacking

NASA Astrophysics Data System (ADS)

Arbiol, Jordi; Estradé, Sònia; Prades, Joan D.; Cirera, Albert; Furtmayr, Florian; Stark, Christoph; Laufer, Andreas; Stutzmann, Martin; Eickhoff, Martin; Gass, Mhairi H.; Bleloch, Andrew L.; Peiró, Francesca; Morante, Joan R.

2009-04-01

We report on the effect of Mg doping on the properties of GaN nanowires grown by plasma assisted molecular beam epitaxy. The most significant feature is the presence of triple-twin domains, the density of which increases with increasing Mg concentration. The resulting high concentration of misplaced atoms gives rise to local changes in the crystal structure equivalent to the insertion of three non-relaxed zinc-blende (ZB) atomic cells, which result in quantum wells along the wurtzite (WZ) nanowire growth axis. High resolution electron energy loss spectra were obtained exactly on the twinned (zinc-blende) and wurtzite planes. These atomically resolved measurements, which allow us to identify modifications in the local density of states, revealed changes in the band to band electronic transition energy from 3.4 eV for wurtzite to 3.2 eV in the twinned lattice regions. These results are in good agreement with specific ab initio atomistic simulations and demonstrate that the redshift observed in previous photoluminescence analyses is directly related to the presence of these zinc-blende domains, opening up new possibilities for band-structure engineering.

Long-time atomistic simulations with the Parallel Replica Dynamics method

NASA Astrophysics Data System (ADS)

Perez, Danny

Molecular Dynamics (MD) -- the numerical integration of atomistic equations of motion -- is a workhorse of computational materials science. Indeed, MD can in principle be used to obtain any thermodynamic or kinetic quantity, without introducing any approximation or assumptions beyond the adequacy of the interaction potential. It is therefore an extremely powerful and flexible tool to study materials with atomistic spatio-temporal resolution. These enviable qualities however come at a steep computational price, hence limiting the system sizes and simulation times that can be achieved in practice. While the size limitation can be efficiently addressed with massively parallel implementations of MD based on spatial decomposition strategies, allowing for the simulation of trillions of atoms, the same approach usually cannot extend the timescales much beyond microseconds. In this article, we discuss an alternative parallel-in-time approach, the Parallel Replica Dynamics (ParRep) method, that aims at addressing the timescale limitation of MD for systems that evolve through rare state-to-state transitions. We review the formal underpinnings of the method and demonstrate that it can provide arbitrarily accurate results for any definition of the states. When an adequate definition of the states is available, ParRep can simulate trajectories with a parallel speedup approaching the number of replicas used. We demonstrate the usefulness of ParRep by presenting different examples of materials simulations where access to long timescales was essential to access the physical regime of interest and discuss practical considerations that must be addressed to carry out these simulations. Work supported by the United States Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division.

Quantum optics with nanowires (Conference Presentation)

NASA Astrophysics Data System (ADS)

Zwiller, Val

2017-02-01

Nanowires offer new opportunities for nanoscale quantum optics; the quantum dot geometry in semiconducting nanowires as well as the material composition and environment can be engineered with unprecedented freedom to improve the light extraction efficiency. Quantum dots in nanowires are shown to be efficient single photon sources, in addition because of the very small fine structure splitting, we demonstrate the generation of entangled pairs of photons from a nanowire. By doping a nanowire and making ohmic contacts on both sides, a nanowire light emitting diode can be obtained with a single quantum dot as the active region. Under forward bias, this will act as an electrically pumped source of single photons. Under reverse bias, an avalanche effect can multiply photocurrent and enables the detection of single photons. Another type of nanowire under study in our group is superconducting nanowires for single photon detection, reaching efficiencies, time resolution and dark counts beyond currently available detectors. We will discuss our first attempts at combining semiconducting nanowire based single photon emitters and superconducting nanowire single photon detectors on a chip to realize integrated quantum circuits.

Piezoresistive boron doped diamond nanowire

DOEpatents

Sumant, Anirudha V.; Wang, Xinpeng

2017-07-04

A UNCD nanowire comprises a first end electrically coupled to a first contact pad which is disposed on a substrate. A second end is electrically coupled to a second contact pad also disposed on the substrate. The UNCD nanowire is doped with a dopant and disposed over the substrate. The UNCD nanowire is movable between a first configuration in which no force is exerted on the UNCD nanowire and a second configuration in which the UNCD nanowire bends about the first end and the second end in response to a force. The UNCD nanowire has a first resistance in the first configuration and a second resistance in the second configuration which is different from the first resistance. The UNCD nanowire is structured to have a gauge factor of at least about 70, for example, in the range of about 70 to about 1,800.

Piezoresistive boron doped diamond nanowire

DOEpatents

Sumant, Anirudha V.; Wang, Xinpeng

2016-09-13

A UNCD nanowire comprises a first end electrically coupled to a first contact pad which is disposed on a substrate. A second end is electrically coupled to a second contact pad also disposed on the substrate. The UNCD nanowire is doped with a dopant and disposed over the substrate. The UNCD nanowire is movable between a first configuration in which no force is exerted on the UNCD nanowire and a second configuration in which the UNCD nanowire bends about the first end and the second end in response to a force. The UNCD nanowire has a first resistance in the first configuration and a second resistance in the second configuration which is different from the first resistance. The UNCD nanowire is structured to have a gauge factor of at least about 70, for example, in the range of about 70 to about 1,800.

Atomistic study of the graphene nanobubbles

NASA Astrophysics Data System (ADS)

Iakovlev, Evgeny; Zhilyaev, Petr; Akhatov, Iskander

2017-11-01

A two-dimensional (2D) heterostructures can be created using 2D crystals stacking method. Substance can be trapped between the layers which leads to formation of the surface nanobubbles. We study nanobubbles trapped between graphene layers with argon atoms inside using molecular dynamics approach. For bubbles with radius in range 7-34 nm the solid close-packed state of argon is found, although according to bulk argon phase diagram the fluid phase must be observed. The universal shape scaling (constant ratio of height to radius), which is found experimentally and proved by the theory of elasticity of membranes, is also observed in our atomistic simulations. An unusual pancake shape (extremely small height to radius ratio) is found for smallest nanobubble with radius 7 nm. The nanobubbles with similar shape were experimentally observed at the interface between water and hydrophobic surface.

Quantifying sampling noise and parametric uncertainty in atomistic-to-continuum simulations using surrogate models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salloum, Maher N.; Sargsyan, Khachik; Jones, Reese E.

2015-08-11

We present a methodology to assess the predictive fidelity of multiscale simulations by incorporating uncertainty in the information exchanged between the components of an atomistic-to-continuum simulation. We account for both the uncertainty due to finite sampling in molecular dynamics (MD) simulations and the uncertainty in the physical parameters of the model. Using Bayesian inference, we represent the expensive atomistic component by a surrogate model that relates the long-term output of the atomistic simulation to its uncertain inputs. We then present algorithms to solve for the variables exchanged across the atomistic-continuum interface in terms of polynomial chaos expansions (PCEs). We alsomore » consider a simple Couette flow where velocities are exchanged between the atomistic and continuum components, while accounting for uncertainty in the atomistic model parameters and the continuum boundary conditions. Results show convergence of the coupling algorithm at a reasonable number of iterations. As a result, the uncertainty in the obtained variables significantly depends on the amount of data sampled from the MD simulations and on the width of the time averaging window used in the MD simulations.« less

Nonpolar InGaN/GaN Core-Shell Single Nanowire Lasers.

PubMed

Li, Changyi; Wright, Jeremy B; Liu, Sheng; Lu, Ping; Figiel, Jeffrey J; Leung, Benjamin; Chow, Weng W; Brener, Igal; Koleske, Daniel D; Luk, Ting-Shan; Feezell, Daniel F; Brueck, S R J; Wang, George T

2017-02-08

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core-shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core-shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core-shell nanowires, despite significantly shorter cavity lengths and reduced active region volume. Mode simulations show that due to the core-shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. The results show the viability of this p-i-n nonpolar core-shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV-visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.

Nonpolar InGaN/GaN core–shell single nanowire lasers

DOE PAGES

Li, Changyi; Wright, Jeremy Benjamin; Liu, Sheng; ...

2017-01-24

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core–shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core–shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core–shell nanowires, despite significantly shorter cavity lengths and reducedmore » active region volume. Mode simulations show that due to the core–shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. Furthermore, the results show the viability of this p-i-n nonpolar core–shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV–visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.« less

Plasmonic engineering of metal-oxide nanowire heterojunctions in integrated nanowire rectification units

NASA Astrophysics Data System (ADS)

Lin, Luchan; Zou, Guisheng; Liu, Lei; Duley, Walt W.; Zhou, Y. Norman

2016-05-01

We show that irradiation with femtosecond laser pulses can produce robust nanowire heterojunctions in coupled non-wetting metal-oxide Ag-TiO2 structures. Simulations indicate that joining arises from the effect of strong plasmonic localization in the region of the junction. Strong electric field effects occur in both Ag and TiO2 resulting in the modification of both surfaces and an increase in wettability of TiO2, facilitating the interconnection of Ag and TiO2 nanowires. Irradiation leads to the creation of a thin layer of highly defected TiO2 in the contact region between the Ag and TiO2 nanowires. The presence of this layer allows the formation of a heterojunction and offers the possibility of engineering the electronic characteristics of interfacial structures. Rectifying junctions with single and bipolar properties have been generated in Ag-TiO2 nanowire circuits incorporating asymmetrical and symmetrical interfacial structures, respectively. This fabrication technique should be applicable for the interconnection of other heterogeneous metal-oxide nanowire components and demonstrates that femtosecond laser irradiation enables interfacial engineering for electronic applications of integrated nanowire structures.

Differences in optoelectronic properties between H-saturated and unsaturated GaN nanowires with DFT method

NASA Astrophysics Data System (ADS)

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

2017-05-01

To investigate the influences of dangling bonds on GaN nanowires surface, the differences in optoelectronic properties between H-saturated and unsaturated GaN nanowires are researched through first-principles study. The GaN nanowires along the [0001] growth direction with diameters of 3.7, 7.5 and 9.5 Å are considered. According to the results, H-saturated GaN nanowires are more stable than the unsaturated ones. With increasing nanowire diameter, unsaturated GaN nanowires become more stable, while the stability of H-saturated GaN nanowires has little change. After geometry optimization, the atomic displacements of unsaturated and H-saturated models are almost reversed. In (0001) crystal plane, Ga atoms tend to move inwards and N atoms tend to move outwards slightly for the unsaturated nanowires, while Ga atoms tend to move outwards and N atoms tend to move inwards slightly for the H-saturated nanowires. Besides, with increasing nanowire diameter, the conduction band minimum of H-saturated nanowire moves to the lower energy side, while that of the unsaturated nanowire changes slightly. The bandgaps of H-saturated nanowires are approaching to bulk GaN as the diameter increases. Absorption curves and reflectivity curves of the unsaturated and H-saturated nanowires exhibit the same trend with the change of energy except the H-saturated models which show larger variations. Through all the calculated results above, we can better understand the effects of dangling bonds on the optoelectronic properties of GaN nanowires and select more proper calculation models and methods for other calculations.

Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment

DOE PAGES

Taylor, Christopher D.

2012-01-01

Atomistic simulation is a powerful tool for probing the structure and properties of materials and the nature of chemical reactions. Corrosion is a complex process that involves chemical reactions occurring at the interface between a material and its environment and is, therefore, highly suited to study by atomistic modeling techniques. In this paper, the complex nature of corrosion processes and mechanisms is briefly reviewed. Various atomistic methods for exploring corrosion mechanisms are then described, and recent applications in the literature surveyed. Several instances of the application of atomistic modeling to corrosion science are then reviewed in detail, including studies ofmore » the metal-water interface, the reaction of water on electrified metallic interfaces, the dissolution of metal atoms from metallic surfaces, and the role of competitive adsorption in controlling the chemical nature and structure of a metallic surface. Some perspectives are then given concerning the future of atomistic modeling in the field of corrosion science.« less

Growing Oxide Nanowires and Nanowire Networks by Solid State Contact Diffusion into Solution-Processed Thin Films.

PubMed

Glynn, Colm; McNulty, David; Geaney, Hugh; O'Dwyer, Colm

2016-11-01

New techniques to directly grow metal oxide nanowire networks without the need for initial nanoparticle seed deposition or postsynthesis nanowire casting will bridge the gap between bottom-up formation and top-down processing for many electronic, photonic, energy storage, and conversion technologies. Whether etched top-down, or grown from catalyst nanoparticles bottom-up, nanowire growth relies on heterogeneous material seeds. Converting surface oxide films, ubiquitous in the microelectronics industry, to nanowires and nanowire networks by the incorporation of extra species through interdiffusion can provide an alternative deposition method. It is shown that solution-processed thin films of oxides can be converted and recrystallized into nanowires and networks of nanowires by solid-state interdiffusion of ionic species from a mechanically contacted donor substrate. NaVO 3 nanowire networks on smooth Si/SiO 2 and granular fluorine-doped tin oxide surfaces can be formed by low-temperature annealing of a Na diffusion species-containing donor glass to a solution-processed V 2 O 5 thin film, where recrystallization drives nanowire growth according to the crystal habit of the new oxide phase. This technique illustrates a new method for the direct formation of complex metal oxide nanowires on technologically relevant substrates, from smooth semiconductors, to transparent conducting materials and interdigitated device structures. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A silicon nanowire heater and thermometer

NASA Astrophysics Data System (ADS)

Zhao, Xingyan; Dan, Yaping

2017-07-01

In the thermal conductivity measurements of thermoelectric materials, heaters and thermometers made of the same semiconducting materials under test, forming a homogeneous system, will significantly simplify fabrication and integration. In this work, we demonstrate a high-performance heater and thermometer made of single silicon nanowires (SiNWs). The SiNWs are patterned out of a silicon-on-insulator wafer by CMOS-compatible fabrication processes. The electronic properties of the nanowires are characterized by four-probe and low temperature Hall effect measurements. The I-V curves of the nanowires are linear at small voltage bias. The temperature dependence of the nanowire resistance allows the nanowire to be used as a highly sensitive thermometer. At high voltage bias, the I-V curves of the nanowire become nonlinear due to the effect of Joule heating. The temperature of the nanowire heater can be accurately monitored by the nanowire itself as a thermometer.

Nanometer-scale modification and welding of silicon and metallic nanowires with a high-intensity electron beam.

PubMed

Xu, Shengyong; Tian, Mingliang; Wang, Jinguo; Xu, Jian; Redwing, Joan M; Chan, Moses H W

2005-12-01

We demonstrate that a high-intensity electron beam can be applied to create holes, gaps, and other patterns of atomic and nanometer dimensions on a single nanowire, to weld individual nanowires to form metal-metal or metal-semiconductor junctions, and to remove the oxide shell from a crystalline nanowire. In single-crystalline Si nanowires, the beam induces instant local vaporization and local amorphization. In metallic Au, Ag, Cu, and Sn nanowires, the beam induces rapid local surface melting and enhanced surface diffusion, in addition to local vaporization. These studies open up a novel approach for patterning and connecting nanomaterials in devices and circuits at the nanometer scale.

One-Step Synthesis of Au-Ag Nanowires through Microorganism-Mediated, CTAB-Directed Approach.

PubMed

Xu, Luhang; Huang, Dengpo; Chen, Huimei; Jing, Xiaoling; Huang, Jiale; Odoom-Wubah, Tareque; Li, Qingbiao

2018-05-28

Synthesis and applications of one dimensional (1D) metal nanostructures have attracted much attention. However, one-step synthesis of bimetallic nanowires (NWs) has remained challenging. In this work, we developed a microorganism-mediated, hexadecyltrimethylammonium bromide (CTAB)-directed (MCD) approach to synthesize closely packed and long Au-Ag NWs with the assistance of a continuous injection pump. Characterization results confirmed that the branched Au-Ag alloy NWs was polycrystalline. And the Au-Ag NWs exhibited a strong absorbance at around 1950 nm in the near-infrared (NIR) region, which can find potential application in NIR absorption. In addition, the Au-Ag NWs showed excellent surface-enhanced Raman scattering (SERS) enhancement when 4-mercaptobenzoic acid (MBA) and rhodamine 6G (R6G) were used as probe molecules.

Study of GaN nanowires converted from β-Ga2O3 and photoconduction in a single nanowire

NASA Astrophysics Data System (ADS)

Kumar, Mukesh; Kumar, Sudheer; Chauhan, Neha; Sakthi Kumar, D.; Kumar, Vikram; Singh, R.

2017-08-01

The formation of GaN nanowires from β-Ga2O3 nanowires and photoconduction in a fabricated single GaN nanowire device has been studied. Wurtzite phase GaN were formed from monoclinic β-Ga2O3 nanowires with or without catalyst particles at their tips. The formation of faceted nanostructures from catalyst droplets presented on a nanowire tip has been discussed. The nucleation of GaN phases in β-Ga2O3 nanowires and their subsequent growth due to interfacial strain energy has been examined using a high resolution transmission electron microscope. The high quality of the converted GaN nanowire is confirmed by fabricating single nanowire photoconducting devices which showed ultra high responsivity under ultra-violet illumination.

Ultralight Conductive Silver Nanowire Aerogels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, Fang; Lan, Pui Ching; Freyman, Megan C.

Low-density metal foams have many potential applications in electronics, energy storage, catalytic supports, fuel cells, sensors, and medical devices. Here in this work, we report a new method for fabricating ultralight, conductive silver aerogel monoliths with predictable densities using silver nanowires. Silver nanowire building blocks were prepared by polyol synthesis and purified by selective precipitation. Silver aerogels were produced by freeze-casting nanowire aqueous suspensions followed by thermal sintering to weld the nanowire junctions. As-prepared silver aerogels have unique anisotropic microporous structures, with density precisely controlled by the nanowire concentration, down to 4.8 mg/cm 3 and an electrical conductivity up tomore » 51 000 S/m. Lastly, mechanical studies show that silver nanowire aerogels exhibit “elastic stiffening” behavior with a Young’s modulus up to 16 800 Pa.« less

Ultralight Conductive Silver Nanowire Aerogels

DOE PAGES

Qian, Fang; Lan, Pui Ching; Freyman, Megan C.; ...

2017-09-05

Low-density metal foams have many potential applications in electronics, energy storage, catalytic supports, fuel cells, sensors, and medical devices. Here in this work, we report a new method for fabricating ultralight, conductive silver aerogel monoliths with predictable densities using silver nanowires. Silver nanowire building blocks were prepared by polyol synthesis and purified by selective precipitation. Silver aerogels were produced by freeze-casting nanowire aqueous suspensions followed by thermal sintering to weld the nanowire junctions. As-prepared silver aerogels have unique anisotropic microporous structures, with density precisely controlled by the nanowire concentration, down to 4.8 mg/cm 3 and an electrical conductivity up tomore » 51 000 S/m. Lastly, mechanical studies show that silver nanowire aerogels exhibit “elastic stiffening” behavior with a Young’s modulus up to 16 800 Pa.« less

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.

Piezoelectric properties of zinc oxide nanowires: an ab initio study.

PubMed

Korir, K K; Cicero, G; Catellani, A

2013-11-29

Nanowires made of materials with non-centrosymmetric crystal structures are expected to be ideal building blocks for self-powered nanodevices due to their piezoelectric properties, yet a controversial explanation of the effective operational mechanisms and size effects still delays their real exploitation. To solve this controversy, we propose a methodology based on DFT calculations of the response of nanostructures to external deformations that allows us to distinguish between the different (bulk and surface) contributions: we apply this scheme to evaluate the piezoelectric properties of ZnO [0001] nanowires, with a diameter up to 2.3 nm. Our results reveal that, while surface and confinement effects are negligible, effective strain energies, and thus the nanowire mechanical response, are dependent on size. Our unified approach allows for a proper definition of piezoelectric coefficients for nanostructures, and explains in a rigorous way the reason why nanowires are found to be more sensitive to mechanical deformation than the corresponding bulk material.

High energy density in PVDF nanocomposites using an optimized nanowire array.

PubMed

Guo, Ru; Luo, Hang; Liu, Weiwei; Zhou, Xuefan; Tang, Lin; Zhou, Kechao; Zhang, Dou

2018-06-22

TiO2 nanowire arrays are often utilized to prepare high performance polymer nanocomposites, however, the contribution to the energy density is limited due to their non-ferroelectric characteristics. A nanocomposite with an optimized nanowire array combining the ferroelectric properties of lead zirconate titanate (PZT) with TiO2, readily forming nanowires (denoted as a TiO2-P nanowire array), is prepared to enhance the permittivity. Poly(vinylidene fluoride) (PVDF) is used as the polymer matrix due to its high breakdown strength, e.g. 600-700 kV mm-1. As a result, the permittivity and breakdown electric field reach 53 at 1 kHz and 550 kV mm-1, respectively. Therefore, the nanocomposites achieve a higher discharge energy density of 12.4 J cm-3 with excellent cycle stability, which is the highest among nanocomposites based on a nanowire array as a filler in a PVDF matrix. This work provides not only a feasible approach to obtain high performance dielectric nanocomposites, but also a wide range of potential applications in the energy storage and energy harvesting fields.

Programmable growth of branched silicon nanowires using a focused ion beam.

PubMed

Jun, Kimin; Jacobson, Joseph M

2010-08-11

Although significant progress has been made in being able to spatially define the position of material layers in vapor-liquid-solid (VLS) grown nanowires, less work has been carried out in deterministically defining the positions of nanowire branching points to facilitate more complicated structures beyond simple 1D wires. Work to date has focused on the growth of randomly branched nanowire structures. Here we develop a means for programmably designating nanowire branching points by means of focused ion beam-defined VLS catalytic points. This technique is repeatable without losing fidelity allowing multiple rounds of branching point definition followed by branch growth resulting in complex structures. The single crystal nature of this approach allows us to describe resulting structures with linear combinations of base vectors in three-dimensional (3D) space. Finally, by etching the resulting 3D defined wire structures branched nanotubes were fabricated with interconnected nanochannels inside. We believe that the techniques developed here should comprise a useful tool for extending linear VLS nanowire growth to generalized 3D wire structures.

Substrateless Welding of Self-Assembled Silver Nanowires at Air/Water Interface.

PubMed

Hu, Hang; Wang, Zhongyong; Ye, Qinxian; He, Jiaqing; Nie, Xiao; He, Gufeng; Song, Chengyi; Shang, Wen; Wu, Jianbo; Tao, Peng; Deng, Tao

2016-08-10

Integrating connected silver nanowire networks with flexible polymers has appeared as a popular way to prepare flexible electronics. To reduce the contact resistance and enhance the connectivity between silver nanowires, various welding techniques have been developed. Herein, rather than welding on solid supporting substrates, which often requires complicated transferring operations and also may pose damage to heat-sensitive substrates, we report an alternative approach to prepare easily transferrable conductive networks through welding of self-assembled silver nanowires at the air/water interface using plasmonic heating. The intriguing welding behavior of partially aligned silver nanowires was analyzed with combined experimental observation and theoretical modeling. The underlying water not only physically supports the assembled silver nanowires but also buffers potential overheating during the welding process, thereby enabling effective welding within a broad range of illumination power density and illumination duration. The welded networks could be directly integrated with PDMS substrates to prepare high-performance stable flexible heaters that are stretchable, bendable, and can be easily patterned to explore selective heating applications.

Lipid nanotube or nanowire sensor

DOEpatents

Noy, Aleksandr [Belmont, CA; Bakajin, Olgica [San Leandro, CA; Letant, Sonia [Livermore, CA; Stadermann, Michael [Dublin, CA; Artyukhin, Alexander B [Menlo Park, CA

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.

Lipid nanotube or nanowire sensor

DOEpatents

Noy, Aleksandr [Belmont, CA; Bakajin, Olgica [San Leandro, CA; Letant, Sonia [Livermore, CA; Stadermann, Michael [Dublin, CA; Artyukhin, Alexander B [Menlo Park, CA

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.

Multiscale Study of Plasmonic Scattering and Light Trapping Effect in Silicon Nanowire Array Solar Cells.

PubMed

Meng, Lingyi; Zhang, Yu; Yam, ChiYung

2017-02-02

Nanometallic structures that support surface plasmons provide new ways to confine light at deep-subwavelength scales. The effect of light scattering in nanowire array solar cells is studied by a multiscale approach combining classical electromagnetic (EM) and quantum mechanical simulations. A photovoltaic device is constructed by integrating a silicon nanowire array with a plasmonic silver nanosphere. The light scatterings by plasmonic element and nanowire array are obtained via classical EM simulations, while current-voltage characteristics and optical properties of the nanowire cells are evaluated quantum mechanically. We found that the power conversion efficiency (PCE) of photovoltaic device is substantially improved due to the local field enhancement of the plasmonic effect and light trapping by the nanowire array. In addition, we showed that there exists an optimal nanowire number density in terms of optical confinement and solar cell PCE.

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.

Toward optimized light utilization in nanowire arrays using scalable nanosphere lithography and selected area growth.

PubMed

Madaria, Anuj R; Yao, Maoqing; Chi, Chunyung; Huang, Ningfeng; Lin, Chenxi; Li, Ruijuan; Povinelli, Michelle L; Dapkus, P Daniel; Zhou, Chongwu

2012-06-13

Vertically aligned, catalyst-free semiconducting nanowires hold great potential for photovoltaic applications, in which achieving scalable synthesis and optimized optical absorption simultaneously is critical. Here, we report combining nanosphere lithography (NSL) and selected area metal-organic chemical vapor deposition (SA-MOCVD) for the first time for scalable synthesis of vertically aligned gallium arsenide nanowire arrays, and surprisingly, we show that such nanowire arrays with patterning defects due to NSL can be as good as highly ordered nanowire arrays in terms of optical absorption and reflection. Wafer-scale patterning for nanowire synthesis was done using a polystyrene nanosphere template as a mask. Nanowires grown from substrates patterned by NSL show similar structural features to those patterned using electron beam lithography (EBL). Reflection of photons from the NSL-patterned nanowire array was used as a measure of the effect of defects present in the structure. Experimentally, we show that GaAs nanowires as short as 130 nm show reflection of <10% over the visible range of the solar spectrum. Our results indicate that a highly ordered nanowire structure is not necessary: despite the "defects" present in NSL-patterned nanowire arrays, their optical performance is similar to "defect-free" structures patterned by more costly, time-consuming EBL methods. Our scalable approach for synthesis of vertical semiconducting nanowires can have application in high-throughput and low-cost optoelectronic devices, including solar cells.

Vertical architecture for enhancement mode power transistors based on GaN nanowires

NASA Astrophysics Data System (ADS)

Yu, F.; Rümmler, D.; Hartmann, J.; Caccamo, L.; Schimpke, T.; Strassburg, M.; Gad, A. E.; Bakin, A.; Wehmann, H.-H.; Witzigmann, B.; Wasisto, H. S.; Waag, A.

2016-05-01

The demonstration of vertical GaN wrap-around gated field-effect transistors using GaN nanowires is reported. The nanowires with smooth a-plane sidewalls have hexagonal geometry made by top-down etching. A 7-nanowire transistor exhibits enhancement mode operation with threshold voltage of 1.2 V, on/off current ratio as high as 108, and subthreshold slope as small as 68 mV/dec. Although there is space charge limited current behavior at small source-drain voltages (Vds), the drain current (Id) and transconductance (gm) reach up to 314 mA/mm and 125 mS/mm, respectively, when normalized with hexagonal nanowire circumference. The measured breakdown voltage is around 140 V. This vertical approach provides a way to next-generation GaN-based power devices.

A highly flexible platform for nanowire sensor assembly using a combination of optically induced and conventional dielectrophoresis.

PubMed

Lin, Yen-Heng; Ho, Kai-Siang; Yang, Chin-Tien; Wang, Jung-Hao; Lai, Chao-Sung

2014-06-02

The number and position of assembled nanowires cannot be controlled using most nanowire sensor assembling methods. In this paper, we demonstrate a high-yield, highly flexible platform for nanowire sensor assembly using a combination of optically induced dielectrophoresis (ODEP) and conventional dielectrophoresis (DEP). With the ODEP platform, optical images can be used as virtual electrodes to locally turn on a non-contact DEP force and manipulate a micron- or nano-scale substance suspended in fluid. Nanowires were first moved next to the previously deposited metal electrodes using optical images and, then, were attracted to and arranged in the gap between two electrodes through DEP forces generated by switching on alternating current signals to the metal electrodes. A single nanowire can be assembled within 24 seconds using this approach. In addition, the number of nanowires in a single nanowire sensor can be controlled, and the assembly of a single nanowire on each of the adjacent electrodes can also be achieved. The electrical properties of the assembled nanowires were characterized by IV curve measurement. Additionally, the contact resistance between the nanowires and electrodes and the stickiness between the nanowires and substrates were further investigated in this study.

The Mechanical Properties of Nanowires

PubMed Central

Wang, Shiliang; Shan, Zhiwei

2017-01-01

Applications of nanowires into future generation nanodevices require a complete understanding of the mechanical properties of the nanowires. A great research effort has been made in the past two decades to understand the deformation physics and mechanical behaviors of nanowires, and to interpret the discrepancies between experimental measurements and theoretical predictions. This review focused on the characterization and understanding of the mechanical properties of nanowires, including elasticity, plasticity, anelasticity and strength. As the results from the previous literature in this area appear inconsistent, a critical evaluation of the characterization techniques and methodologies were presented. In particular, the size effects of nanowires on the mechanical properties and their deformation mechanisms were discussed. PMID:28435775

Quantum dots coupled ZnO nanowire-array panels and their photocatalytic activities.

PubMed

Liao, Yulong; Que, Wenxiu; Zhang, Jin; Zhong, Peng; Yuan, Yuan; Qiu, Xinku; Shen, Fengyu

2013-02-01

Fabrication and characterization of a heterojunction structured by CdS quantum dots@ZnO nanowire-array panels were presented. Firstly, ZnO nanowire-array panels were prepared by using a chemical bath deposition approach where wurtzite ZnO nanowires with a diameter of about 100 nm and 3 microm in length grew perpendicularly to glass substrate. Secondly, CdS quantum dots were deposited onto the surface of the ZnO nanowire-arrays by using successive ion layer absorption and reaction method, and the CdS shell/ZnO core heterojunction were thus obtained. Field emission scanning electron microscopy and transmission electron microscope were employed to characterize the morphological properties of the as-obtained CdS quantum dots@ZnO nanowire-array panels. X-ray diffraction was adopted to characterize the crystalline properties of the as-obtained CdS quantum dots@ZnO nanowire-array panels. Methyl orange was taken as a model compound to confirm the photocatalytic activities of the CdS shell/ZnO core heterojunction. Results indicate that CdS with narrow band gap not only acts as a visible-light sensitizer but also is responsible for an effective charge separation.

Methods for synthesizing metal oxide nanowires

DOEpatents

Sunkara, Mahendra Kumar; Kumar, Vivekanand; Kim, Jeong H.; Clark, Ezra Lee

2016-08-09

A method of synthesizing a metal oxide nanowire includes the steps of: combining an amount of a transition metal or a transition metal oxide with an amount of an alkali metal compound to produce a mixture; activating a plasma discharge reactor to create a plasma discharge; exposing the mixture to the plasma discharge for a first predetermined time period such that transition metal oxide nanowires are formed; contacting the transition metal oxide nanowires with an acid solution such that an alkali metal ion is exchanged for a hydrogen ion on each of the transition metal oxide nanowires; and exposing the transition metal oxide nanowires to the plasma discharge for a second predetermined time period to thermally anneal the transition metal oxide nanowires. Transition metal oxide nanowires produced using the synthesis methods described herein are also provided.

Nanowire growth process modeling and reliability models for nanodevices

NASA Astrophysics Data System (ADS)

Fathi Aghdam, Faranak

. This work is an early attempt that uses a physical-statistical modeling approach to studying selective nanowire growth for the improvement of process yield. In the second research work, the reliability of nano-dielectrics is investigated. As electronic devices get smaller, reliability issues pose new challenges due to unknown underlying physics of failure (i.e., failure mechanisms and modes). This necessitates new reliability analysis approaches related to nano-scale devices. One of the most important nano-devices is the transistor that is subject to various failure mechanisms. Dielectric breakdown is known to be the most critical one and has become a major barrier for reliable circuit design in nano-scale. Due to the need for aggressive downscaling of transistors, dielectric films are being made extremely thin, and this has led to adopting high permittivity (k) dielectrics as an alternative to widely used SiO2 in recent years. Since most time-dependent dielectric breakdown test data on bilayer stacks show significant deviations from a Weibull trend, we have proposed two new approaches to modeling the time to breakdown of bi-layer high-k dielectrics. In the first approach, we have used a marked space-time self-exciting point process to model the defect generation rate. A simulation algorithm is used to generate defects within the dielectric space, and an optimization algorithm is employed to minimize the Kullback-Leibler divergence between the empirical distribution obtained from the real data and the one based on the simulated data to find the best parameter values and to predict the total time to failure. The novelty of the presented approach lies in using a conditional intensity for trap generation in dielectric that is a function of time, space and size of the previous defects. In addition, in the second approach, a k-out-of-n system framework is proposed to estimate the total failure time after the generation of more than one soft breakdown.

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.

On the diffraction pattern of bundled rare-earth silicide nanowires on Si(0 0 1).

PubMed

Timmer, F; Bahlmann, J; Wollschläger, J

2017-11-01

Motivated by the complex diffraction pattern observed for bundled rare-earth silicide nanowires on the Si(0 0 1) surface, we investigate the influence of the width and the spacing distribution of the nanowires on the diffraction pattern. The diffraction pattern of the bundled rare-earth silicide nanowires is analyzed by the binary surface technique applying a kinematic approach to diffraction. Assuming a categorical distribution for the (individual) nanowire size and a Poisson distribution for the size of the spacing between adjacent nanowire-bundles, we are able to determine the parameters of these distributions and derive an expression for the distribution of the nanowire-bundle size. Additionally, the comparison of our simulations to the experimental diffraction pattern reveal that a (1  ×  1)-periodicity on top of the nanowires has to be assumed for a good match.

Platinum nanowire microelectrode arrays for neurostimulation applications: Fabrication, characterization, and in-vitro retinal cell stimulation

NASA Astrophysics Data System (ADS)

Whalen, John J., III

Implantable electrical neurostimulating devices are being developed for a number of applications, including artificial vision through retinal stimulation. The epiretinal prosthesis will use a two-dimensional array microelectrodes to address individual cells of the retina. MEMS fabrication processes can produce arrays of microelectrodes with these dimensions, but there are two critical issues that they cannot satisfy. One, the stimulating electrodes are the only part of the implanted electrical device that penetrate through the water impermeable package, and must do so without sacrificing hermeticity. Two, As electrode size decreases, the current density (A cm-2 ) increases, due to increased electrochemical impedance. This reduces the amount of charge that can be safely injected into the tissue. To date, MEMS processing method, cannot produce electrode arrays with good, prolonged hermetic properties. Similarly, MEMS approaches do not account for the increased impedance caused by decreased surface area. For these reasons there is a strong motivation for the development of a water-impermeable, substrate-penetrating electrode array with low electrochemical impedance. This thesis presents a stimulating electrode array fabricated from platinum nanowires using a modified electrochemical template synthesis approach. Nanowires are electrochemically deposited from ammonium hexachloroplatinate solution into lithographically patterned nanoporous anodic alumina templates to produce microarrays of platinum nanowires. The platinum nanowires penetrating through the ceramic aluminum oxide template serve as parallel electrical conduits through the water impermeable, electrically insulating substrate. Electrode impedance can be adjusted by either controlling the nanowire hydrous platinum oxide content or by partially etching the alumina template to expose additional surface area. A stepwise approach to this project was taken. First, the electrochemistry of ammonium

Electron Transport Properties of Ge nanowires

NASA Astrophysics Data System (ADS)

Hanrath, Tobias; Khondaker, Saiful I.; Yao, Zhen; Korgel, Brian A.

2003-03-01

Electron Transport Properties of Ge nanowires Tobias Hanrath*, Saiful I. Khondaker, Zhen Yao, Brian A. Korgel* *Dept. of Chemical Engineering, Dept. of Physics, Texas Materials Institute, and Center for Nano- and Molecular Science and Technology University of Texas at Austin, Austin, Texas 78712-1062 e-mail: korgel@mail.che.utexas.edu Germanium (Ge) nanowires with diameters ranging from 6 to 50 nm and several micrometer in length were grown via a supercritical fluid-liquid-solid synthesis. Parallel electron energy loss spectroscopy (PEELS) was employed to study the band structure and electron density in the Ge nanowires. The observed increase in plasmon peak energy and peak width with decreasing nanowire diameter is attributed to quantum confinement effects. For electrical characterization, Ge nanowires were deposited onto a patterned Si/SiO2 substrate. E-beam lithography was then used to form electrode contacts to individual nanowires. The influence of nanowire diameter, surface chemistry and crystallographic defects on electron transport properties were investigated and the comparison of Ge nanowire conductivity with respect to bulk, intrinsic Ge will be presented.

Stress-dependence of kinetic transitions at atomistic defects

NASA Astrophysics Data System (ADS)

Ball, S. L.; Alexander, K. C.; Schuh, C. A.

2018-01-01

The full second-rank activation volume tensors associated with vacancy migration in FCC copper and HCP titanium as well as transition events in the Σ5 (2 1 0) grain boundary in copper are calculated and analyzed. The full tensorial results quantitatively illustrate how the conventional use of an activation volume scalar in atomistic studies of the kinetic processes of complex defects can miss important stress dependencies, in that neither hydrostatic pressure nor deviatoric stress dependencies can be considered alone as dominating the response. The results speak to the importance of anisotropies in the stress-dependence of atomistic kinetics, including crystal structure anisotropy, elastic anisotropy, and defect structure or migration-path anisotropies.

Atomistic Computer Simulations of Water Interactions and Dissolution of Inorganic Glasses

DOE PAGES

Du, Jincheng; Rimsza, Jessica

2017-09-01

Computational simulations at the atomistic level play an increasing important role in understanding the structures, behaviors, and the structure-property relationships of glass and amorphous materials. In this paper, we reviewed atomistic simulation methods ranging from first principles calculations and ab initio molecular dynamics (AIMD), to classical molecular dynamics (MD) and meso-scale kinetic Monte Carlo (KMC) simulations and their applications to glass-water interactions and glass dissolutions. Particularly, the use of these simulation methods in understanding the reaction mechanisms of water with oxide glasses, water-glass interfaces, hydrated porous silica gels formation, the structure and properties of multicomponent glasses, and microstructure evolution aremore » reviewed. Here, the advantages and disadvantageous of these methods are discussed and the current challenges and future direction of atomistic simulations in glass dissolution are presented.« less

Atomistic properties of γ uranium.

PubMed

Beeler, Benjamin; Deo, Chaitanya; Baskes, Michael; Okuniewski, Maria

2012-02-22

The properties of the body-centered cubic γ phase of uranium (U) are calculated using atomistic simulations. First, a modified embedded-atom method interatomic potential is developed for the high temperature body-centered cubic (γ) phase of U. This phase is stable only at high temperatures and is thus relatively inaccessible to first principles calculations and room temperature experiments. Using this potential, equilibrium volume and elastic constants are calculated at 0 K and found to be in close agreement with previous first principles calculations. Further, the melting point, heat capacity, enthalpy of fusion, thermal expansion and volume change upon melting are calculated and found to be in reasonable agreement with experiment. The low temperature mechanical instability of γ U is correctly predicted and investigated as a function of pressure. The mechanical instability is suppressed at pressures greater than 17.2 GPa. The vacancy formation energy is analyzed as a function of pressure and shows a linear trend, allowing for the calculation of the extrapolated zero pressure vacancy formation energy. Finally, the self-defect formation energy is analyzed as a function of temperature. This is the first atomistic calculation of γ U properties above 0 K with interatomic potentials.

Atomistic properties of γ uranium

NASA Astrophysics Data System (ADS)

Beeler, Benjamin; Deo, Chaitanya; Baskes, Michael; Okuniewski, Maria

2012-02-01

The properties of the body-centered cubic γ phase of uranium (U) are calculated using atomistic simulations. First, a modified embedded-atom method interatomic potential is developed for the high temperature body-centered cubic (γ) phase of U. This phase is stable only at high temperatures and is thus relatively inaccessible to first principles calculations and room temperature experiments. Using this potential, equilibrium volume and elastic constants are calculated at 0 K and found to be in close agreement with previous first principles calculations. Further, the melting point, heat capacity, enthalpy of fusion, thermal expansion and volume change upon melting are calculated and found to be in reasonable agreement with experiment. The low temperature mechanical instability of γ U is correctly predicted and investigated as a function of pressure. The mechanical instability is suppressed at pressures greater than 17.2 GPa. The vacancy formation energy is analyzed as a function of pressure and shows a linear trend, allowing for the calculation of the extrapolated zero pressure vacancy formation energy. Finally, the self-defect formation energy is analyzed as a function of temperature. This is the first atomistic calculation of γ U properties above 0 K with interatomic potentials.

Recent advances in large-scale assembly of semiconducting inorganic nanowires and nanofibers for electronics, sensors and photovoltaics.

PubMed

Long, Yun-Ze; Yu, Miao; Sun, Bin; Gu, Chang-Zhi; Fan, Zhiyong

2012-06-21

Semiconducting inorganic nanowires (NWs), nanotubes and nanofibers have been extensively explored in recent years as potential building blocks for nanoscale electronics, optoelectronics, chemical/biological/optical sensing, and energy harvesting, storage and conversion, etc. Besides the top-down approaches such as conventional lithography technologies, nanowires are commonly grown by the bottom-up approaches such as solution growth, template-guided synthesis, and vapor-liquid-solid process at a relatively low cost. Superior performance has been demonstrated using nanowires devices. However, most of the nanowire devices are limited to the demonstration of single devices, an initial step toward nanoelectronic circuits, not adequate for production on a large scale at low cost. Controlled and uniform assembly of nanowires with high scalability is still one of the major bottleneck challenges towards the materials and device integration for electronics. In this review, we aim to present recent progress toward nanowire device assembly technologies, including flow-assisted alignment, Langmuir-Blodgett assembly, bubble-blown technique, electric/magnetic- field-directed assembly, contact/roll printing, planar growth, bridging method, and electrospinning, etc. And their applications in high-performance, flexible electronics, sensors, photovoltaics, bioelectronic interfaces and nano-resonators are also presented.

Analysis of an optimization-based atomistic-to-continuum coupling method for point defects

DOE PAGES

Olson, Derek; Shapeev, Alexander V.; Bochev, Pavel B.; ...

2015-11-16

Here, we formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Application of a potential-based atomistic model near the defect core enables accurate simulation of the defect. Away from the core, where site energies become nearly independent of the lattice position, the method switches to a more efficient continuum model. The two models are merged by minimizing the mismatch of their states on an overlap region, subject to the atomistic and continuum force balance equations acting independently in their domains. We prove that the optimization problem is well-posed and establish error estimates.

Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations.

PubMed

Gu, Ruo-Xu; Ingólfsson, Helgi I; de Vries, Alex H; Marrink, Siewert J; Tieleman, D Peter

2017-04-20

Gangliosides are glycolipids in which an oligosaccharide headgroup containing one or more sialic acids is connected to a ceramide. Gangliosides reside in the outer leaflet of the plasma membrane and play a crucial role in various physiological processes such as cell signal transduction and neuronal differentiation by modulating structures and functions of membrane proteins. Because the detailed behavior of gangliosides and protein-ganglioside interactions are poorly known, we investigated the interactions between the gangliosides GM1 and GM3 and the proteins aquaporin (AQP1) and WALP23 using equilibrium molecular dynamics simulations and potential of mean force calculations at both coarse-grained (CG) and atomistic levels. In atomistic simulations, on the basis of the GROMOS force field, ganglioside aggregation appears to be a result of the balance between hydrogen bond interactions and steric hindrance of the headgroups. GM3 clusters are slightly larger and more ordered than GM1 clusters due to the smaller headgroup of GM3. The different structures of GM1 and GM3 clusters from atomistic simulations are not observed at the CG level based on the Martini model, implying a difference in driving forces for ganglioside interactions in atomistic and CG simulations. For protein-ganglioside interactions, in the atomistic simulations, GM1 lipids bind to specific sites on the AQP1 surface, whereas they are depleted from WALP23. In the CG simulations, the ganglioside binding sites on the AQP1 surface are similar, but ganglioside aggregation and protein-ganglioside interactions are more prevalent than in the atomistic simulations. Using the polarizable Martini water model, results were closer to the atomistic simulations. Although experimental data for validation is lacking, we proposed modified Martini parameters for gangliosides to more closely mimic the sizes and structures of ganglioside clusters observed at the atomistic level.

Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations

PubMed Central

2016-01-01

Gangliosides are glycolipids in which an oligosaccharide headgroup containing one or more sialic acids is connected to a ceramide. Gangliosides reside in the outer leaflet of the plasma membrane and play a crucial role in various physiological processes such as cell signal transduction and neuronal differentiation by modulating structures and functions of membrane proteins. Because the detailed behavior of gangliosides and protein-ganglioside interactions are poorly known, we investigated the interactions between the gangliosides GM1 and GM3 and the proteins aquaporin (AQP1) and WALP23 using equilibrium molecular dynamics simulations and potential of mean force calculations at both coarse-grained (CG) and atomistic levels. In atomistic simulations, on the basis of the GROMOS force field, ganglioside aggregation appears to be a result of the balance between hydrogen bond interactions and steric hindrance of the headgroups. GM3 clusters are slightly larger and more ordered than GM1 clusters due to the smaller headgroup of GM3. The different structures of GM1 and GM3 clusters from atomistic simulations are not observed at the CG level based on the Martini model, implying a difference in driving forces for ganglioside interactions in atomistic and CG simulations. For protein-ganglioside interactions, in the atomistic simulations, GM1 lipids bind to specific sites on the AQP1 surface, whereas they are depleted from WALP23. In the CG simulations, the ganglioside binding sites on the AQP1 surface are similar, but ganglioside aggregation and protein-ganglioside interactions are more prevalent than in the atomistic simulations. Using the polarizable Martini water model, results were closer to the atomistic simulations. Although experimental data for validation is lacking, we proposed modified Martini parameters for gangliosides to more closely mimic the sizes and structures of ganglioside clusters observed at the atomistic level. PMID:27610460

Preparation of nanowire specimens for laser-assisted atom probe tomography

NASA Astrophysics Data System (ADS)

Blumtritt, H.; Isheim, D.; Senz, S.; Seidman, D. N.; Moutanabbir, O.

2014-10-01

The availability of reliable and well-engineered commercial instruments and data analysis software has led to development in recent years of robust and ergonomic atom-probe tomographs. Indeed, atom-probe tomography (APT) is now being applied to a broader range of materials classes that involve highly important scientific and technological problems in materials science and engineering. Dual-beam focused-ion beam microscopy and its application to the fabrication of APT microtip specimens have dramatically improved the ability to probe a variety of systems. However, the sample preparation is still challenging especially for emerging nanomaterials such as epitaxial nanowires which typically grow vertically on a substrate through metal-catalyzed vapor phase epitaxy. The size, morphology, density, and sensitivity to radiation damage are the most influential parameters in the preparation of nanowire specimens for APT. In this paper, we describe a step-by-step process methodology to allow a precisely controlled, damage-free transfer of individual, short silicon nanowires onto atom probe microposts. Starting with a dense array of tiny nanowires and using focused ion beam, we employed a sequence of protective layers and markers to identify the nanowire to be transferred and probed while protecting it against Ga ions during lift-off processing and tip sharpening. Based on this approach, high-quality three-dimensional atom-by-atom maps of single aluminum-catalyzed silicon nanowires are obtained using a highly focused ultraviolet laser-assisted local electrode atom probe tomograph.

DNA-Templated Pd Conductive Metallic Nanowires

NASA Astrophysics Data System (ADS)

Nguyen, K.; Monteverde, M.; Lyonnais, S.; Campidelli, S.; Bourgoin, J.-Ph.; Filoramo, A.

2008-10-01

Because of its unique recognition properties, its size and the sub-nanometric resolution, DNA is of particular interest for positioning and organizing nanomaterials. However, in DNA-directed nanoelectronic it can be envisioned to use DNA not only as a positioning scaffold, but also as a support for the conducting element. To ensure this function a metallization process is necessary and among the various DNA metallization methods the Pd based ones are of particular interest for carbon nanotube transistor connections. In this field, the major drawback of the existing methods is the fast kinetics of the process which lead to a stochastic growth. Here, we present a novel approach to DNA Pd metalization where the DNA molecule is previously deposited on a dry substrate in a typical nanodevice configuration. In our approach the progressive growth of nanowires is achieved by the slow and selective precipitation of PdO, followed by a subsequent reduction step. Thanks to this strategy we fabricated homogeneous, continuous and conductive Pd nanowires on the DNA scaffolds of very thin diameter (20-25 nm).

Mechanically Assisted Self-Healing of Ultrathin Gold Nanowires.

PubMed

Wang, Binjun; Han, Ying; Xu, Shang; Qiu, Lu; Ding, Feng; Lou, Jun; Lu, Yang

2018-04-17

As the critical feature sizes of integrated circuits approaching sub-10 nm, ultrathin gold nanowires (diameter <10 nm) have emerged as one of the most promising candidates for next-generation interconnects in nanoelectronics. Also due to their ultrasmall dimensions, however, the structures and morphologies of ultrathin gold nanowires are more prone to be damaged during practical services, for example, Rayleigh instability can significantly alter their morphologies upon Joule heating, hindering their applications as interconnects. Here, it is shown that upon mechanical perturbations, predamaged, nonuniform ultrathin gold nanowires can quickly recover into uniform diameters and restore their smooth surfaces, via a simple mechanically assisted self-healing process. By examining the local self-healing process through in situ high-resolution transmission electron microscopy, the underlying mechanism is believed to be associated with surface atomic diffusion as evidenced by molecular dynamics simulations. In addition, mechanical manipulation can assist the atoms to overcome the diffusion barriers, as suggested by ab initio calculations, to activate more surface adatoms to diffuse and consequently speed up the self-healing process. This result can provide a facile method to repair ultrathin metallic nanowires directly in functional devices, and quickly restore their microstructures and morphologies by simple global mechanical perturbations. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simple synthetic route to manganese-containing nanowires with the spinel crystal structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Lei; Zhang, Yan; Hudak, Bethany M.

This report describes a new route to synthesize single-crystalline manganese-containing spinel nanowires (NWs) by a two-step hydrothermal and solid-state synthesis. Interestingly, a nanowire or nanorod morphology is maintained during conversion from MnO{sub 2}/MnOOH to CuMn{sub 2}O{sub 4}/Mg{sub 2}MnO{sub 4}, despite the massive structural rearrangement this must involve. Linear sweep voltammetry (LSV) curves of the products give preliminary demonstration that CuMn{sub 2}O{sub 4} NWs are catalytically active towards the oxygen evolution reaction (OER) in alkaline solution, exhibiting five times the magnitude of current density found with pure carbon black. - Highlights: • Synthesis of single-crystalline manganese-containing spinel nanowires. • Binary oxidemore » nanowire converted to ternary oxide wire through solid state reaction. • Approach to structure conversion with shape retention could be generally applicable. • Copper and Manganese display multiple oxidation states with potential for catalysis. • CuMn{sub 2}O{sub 4} nanowires show promise as catalysts for the oxygen evolution reaction.« less

Piezoresistive silicon nanowire resonators as embedded building blocks in thick SOI

NASA Astrophysics Data System (ADS)

Nasr Esfahani, Mohammad; Kilinc, Yasin; Çagatay Karakan, M.; Orhan, Ezgi; Hanay, M. Selim; Leblebici, Yusuf; Erdem Alaca, B.

2018-04-01

The use of silicon nanowire resonators in nanoelectromechanical systems for new-generation sensing and communication devices faces integration challenges with higher-order structures. Monolithic and deterministic integration of such nanowires with the surrounding microscale architecture within the same thick crystal is a critical aspect for the improvement of throughput, reliability and device functionality. A monolithic and IC-compatible technology based on a tuned combination of etching and protection processes was recently introduced yielding silicon nanowires within a 10 μ m-thick device layer. Motivated by its success, the implications of the technology regarding the electromechanical resonance are studied within a particular setting, where the resonator is co-fabricated with all terminals and tuning electrodes. Frequency response is measured via piezoresistive readout with frequency down-mixing. Measurements indicate mechanical resonance with frequencies as high as 100 MHz exhibiting a Lorentzian behavior with proper transition to nonlinearity, while Allan deviation on the order of 3-8 ppm is achieved. Enabling the fabrication of silicon nanowires in thick silicon crystals using conventional semiconductor manufacturing, the present study thus demonstrates an alternative pathway to bottom-up and thin silicon-on-insulator approaches for silicon nanowire resonators.

Enhanced optical properties due to indium incorporation in zinc oxide nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farid, S.; Mukherjee, S.; Sarkar, K.

Indium-doped zinc oxide nanowires grown by vapor-liquid-solid technique with 1.6 at. % indium content show intense room temperature photoluminescence (PL) that is red shifted to 20 meV from band edge. We report on a combination of nanowires and nanobelts-like structures with enhanced optical properties after indium doping. The near band edge emission shift gives an estimate for the carrier density as high as 5.5 × 10{sup 19 }cm{sup −3} for doped nanowires according to Mott's critical density theory. Quenching of the visible green peak is seen for doped nanostructures indicating lesser oxygen vacancies and improved quality. PL and transmission electron microscopy measurementsmore » confirm indium doping into the ZnO lattice, whereas temperature dependent PL data give an estimation of the donor and acceptor binding energies that agrees well with indium doped nanowires. This provides a non-destructive technique to estimate doping for 1D structures as compared to the traditional FET approach. Furthermore, these indium doped nanowires can be a potential candidate for transparent conducting oxides applications and spintronic devices with controlled growth mechanism.« less

Indium nanowires at the silicon surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kozhukhov, A. S., E-mail: antonkozhukhov@yandex.ru; Sheglov, D. V.; Latyshev, A. V.

2016-07-15

Conductive indium nanowires up to 50 nm in width and up to 10 μm in length are fabricated on the surface of silicon by local resputtering from the probe of an atomic-force microscope. The transfer of indium from the probe of the atomic-force microscope onto the silicon surface is initiated by applying a potential between the probe and the surface as they approach each other to spacings, at which the mutual repulsive force is ~10{sup –7} N. The conductivity of the nanowires ranges from 7 × 10{sup –3} to 4 × 10{sup –2} Ω cm, which is several orders ofmore » magnitude lower than that in the case of the alternative technique of heat transfer.« less

Conductance of kinked nanowires

NASA Astrophysics Data System (ADS)

Cook, B. G.; Varga, K.

2011-01-01

The conductance properties of kinked nanowires are studied by first-principles transport calculations within a recently developed complex potential framework. Using prototypical examples of monoatomic Au chains as well as small diameter single-crystalline silicon nanowires we show that transmission strongly depends on the kink geometry and one can tune the conductance properties by the kink angle and other geometrical factors. In the case of a silicon nanowire the presence of a kink drastically reduces the conductance.

Flexible White Light Emitting Diodes Based on Nitride Nanowires and Nanophosphors

PubMed Central

2016-01-01

We report the first demonstration of flexible white phosphor-converted light emitting diodes (LEDs) based on p–n junction core/shell nitride nanowires. GaN nanowires containing seven radial In0.2Ga0.8N/GaN quantum wells were grown by metal–organic chemical vapor deposition on a sapphire substrate by a catalyst-free approach. To fabricate the flexible LED, the nanowires are embedded into a phosphor-doped polymer matrix, peeled off from the growth substrate, and contacted using a flexible and transparent silver nanowire mesh. The electroluminescence of a flexible device presents a cool-white color with a spectral distribution covering a broad spectral range from 400 to 700 nm. Mechanical bending stress down to a curvature radius of 5 mm does not yield any degradation of the LED performance. The maximal measured external quantum efficiency of the white LED is 9.3%, and the wall plug efficiency is 2.4%. PMID:27331079

Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes.

PubMed

Wang, Rulin; Zhang, Yu; Bi, Fuzhen; Frauenheim, Thomas; Chen, GuanHua; Yam, ChiYung

2016-07-21

Understanding of the electroluminescence (EL) mechanism in optoelectronic devices is imperative for further optimization of their efficiency and effectiveness. Here, a quantum mechanical approach is formulated for modeling the EL processes in nanoscale light emitting diodes (LED). Based on non-equilibrium Green's function quantum transport equations, interactions with the electromagnetic vacuum environment are included to describe electrically driven light emission in the devices. The presented framework is illustrated by numerical simulations of a silicon nanowire LED device. EL spectra of the nanowire device under different bias voltages are obtained and, more importantly, the radiation pattern and polarization of optical emission can be determined using the current approach. This work is an important step forward towards atomistic quantum mechanical modeling of the electrically induced optical response in nanoscale systems.

Benzoin Radicals as Reducing Agent for Synthesizing Ultrathin Copper Nanowires.

PubMed

Cui, Fan; Dou, Letian; Yang, Qin; Yu, Yi; Niu, Zhiqiang; Sun, Yuchun; Liu, Hao; Dehestani, Ahmad; Schierle-Arndt, Kerstin; Yang, Peidong

2017-03-01

In this work, we report a new, general synthetic approach that uses heat driven benzoin radicals to grow ultrathin copper nanowires with tunable diameters. This is the first time carbon organic radicals have been used as a reducing agent in metal nanowire synthesis. In-situ temperature dependent electron paramagnetic resonance (EPR) spectroscopic studies show that the active reducing agent is the free radicals produced by benzoins under elevated temperature. Furthermore, the reducing power of benzoin can be readily tuned by symmetrically decorating functional groups on the two benzene rings. When the aromatic rings are modified with electron donating (withdrawing) groups, the reducing power is promoted (suppressed). The controllable reactivity gives the carbon organic radical great potential as a versatile reducing agent that can be generalized in other metallic nanowire syntheses.

Reaction pathways in atomistic models of thin film growth

NASA Astrophysics Data System (ADS)

Lloyd, Adam L.; Zhou, Ying; Yu, Miao; Scott, Chris; Smith, Roger; Kenny, Steven D.

2017-10-01

The atomistic processes that form the basis of thin film growth often involve complex multi-atom movements of atoms or groups of atoms on or close to the surface of a substrate. These transitions and their pathways are often difficult to predict in advance. By using an adaptive kinetic Monte Carlo (AKMC) approach, many complex mechanisms can be identified so that the growth processes can be understood and ultimately controlled. Here the AKMC technique is briefly described along with some special adaptions that can speed up the simulations when, for example, the transition barriers are small. Examples are given of such complex processes that occur in different material systems especially for the growth of metals and metallic oxides.

Controllable High-Speed Rotation of Nanowires

NASA Astrophysics Data System (ADS)

Fan, D. L.; Zhu, F. Q.; Cammarata, R. C.; Chien, C. L.

2005-06-01

We report a versatile method for executing controllable high-speed rotation of nanowires by ac voltages applied to multiple electrodes. The rotation of the nanowires can be instantly switched on or off with precisely controlled rotation speed (to at least 1800 rpm), definite chirality, and total angle of rotation. We have determined the torque due to the fluidic drag force on nanowire of different lengths. We also demonstrate a micromotor using a rotating nanowire driving a dust particle into circular motion. This method has been used to rotate magnetic and nonmagnetic nanowires as well as carbon nanotubes.

Nanowire growth and sublimation: CdTe quantum dots in ZnTe nanowires

NASA Astrophysics Data System (ADS)

Orrù, M.; Robin, E.; Den Hertog, M.; Moratis, K.; Genuist, Y.; André, R.; Ferrand, D.; Cibert, J.; Bellet-Amalric, E.

2018-04-01

The role of the sublimation of the compound and of the evaporation of the constituents from the gold nanoparticle during the growth of semiconductor nanowires is exemplified with CdTe-ZnTe heterostructures. Operating close to the upper temperature limit strongly reduces the amount of Cd present in the gold nanoparticle and the density of adatoms on the nanowire sidewalls. As a result, the growth rate is small and strongly temperature dependent, but a good control of the growth conditions allows the incorporation of quantum dots in nanowires with sharp interfaces and adjustable shape, and it minimizes the radial growth and the subsequent formation of additional CdTe clusters on the nanowire sidewalls, as confirmed by photoluminescence. Uncapped CdTe segments dissolve into the gold nanoparticle when interrupting the flux, giving rise to a bulblike (pendant-droplet) shape attributed to the Kirkendall effect.

Controlled fabrication of photoactive copper oxide-cobalt oxide nanowire heterostructures for efficient phenol photodegradation.

PubMed

Shi, Wenwu; Chopra, Nitin

2012-10-24

Fabrication of oxide nanowire heterostructures with controlled morphology, interface, and phase purity is critical for high-efficiency and low-cost photocatalysis. Here, we have studied the formation of copper oxide-cobalt nanowire heterostructures by sputtering and subsequent air annealing to result in cobalt oxide (Co(3)O(4))-coated CuO nanowires. This approach allowed fabrication of standing nanowire heterostructures with tunable compositions and morphologies. The vertically standing CuO nanowires were synthesized in a thermal growth method. The shell growth kinetics of Co and Co(3)O(4) on CuO nanowires, morphological evolution of the shell, and nanowire self-shadowing effects were found to be strongly dependent on sputtering duration, air-annealing conditions, and alignment of CuO nanowires. Finite element method (FEM) analysis indicated that alignment and stiffness of CuO-Co nanowire heterostructures greatly influenced the nanomechanical aspects such as von Mises equivalent stress distribution and bending of nanowire heterostructures during the Co deposition process. This fundamental knowledge was critical for the morphological control of Co and Co(3)O(4) on CuO nanowires with desired interfaces and a uniform coating. Band gap energies and phenol photodegradation capability of CuO-Co(3)O(4) nanowire heterostructures were studied as a function of Co(3)O(4) morphology. Multiple absorption edges and band gap tailings were observed for these heterostructures, indicating photoactivity from visible to UV range. A polycrystalline Co(3)O(4) shell on CuO nanowires showed the best photodegradation performance (efficiency ~50-90%) in a low-powered UV or visible light illumination with a sacrificial agent (H(2)O(2)). An anomalously high efficiency (~67.5%) observed under visible light without sacrificial agent for CuO nanowires coated with thin (∼5.6 nm) Co(3)O(4) shell and nanoparticles was especially interesting. Such photoactive heterostructures demonstrate unique

Cleaved-coupled nanowire lasers

PubMed Central

Gao, Hanwei; Fu, Anthony; Andrews, Sean C.; Yang, Peidong

2013-01-01

The miniaturization of optoelectronic devices is essential for the continued success of photonic technologies. Nanowires have been identified as potential building blocks that mimic conventional photonic components such as interconnects, waveguides, and optical cavities at the nanoscale. Semiconductor nanowires with high optical gain offer promising solutions for lasers with small footprints and low power consumption. Although much effort has been directed toward controlling their size, shape, and composition, most nanowire lasers currently suffer from emitting at multiple frequencies simultaneously, arising from the longitudinal modes native to simple Fabry–Pérot cavities. Cleaved-coupled cavities, two Fabry–Pérot cavities that are axially coupled through an air gap, are a promising architecture to produce single-frequency emission. The miniaturization of this concept, however, imposes a restriction on the dimensions of the intercavity gaps because severe optical losses are incurred when the cross-sectional dimensions of cavities become comparable to the lasing wavelength. Here we theoretically investigate and experimentally demonstrate spectral manipulation of lasing modes by creating cleaved-coupled cavities in gallium nitride (GaN) nanowires. Lasing operation at a single UV wavelength at room temperature was achieved using nanoscale gaps to create the smallest cleaved-coupled cavities to date. Besides the reduced number of lasing modes, the cleaved-coupled nanowires also operate with a lower threshold gain than that of the individual component nanowires. Good agreement was found between the measured lasing spectra and the predicted spectral modes obtained by simulating optical coupling properties. This agreement between theory and experiment presents design principles to rationally control the lasing modes in cleaved-coupled nanowire lasers. PMID:23284173

AACSD: An atomistic analyzer for crystal structure and defects

NASA Astrophysics Data System (ADS)

Liu, Z. R.; Zhang, R. F.

2018-01-01

We have developed an efficient command-line program named AACSD (Atomistic Analyzer for Crystal Structure and Defects) for the post-analysis of atomic configurations generated by various atomistic simulation codes. The program has implemented not only the traditional filter methods like the excess potential energy (EPE), the centrosymmetry parameter (CSP), the common neighbor analysis (CNA), the common neighborhood parameter (CNP), the bond angle analysis (BAA), and the neighbor distance analysis (NDA), but also the newly developed ones including the modified centrosymmetry parameter (m-CSP), the orientation imaging map (OIM) and the local crystallographic orientation (LCO). The newly proposed OIM and LCO methods have been extended for all three crystal structures including face centered cubic, body centered cubic and hexagonal close packed. More specially, AACSD can be easily used for the atomistic analysis of metallic nanocomposite with each phase to be analyzed independently, which provides a unique pathway to capture their dynamic evolution of various defects on the fly. In this paper, we provide not only a throughout overview on various theoretical methods and their implementation into AACSD program, but some critical evaluations, specific testing and applications, demonstrating the capability of the program on each functionality.

3d visualization of atomistic simulations on every desktop

NASA Astrophysics Data System (ADS)

Peled, Dan; Silverman, Amihai; Adler, Joan

2013-08-01

Once upon a time, after making simulations, one had to go to a visualization center with fancy SGI machines to run a GL visualization and make a movie. More recently, OpenGL and its mesa clone have let us create 3D on simple desktops (or laptops), whether or not a Z-buffer card is present. Today, 3D a la Avatar is a commodity technique, presented in cinemas and sold for home TV. However, only a few special research centers have systems large enough for entire classes to view 3D, or special immersive facilities like visualization CAVEs or walls, and not everyone finds 3D immersion easy to view. For maximum physics with minimum effort a 3D system must come to each researcher and student. So how do we create 3D visualization cheaply on every desktop for atomistic simulations? After several months of attempts to select commodity equipment for a whole room system, we selected an approach that goes back a long time, even predating GL. The old concept of anaglyphic stereo relies on two images, slightly displaced, and viewed through colored glasses, or two squares of cellophane from a regular screen/projector or poster. We have added this capability to our AViz atomistic visualization code in its new, 6.1 version, which is RedHat, CentOS and Ubuntu compatible. Examples using data from our own research and that of other groups will be given.

Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study

NASA Astrophysics Data System (ADS)

Choi, Won-Mi; Jo, Yong Hee; Sohn, Seok Su; Lee, Sunghak; Lee, Byeong-Joo

2018-01-01

Although high-entropy alloys (HEAs) are attracting interest, the physical metallurgical mechanisms related to their properties have mostly not been clarified, and this limits wider industrial applications, in addition to the high alloy costs. We clarify the physical metallurgical reasons for the materials phenomena (sluggish diffusion and micro-twining at cryogenic temperatures) and investigate the effect of individual elements on solid solution hardening for the equiatomic CoCrFeMnNi HEA based on atomistic simulations (Monte Carlo, molecular dynamics and molecular statics). A significant number of stable vacant lattice sites with high migration energy barriers exists and is thought to cause the sluggish diffusion. We predict that the hexagonal close-packed (hcp) structure is more stable than the face-centered cubic (fcc) structure at 0 K, which we propose as the fundamental reason for the micro-twinning at cryogenic temperatures. The alloying effect on the critical resolved shear stress (CRSS) is well predicted by the atomistic simulation, used for a design of non-equiatomic fcc HEAs with improved strength, and is experimentally verified. This study demonstrates the applicability of the proposed atomistic approach combined with a thermodynamic calculation technique to a computational design of advanced HEAs.

Coupled, Simultaneous Displacement and Dealloying Reactions into Fe-Ni-Co Nanowires for Thinning Nanowire Segments.

PubMed

Geng, Xiaohua; Podlaha, Elizabeth J

2016-12-14

A new methodology is reported to shape template-assisted electrodeposition of Fe-rich, Fe-Ni-Co nanowires to have a thin nanowire segment using a coupled displacement reaction with a more noble elemental ion, Cu(II), and at the same time dealloying predominantly Fe from Fe-Ni-Co by the reduction of protons (H + ), followed by a subsequent etching step. The displacement/dealloyed layer was sandwiched between two trilayers of Fe-Ni-Co to facilitate the characterization of the reaction front, or penetration length. The penetration length region was found to be a function of the ratio of proton and Cu(II) concentration, and a ratio of 0.5 was found to provide the largest penetration rate, and hence the larger thinned length of the nanowire. Altering the etching time affected the diameter of the thinned region. This methodology presents a new way to thin nanowire segments connected to larger nanowire sections and also introduces a way to study the propagation of a reaction front into a nanowire.

Synthesis and excellent field emission properties of three-dimensional branched GaN nanowire homostructures

NASA Astrophysics Data System (ADS)

Li, Enling; Sun, Lihe; Cui, Zhen; Ma, Deming; Shi, Wei; Wang, Xiaolin

2016-10-01

Three-dimensional branched GaN nanowire homostructures have been synthesized on the Si substrate via a two-step approach by chemical vapor deposition. Structural characterization reveals that the single crystal GaN nanowire trunks have hexagonal wurtzite characteristics and grow along the [0001] direction, while the homoepitaxial single crystal branches grow in a radial direction from the six-sided surfaces of the trunks. The field emission measurements demonstrate that the branched GaN nanowire homostructures have excellent field emission properties, with low turn-on field at 2.35 V/μm, a high field enhancement factor of 2938, and long emission current stability. This indicates that the present branched GaN nanowire homostructures will become valuable for practical field emission applications.

Functionalised zinc oxide nanowire gas sensors: Enhanced NO(2) gas sensor response by chemical modification of nanowire surfaces.

PubMed

Waclawik, Eric R; Chang, Jin; Ponzoni, Andrea; Concina, Isabella; Zappa, Dario; Comini, Elisabetta; Motta, Nunzio; Faglia, Guido; Sberveglieri, Giorgio

2012-01-01

Surface coating with an organic self-assembled monolayer (SAM) can enhance surface reactions or the absorption of specific gases and hence improve the response of a metal oxide (MOx) sensor toward particular target gases in the environment. In this study the effect of an adsorbed organic layer on the dynamic response of zinc oxide nanowire gas sensors was investigated. The effect of ZnO surface functionalisation by two different organic molecules, tris(hydroxymethyl)aminomethane (THMA) and dodecanethiol (DT), was studied. The response towards ammonia, nitrous oxide and nitrogen dioxide was investigated for three sensor configurations, namely pure ZnO nanowires, organic-coated ZnO nanowires and ZnO nanowires covered with a sparse layer of organic-coated ZnO nanoparticles. Exposure of the nanowire sensors to the oxidising gas NO(2) produced a significant and reproducible response. ZnO and THMA-coated ZnO nanowire sensors both readily detected NO(2) down to a concentration in the very low ppm range. Notably, the THMA-coated nanowires consistently displayed a small, enhanced response to NO(2) compared to uncoated ZnO nanowire sensors. At the lower concentration levels tested, ZnO nanowire sensors that were coated with THMA-capped ZnO nanoparticles were found to exhibit the greatest enhanced response. ΔR/R was two times greater than that for the as-prepared ZnO nanowire sensors. It is proposed that the ΔR/R enhancement in this case originates from the changes induced in the depletion-layer width of the ZnO nanoparticles that bridge ZnO nanowires resulting from THMA ligand binding to the surface of the particle coating. The heightened response and selectivity to the NO(2) target are positive results arising from the coating of these ZnO nanowire sensors with organic-SAM-functionalised ZnO nanoparticles.

Atomistic Design of Favored Compositions for Synthesizing the Al-Ni-Y Metallic Glasses

PubMed Central

Wang, Q.; Li, J. H.; Liu, J. B.; Liu, B. X.

2015-01-01

For a ternary alloy system promising for obtaining the so-called bulk metallic glasses (BMGs), the first priority issue is to predict the favored compositions, which could then serve as guidance for the appropriate alloy design. Taking the Al-Ni-Y system as an example, here we show an atomistic approach, which is developed based on a recently constructed and proven realistic interatomic potential of the system. Applying the Al-Ni-Y potential, series simulations not only clarify the glass formation mechanism, but also predict in the composition triangle, a hexagonal region, in which a disordered state, i.e., the glassy phase, is favored energetically. The predicted region is defined as glass formation region (GFR) for the ternary alloy system. Moreover, the approach is able to calculate an amorphization driving force (ADF) for each possible glassy alloy located within the GFR. The calculations predict an optimized sub-region nearby a stoichiometry of Al80Ni5Y15, implying that the Al-Ni-Y metallic glasses designed in the sub-region could be the most stable. Interestingly, the atomistic predictions are supported by experimental results observed in the Al-Ni-Y system. In addition, structural origin underlying the stability of the Al-Ni-Y metallic glasses is also discussed in terms of a hybrid packing mode in the medium-range scale. PMID:26592568

A universal strategy for the creation of machine learning-based atomistic force fields

NASA Astrophysics Data System (ADS)

Huan, Tran Doan; Batra, Rohit; Chapman, James; Krishnan, Sridevi; Chen, Lihua; Ramprasad, Rampi

2017-09-01

Emerging machine learning (ML)-based approaches provide powerful and novel tools to study a variety of physical and chemical problems. In this contribution, we outline a universal strategy to create ML-based atomistic force fields, which can be used to perform high-fidelity molecular dynamics simulations. This scheme involves (1) preparing a big reference dataset of atomic environments and forces with sufficiently low noise, e.g., using density functional theory or higher-level methods, (2) utilizing a generalizable class of structural fingerprints for representing atomic environments, (3) optimally selecting diverse and non-redundant training datasets from the reference data, and (4) proposing various learning approaches to predict atomic forces directly (and rapidly) from atomic configurations. From the atomistic forces, accurate potential energies can then be obtained by appropriate integration along a reaction coordinate or along a molecular dynamics trajectory. Based on this strategy, we have created model ML force fields for six elemental bulk solids, including Al, Cu, Ti, W, Si, and C, and show that all of them can reach chemical accuracy. The proposed procedure is general and universal, in that it can potentially be used to generate ML force fields for any material using the same unified workflow with little human intervention. Moreover, the force fields can be systematically improved by adding new training data progressively to represent atomic environments not encountered previously.

Atomistic Design of Favored Compositions for Synthesizing the Al-Ni-Y Metallic Glasses

NASA Astrophysics Data System (ADS)

Wang, Q.; Li, J. H.; Liu, J. B.; Liu, B. X.

2015-11-01

For a ternary alloy system promising for obtaining the so-called bulk metallic glasses (BMGs), the first priority issue is to predict the favored compositions, which could then serve as guidance for the appropriate alloy design. Taking the Al-Ni-Y system as an example, here we show an atomistic approach, which is developed based on a recently constructed and proven realistic interatomic potential of the system. Applying the Al-Ni-Y potential, series simulations not only clarify the glass formation mechanism, but also predict in the composition triangle, a hexagonal region, in which a disordered state, i.e., the glassy phase, is favored energetically. The predicted region is defined as glass formation region (GFR) for the ternary alloy system. Moreover, the approach is able to calculate an amorphization driving force (ADF) for each possible glassy alloy located within the GFR. The calculations predict an optimized sub-region nearby a stoichiometry of Al80Ni5Y15, implying that the Al-Ni-Y metallic glasses designed in the sub-region could be the most stable. Interestingly, the atomistic predictions are supported by experimental results observed in the Al-Ni-Y system. In addition, structural origin underlying the stability of the Al-Ni-Y metallic glasses is also discussed in terms of a hybrid packing mode in the medium-range scale.

Nanowire sensors and arrays for chemical/biomolecule detection

NASA Technical Reports Server (NTRS)

Yun, Minhee; Lee, Choonsup; Vasquez, Richard P.; Ramanathan, K.; Bangar, M. A.; Chen, W.; Mulchandan, A.; Myung, N. V.

2005-01-01

We report electrochemical growth of single nanowire based sensors using e-beam patterned electrolyte channels, potentially enabling the controlled fabrication of individually addressable high density arrays. The electrodeposition technique results in nanowires with controlled dimensions, positions, alignments, and chemical compositions. Using this technique, we have fabricated single palladium nanowires with diameters ranging between 75 nm and 300 nm and conducting polymer nanowires (polypyrrole and polyaniline) with diameters between 100 nm and 200 nm. Using these single nanowires, we have successfully demonstrated gas sensing with Pd nanowires and pH sensing with polypirrole nanowires.

Photoluminescence of etched SiC nanowires

NASA Astrophysics Data System (ADS)

Stewart, Polite D., Jr.; Rich, Ryan; Zerda, T. W.

2010-10-01

SiC nanowires were produced from carbon nanotubes and nanosize silicon powder in a tube furnace at temperatures between 1100^oC and 1350^oC. SiC nanowires had average diameter of 30 nm and very narrow size distribution. The compound possesses a high melting point, high thermal conductivity, and excellent wear resistance. The surface of the SiC nanowires after formation is covered by an amorphous layer. The composition of that layer is not fully understood, but it is believed that in addition to amorphous SiC it contains various carbon and silicon compounds, and SiO2. The objective of the research was to modify the surface structure of these SiC nanowires. Modification of the surface was done using the wet etching method. The etched nanowires were then analyzed using Fourier Transform Infrared spectroscopy (FTIR), transmission electron microscopy (TEM), and photoluminescence (PL). FTIR and TEM analysis provided valid proof that the SiC nanowires were successfully etched. Also, the PL results showed that the SiC nanowire core did possess a fluorescent signal.

Addressing uncertainty in atomistic machine learning.

PubMed

Peterson, Andrew A; Christensen, Rune; Khorshidi, Alireza

2017-05-10

Machine-learning regression has been demonstrated to precisely emulate the potential energy and forces that are output from more expensive electronic-structure calculations. However, to predict new regions of the potential energy surface, an assessment must be made of the credibility of the predictions. In this perspective, we address the types of errors that might arise in atomistic machine learning, the unique aspects of atomistic simulations that make machine-learning challenging, and highlight how uncertainty analysis can be used to assess the validity of machine-learning predictions. We suggest this will allow researchers to more fully use machine learning for the routine acceleration of large, high-accuracy, or extended-time simulations. In our demonstrations, we use a bootstrap ensemble of neural network-based calculators, and show that the width of the ensemble can provide an estimate of the uncertainty when the width is comparable to that in the training data. Intriguingly, we also show that the uncertainty can be localized to specific atoms in the simulation, which may offer hints for the generation of training data to strategically improve the machine-learned representation.

An atomistic fingerprint algorithm for learning ab initio molecular force fields

NASA Astrophysics Data System (ADS)

Tang, Yu-Hang; Zhang, Dongkun; Karniadakis, George Em

2018-01-01

Molecular fingerprints, i.e., feature vectors describing atomistic neighborhood configurations, is an important abstraction and a key ingredient for data-driven modeling of potential energy surface and interatomic force. In this paper, we present the density-encoded canonically aligned fingerprint algorithm, which is robust and efficient, for fitting per-atom scalar and vector quantities. The fingerprint is essentially a continuous density field formed through the superimposition of smoothing kernels centered on the atoms. Rotational invariance of the fingerprint is achieved by aligning, for each fingerprint instance, the neighboring atoms onto a local canonical coordinate frame computed from a kernel minisum optimization procedure. We show that this approach is superior over principal components analysis-based methods especially when the atomistic neighborhood is sparse and/or contains symmetry. We propose that the "distance" between the density fields be measured using a volume integral of their pointwise difference. This can be efficiently computed using optimal quadrature rules, which only require discrete sampling at a small number of grid points. We also experiment on the choice of weight functions for constructing the density fields and characterize their performance for fitting interatomic potentials. The applicability of the fingerprint is demonstrated through a set of benchmark problems.

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.

NANOWIRE CATHODE MATERIAL FOR LITHIUM-ION BATTERIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

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-ionmore » 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

Interactions between semiconductor nanowires and living cells.

PubMed

Prinz, Christelle N

2015-06-17

Semiconductor nanowires are increasingly used for biological applications and their small dimensions make them a promising tool for sensing and manipulating cells with minimal perturbation. In order to interface cells with nanowires in a controlled fashion, it is essential to understand the interactions between nanowires and living cells. The present paper reviews current progress in the understanding of these interactions, with knowledge gathered from studies where living cells were interfaced with vertical nanowire arrays. The effect of nanowires on cells is reported in terms of viability, cell-nanowire interface morphology, cell behavior, changes in gene expression as well as cellular stress markers. Unexplored issues and unanswered questions are discussed.

High Aspect Ratio Perforated Co₃O₄ Nanowires Derived from Cobalt-Carbonate-Hydroxide Nanowires with Enhanced Sensing Performance.

PubMed

Zhou, Tuantuan; Gao, Wanlin; Wang, Qiang; Umar, Ahmad

2018-05-01

Herein, we report the facile synthesis of high-aspect ratio perforated Co3O4 nanowires derived from cobalt-carbonate-hydroxide (Co(CO3)0.5(OH) 0.11H2O) nanowires. The Co(CO3)0.5(OH) 0.11H2O nanowires were synthesized by simple hydrothermal process at 120 °C while annealing of such nanowires at 400 °C leads the formation of perforated Co3O4 nanowires. The prepared nanowires were characterized by several techniques which confirmed the high aspect ratio and well-crystallinity for the synthesized nanowires. For application point of view, the prepared perforated Co3O4 nanowires were used as efficient electrode material to fabricate highly sensitive and selective hydrazine chemical sensor. The electrochemical impedance spectroscopy (EIS) technique was employed to confirm the successful modification of the electrode. The key parameters of chemical sensor, such as detection limit, sensitivity, and linear range, have been systematically explored. The fabricated hydrazine sensor displayed a rather low detection limit of 4.52 μM (S/N = 3), a good sensitivity of 25.70 μA · mM-1, and a wide linear range of 16.97-358.34 μM.

Improved efficiency of hybrid organic photovoltaics by pulsed laser sintering of silver nanowire network transparent electrode.

PubMed

Spechler, Joshua A; Nagamatsu, Ken A; Sturm, James C; Arnold, Craig B

2015-05-20

In this Research Article, we demonstrate pulsed laser processing of a silver nanowire network transparent conductor on top of an otherwise complete solar cell. The macroscopic pulsed laser irradiation serves to sinter nanowire-nanowire junctions on the nanoscale, leading to a much more conductive electrode. We fabricate hybrid silicon/organic heterojunction photovoltaic devices, which have ITO-free, solution processed, and laser processed transparent electrodes. Furthermore, devices which have high resistive losses show up to a 35% increase in power conversion efficiency after laser processing. We perform this study over a range of laser fluences, and a range of nanowire area coverage to investigate the sintering mechanism of nanowires inside of a device stack. The increase in device performance is modeled using a simple photovoltaic diode approach and compares favorably to the experimental data.

Nanowire array and nanowire solar cells and methods for forming the same

DOEpatents

Yang, Peidong [Berkeley, CA; Greene, Lori [Berkeley, CA; Law, Matthew [Berkeley, CA

2007-09-04

Homogeneous and dense arrays of nanowires are described. The nanowires can be formed in solution and can have average diameters of 40-300 nm and lengths of 1-3 .mu.m. They can be formed on any suitable substrate. Photovoltaic devices are also described.

Nanowire array and nanowire solar cells and methods for forming the same

DOEpatents

Yang, Peidong; Greene, Lori E.; Law, Matthew

2009-06-09

Homogeneous and dense arrays of nanowires are described. The nanowires can be formed in solution and can have average diameters of 40-300 nm and lengths of 1-3 .mu.m. They can be formed on any suitable substrate. Photovoltaic devices are also described.

A Semimetal Nanowire Rectifier: Balancing Quantum Confinement and Surface Electronegativity.

PubMed

Sanchez-Soares, Alfonso; Greer, James C

2016-12-14

For semimetal nanowires with diameters on the order of 10 nm, a semimetal-to-semiconductor transition is observed due to quantum confinement effects. Quantum confinement in a semimetal lifts the degeneracy of the conduction and valence bands in a "zero" gap semimetal or shifts energy levels with a "negative" overlap to form conduction and valence bands. For semimetal nanowires with diameters less than 10 nm, the band gap energy can be significantly larger than the thermal energy at room temperature resulting in a new class of semiconductors suitable for nanoelectronics. As a nanowire's diameter is reduced, its surface-to-volume ratio increases rapidly leading to an increased impact of surface chemistry on its electronic structure. Energy level shifts to states in the vicinity of the Fermi energy with varying surface electronegativity are shown to be comparable in magnitude to quantum confinement effects arising in nanowires with diameters of a few nanometer; these two effects can counteract one another leading to semimetallic behavior at nanowire cross sections at which confinement effects would otherwise dominate. Abruptly changing the surface terminating species along the length of a nanowire can lead to an abrupt change in the surface electronegativity. This can result in the formation of a semimetal-semiconductor junction within a monomaterial nanowire without impurity doping nor requiring the formation of a heterojunction. Using density functional theory in tandem with a Green's function approach to determine electronic structure and charge transport, respectively, current rectification is calculated for such a junction. Current rectification ratios of the order of 10 3 -10 5 are predicted at applied biases as low as 300 mV. It is concluded that rectification can be achieved at essentially molecular length scales with conventional biasing, while rivaling the performance of macroscopic semiconductor diodes.

Amber light-emitting diode comprising a group III-nitride nanowire active region

DOEpatents

Wang, George T.; Li, Qiming; Wierer, Jr., Jonathan J.; Koleske, Daniel

2014-07-22

A temperature stable (color and efficiency) III-nitride based amber (585 nm) light-emitting diode is based on a novel hybrid nanowire-planar structure. The arrays of GaN nanowires enable radial InGaN/GaN quantum well LED structures with high indium content and high material quality. The high efficiency and temperature stable direct yellow and red phosphor-free emitters enable high efficiency white LEDs based on the RGYB color-mixing approach.

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.

Nanowires, nanostructures and devices fabricated therefrom

DOEpatents

Majumdar, Arun; Shakouri, Ali; Sands, Timothy D.; Yang, Peidong; Mao, Samuel S.; Russo, Richard E.; Feick, Henning; Weber, Eicke R.; Kind, Hannes; Huang, Michael; Yan, Haoquan; Wu, Yiying; Fan, Rong

2005-04-19

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

Cellular manipulation and patterning using ferromagnetic nanowires

NASA Astrophysics Data System (ADS)

Hultgren, Anne

Ferromagnetic nanowires are demonstrated as an effective tool to apply forces to living cells. Both magnetic cell separations and the magnetic patterning of cells on a substrate will be accomplished through the use of cell-nanowire interactions as well as nanowire-magnetic field interactions. When introduced into cultures of NIH-3T3 cells, the nanowires are internalized by cells via the integrin-mediated adhesion pathway without inflicting any toxic effects on the cell cycle over the course of several days. In addition, the length of the nanowires was found to have an effect on the cell-nanowire interactions when the cells were dissociated from the tissue culture dish. To compare the effectiveness of the nanowires as a means of manipulating cells to the current technology which is based on superparamagnetic beads, magnetic cell separations were performed with electrodeposited Ni nanowires 350 nm in diameter and 5--35 mum long in field gradients of 80 T/m. Single-pass separations of NIH-3T3 cells bound to nanowires achieve up to 81% purity with 85% yield, a dramatic improvement over the 55% purity and 20% yield obtained with the beads. The yield for the separations were found to be dependent on the length of the nanowires, and was maximized when the length of the nanowires equaled the diameter of the cells. This dependence was exploited to perform a size-selective magnetic separation. Substrates containing arrays of micro-magnets, fabricated using photolithography, were placed in cell cultures. These micro-magnet arrays create regions of locally strong magnetic field gradients to trap nanowires in specific locations on the substrate. These substrates were used in conjunction with fluid flow and a weak, externally applied magnetic field to create and control patterns of cells bound to nanowires. Controlled isolation of heterogeneous pairs and groups of cells will enable the study of the biochemistry of cell-cell contacts.

Piezoelectric-nanowire-enabled power source for driving wireless microelectronics.

PubMed

Xu, Sheng; Hansen, Benjamin J; Wang, Zhong Lin

2010-10-19

Harvesting energy from irregular/random mechanical actions in variable and uncontrollable environments is an effective approach for powering wireless mobile electronics to meet a wide range of applications in our daily life. Piezoelectric nanowires are robust and can be stimulated by tiny physical motions/disturbances over a range of frequencies. Here, we demonstrate the first chemical epitaxial growth of PbZr(x)Ti(1-x)O(3) (PZT) nanowire arrays at 230 °C and their application as high-output energy converters. The nanogenerators fabricated using a single array of PZT nanowires produce a peak output voltage of ~0.7 V, current density of 4 μA cm(-2) and an average power density of 2.8 mW cm(-3). The alternating current output of the nanogenerator is rectified, and the harvested energy is stored and later used to light up a commercial laser diode. This work demonstrates the feasibility of using nanogenerators for powering mobile and even personal microelectronics.

Vertically aligned nanowires from boron-doped diamond.

PubMed

Yang, Nianjun; Uetsuka, Hiroshi; Osawa, Eiji; Nebel, Christoph E

2008-11-01

Vertically aligned diamond nanowires with controlled geometrical properties like length and distance between wires were fabricated by use of nanodiamond particles as a hard mask and by use of reactive ion etching. The surface structure, electronic properties, and electrochemical functionalization of diamond nanowires were characterized by atomic force microscopy (AFM) and scanning tunneling microscopy (STM) as well as electrochemical techniques. AFM and STM experiments show that diamond nanowire etched for 10 s have wire-typed structures with 3-10 nm in length and with typically 11 nm spacing in between. The electrode active area of diamond nanowires is enhanced by a factor of 2. The functionalization of nanowire tips with nitrophenyl molecules is characterized by STM on clean and on nitrophenyl molecule-modified diamond nanowires. Tip-modified diamond nanowires are promising with respect to biosensor applications where controlled biomolecule bonding is required to improve chemical stability and sensing significantly.

Nanowire failure: long = brittle and short = ductile.

PubMed

Wu, Zhaoxuan; Zhang, Yong-Wei; Jhon, Mark H; Gao, Huajian; Srolovitz, David J

2012-02-08

Experimental studies of the tensile behavior of metallic nanowires show a wide range of failure modes, ranging from ductile necking to brittle/localized shear failure-often in the same diameter wires. We performed large-scale molecular dynamics simulations of copper nanowires with a range of nanowire lengths and provide unequivocal evidence for a transition in nanowire failure mode with change in nanowire length. Short nanowires fail via a ductile mode with serrated stress-strain curves, while long wires exhibit extreme shear localization and abrupt failure. We developed a simple model for predicting the critical nanowire length for this failure mode transition and showed that it is in excellent agreement with both the simulation results and the extant experimental data. The present results provide a new paradigm for the design of nanoscale mechanical systems that demarcates graceful and catastrophic failure. © 2012 American Chemical Society

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

Ballistic superconductivity in semiconductor nanowires.

PubMed

Zhang, Hao; Gül, Önder; Conesa-Boj, Sonia; Nowak, Michał P; Wimmer, Michael; Zuo, Kun; Mourik, Vincent; de Vries, Folkert K; van Veen, Jasper; de Moor, Michiel W A; Bommer, Jouri D S; van Woerkom, David J; Car, Diana; Plissard, Sébastien R; Bakkers, Erik P A M; Quintero-Pérez, Marina; Cassidy, Maja C; Koelling, Sebastian; Goswami, Srijit; Watanabe, Kenji; Taniguchi, Takashi; Kouwenhoven, Leo P

2017-07-06

Semiconductor nanowires have opened new research avenues in quantum transport owing to their confined geometry and electrostatic tunability. They have offered an exceptional testbed for superconductivity, leading to the realization of hybrid systems combining the macroscopic quantum properties of superconductors with the possibility to control charges down to a single electron. These advances brought semiconductor nanowires to the forefront of efforts to realize topological superconductivity and Majorana modes. A prime challenge to benefit from the topological properties of Majoranas is to reduce the disorder in hybrid nanowire devices. Here we show ballistic superconductivity in InSb semiconductor nanowires. Our structural and chemical analyses demonstrate a high-quality interface between the nanowire and a NbTiN superconductor that enables ballistic transport. This is manifested by a quantized conductance for normal carriers, a strongly enhanced conductance for Andreev-reflecting carriers, and an induced hard gap with a significantly reduced density of states. These results pave the way for disorder-free Majorana devices.

Ballistic superconductivity in semiconductor nanowires

PubMed Central

Zhang, Hao; Gül, Önder; Conesa-Boj, Sonia; Nowak, Michał P.; Wimmer, Michael; Zuo, Kun; Mourik, Vincent; de Vries, Folkert K.; van Veen, Jasper; de Moor, Michiel W. A.; Bommer, Jouri D. S.; van Woerkom, David J.; Car, Diana; Plissard, Sébastien R; Bakkers, Erik P.A.M.; Quintero-Pérez, Marina; Cassidy, Maja C.; Koelling, Sebastian; Goswami, Srijit; Watanabe, Kenji; Taniguchi, Takashi; Kouwenhoven, Leo P.

2017-01-01

Semiconductor nanowires have opened new research avenues in quantum transport owing to their confined geometry and electrostatic tunability. They have offered an exceptional testbed for superconductivity, leading to the realization of hybrid systems combining the macroscopic quantum properties of superconductors with the possibility to control charges down to a single electron. These advances brought semiconductor nanowires to the forefront of efforts to realize topological superconductivity and Majorana modes. A prime challenge to benefit from the topological properties of Majoranas is to reduce the disorder in hybrid nanowire devices. Here we show ballistic superconductivity in InSb semiconductor nanowires. Our structural and chemical analyses demonstrate a high-quality interface between the nanowire and a NbTiN superconductor that enables ballistic transport. This is manifested by a quantized conductance for normal carriers, a strongly enhanced conductance for Andreev-reflecting carriers, and an induced hard gap with a significantly reduced density of states. These results pave the way for disorder-free Majorana devices. PMID:28681843

The Laser-Assisted Field Effect Transistor Gas Sensor Based on Morphological Zinc-Excited Tin-Doped In2O3 Nanowires

NASA Astrophysics Data System (ADS)

Shariati, Mohsen; Khosravinejad, Fariba

The gas nanosensor of indium oxide nanowires in laser assisted approach, doped with tin and zinc for gas sensing and 1D growth purposes respectively, was reported. The nanowires were very sensitive to H2S gas in low concentration of 20ppb gas at room temperature. The fast dynamic intensive and sensitive response to gas was in a few seconds with an on/off sensitivity ratio of around 10. The square cross-section indium oxide nanowires were fabricated through physical vapor deposition (PVD) mechanism and annealing approach. The field emission scanning electron microscopy (FESEM) observations indicated that the annealing temperature was vital in nanostructures’ morphology. The fabricated nanowires for the optimized annealing temperature in applied growth technique were around 60nm in diameter.

Facile approach to prepare nickel cobaltite nanowire materials for supercapacitors.

PubMed

Wang, Huanlei; Gao, Qiuming; Jiang, Lei

2011-09-05

Excellent electrochemical performance results from the coexistence of nickel and cobalt ions, with mesoporous characteristics and nanocrystal structure. Nickel cobalt nanowire is prepared by hydrothermal and thermal decomposition processes. High capacitance of 722 F g(-1) can be obtained at 1 A g(-1) in 6 M KOH, with a capacitance retention ratio of ca. 79% at 20 A g(-1) . Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structured and Unstructured Binding of an Intrinsically Disordered Protein as Revealed by Atomistic Simulations.

PubMed

Ithuralde, Raúl Esteban; Roitberg, Adrián Enrique; Turjanski, Adrián Gustavo

2016-07-20

Intrinsically disordered proteins (IDPs) are a set of proteins that lack a definite secondary structure in solution. IDPs can acquire tertiary structure when bound to their partners; therefore, the recognition process must also involve protein folding. The nature of the transition state (TS), structured or unstructured, determines the binding mechanism. The characterization of the TS has become a major challenge for experimental techniques and molecular simulations approaches since diffusion, recognition, and binding is coupled to folding. In this work we present atomistic molecular dynamics (MD) simulations that sample the free energy surface of the coupled folding and binding of the transcription factor c-myb to the cotranscription factor CREB binding protein (CBP). This process has been recently studied and became a model to study IDPs. Despite the plethora of available information, we still do not know how c-myb binds to CBP. We performed a set of atomistic biased MD simulations running a total of 15.6 μs. Our results show that c-myb folds very fast upon binding to CBP with no unique pathway for binding. The process can proceed through both structured or unstructured TS's with similar probabilities. This finding reconciles previous seemingly different experimental results. We also performed Go-type coarse-grained MD of several structured and unstructured models that indicate that coupled folding and binding follows a native contact mechanism. To the best of our knowledge, this is the first atomistic MD simulation that samples the free energy surface of the coupled folding and binding processes of IDPs.

A compact superconducting nanowire memory element operated by nanowire cryotrons

NASA Astrophysics Data System (ADS)

Zhao, Qing-Yuan; Toomey, Emily A.; Butters, Brenden A.; McCaughan, Adam N.; Dane, Andrew E.; Nam, Sae-Woo; Berggren, Karl K.

2018-07-01

A superconducting loop stores persistent current without any ohmic loss, making it an ideal platform for energy efficient memories. Conventional superconducting memories use an architecture based on Josephson junctions (JJs) and have demonstrated access times less than 10 ps and power dissipation as low as 10-19 J. However, their scalability has been slow to develop due to the challenges in reducing the dimensions of JJs and minimizing the area of the superconducting loops. In addition to the memory itself, complex readout circuits require additional JJs and inductors for coupling signals, increasing the overall area. Here, we have demonstrated a superconducting memory based solely on lithographic nanowires. The small dimensions of the nanowire ensure that the device can be fabricated in a dense area in multiple layers, while the high kinetic inductance makes the loop essentially independent of geometric inductance, allowing it to be scaled down without sacrificing performance. The memory is operated by a group of nanowire cryotrons patterned alongside the storage loop, enabling us to reduce the entire memory cell to 3 μm × 7 μm in our proof-of-concept device. In this work we present the operation principles of a superconducting nanowire memory (nMem) and characterize its bit error rate, speed, and power dissipation.

Transport properties of Sb doped Si nanowires

NASA Astrophysics Data System (ADS)

Nukala, Prathyusha; Sapkota, Gopal; Gali, Pradeep; Usha, Philipose

2011-10-01

n-type Si nanowires were synthesized at ambient pressure using SiCl4 as Si source and Sb source as the dopant. Sb doping of 3-4 wt % was achieved through a post growth diffusion technique. The nanowires were found to have an amorphous oxide shell that developed post-growth; the thickness of the shell is estimated to be about 3-4 nm. The composition of the amorphous shell covering the crystalline Si core was determined by Raman spectroscopy, with evidence that the shell was an amorphous oxide layer. Optical characterization of the as-grown nanowires showed green emission, attributed to the presence of the oxide shell covering the Si nanowire core. Etching of the oxide shell was found to decrease the intensity of this green emission. A single undoped Si nanowire contacted in an FET type configuration was found to be p-type with channel mobility of 20 cm^2V-1S-1. Sb doped Si nanowires exhibited n-type behavior, compensating for the holes in the undoped nanowire. The doped nanowires had carrier mobility and concentration of 160 cm^2V-1S-1 and 9.6 x 10^18cm-3 respectively.

Growth of Gallium Nitride Nanowires: A Study Using In Situ Transmission Electron Microscopy

NASA Astrophysics Data System (ADS)

Diaz Rivas, Rosa Estela

N nanowires. These findings suggest in situ electron microscopy is a powerful tool to understand the growth of GaN nanowires and also that these experimental approach can be extended to study other binary semiconductor compound such as GaP, GaAs, and InP, or even ternary compounds such as InGaN. However, further experimental work is required to fully elucidate the kinetic effects on the growth process. A better control of the growth parameters is also recommended.

Size-dependent chemical transformation, structural phase-change, and optical properties of nanowires

PubMed Central

Piccione, Brian; Agarwal, Rahul; Jung, Yeonwoong; Agarwal, Ritesh

2013-01-01

Nanowires offer a unique approach for the bottom up assembly of electronic and photonic devices with the potential of integrating photonics with existing technologies. The anisotropic geometry and mesoscopic length scales of nanowires also make them very interesting systems to study a variety of size-dependent phenomenon where finite size effects become important. We will discuss the intriguing size-dependent properties of nanowire systems with diameters in the 5 – 300 nm range, where finite size and interfacial phenomena become more important than quantum mechanical effects. The ability to synthesize and manipulate nanostructures by chemical methods allows tremendous versatility in creating new systems with well controlled geometries, dimensions and functionality, which can then be used for understanding novel processes in finite-sized systems and devices. PMID:23997656

Template-grown NiFe/Cu/NiFe nanowires for spin transfer devices.

PubMed

Piraux, Luc; Renard, Krystel; Guillemet, Raphael; Matéfi-Tempfli, Stefan; Matéfi-Tempfli, Maria; Antohe, Vlad Andrei; Fusil, Stéphane; Bouzehouane, Karim; Cros, Vincent

2007-09-01

We have developed a new reliable method combining template synthesis and nanolithography-based contacting technique to elaborate current perpendicular-to-plane giant magnetoresistance spin valve nanowires, which are very promising for the exploration of electrical spin transfer phenomena. The method allows the electrical connection of one single nanowire in a large assembly of wires embedded in anodic porous alumina supported on Si substrate with diameters and periodicities to be controllable to a large extent. Both magnetic excitations and switching phenomena driven by a spin-polarized current were clearly demonstrated in our electrodeposited NiFe/Cu/ NiFe trilayer nanowires. This novel approach promises to be of strong interest for subsequent fabrication of phase-locked arrays of spin transfer nano-oscillators with increased output power for microwave applications.

Electrical Conductivity in Transparent Silver Nanowire Networks: Simulations and Experiments

NASA Astrophysics Data System (ADS)

Sherrott, Michelle; Mutiso, Rose; Rathmell, Aaron; Wiley, Benjamin; Winey, Karen

2012-02-01

We model and experimentally measure the electrical conductivity of two-dimensional networks containing finite, conductive cylinders with aspect ratio ranging from 33 to 333. We have previously used our simulations to explore the effects of cylinder orientation and aspect ratio in three-dimensional composites, and now extend the simulation to consider two-dimensional silver nanowire networks. Preliminary results suggest that increasing the aspect ratio and area fraction of these rods significantly decreases the sheet resistance of the film. For all simulated aspect ratios, this sheet resistance approaches a constant value for high area fractions of rods. This implies that regardless of aspect ratio, there is a limiting minimum sheet resistance that is characteristic of the properties of the nanowires. Experimental data from silver nanowire networks will be incorporated into the simulations to define the contact resistance and corroborate experimentally measured sheet resistances of transparent thin films.

Predicting growth of graphene nanostructures using high-fidelity atomistic simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCarty, Keven F.; Zhou, Xiaowang; Ward, Donald K.

2015-09-01

In this project we developed t he atomistic models needed to predict how graphene grows when carbon is deposited on metal and semiconductor surfaces. We first calculated energies of many carbon configurations using first principles electronic structure calculations and then used these energies to construct an empirical bond order potentials that enable s comprehensive molecular dynamics simulation of growth. We validated our approach by comparing our predictions to experiments of graphene growth on Ir, Cu and Ge. The robustness of ou r understanding of graphene growth will enable high quality graphene to be grown on novel substrates which will expandmore » the number of potential types of graphene electronic devices.« less

Electrically Conductive and Optically Active Porous Silicon Nanowires

PubMed Central

Qu, Yongquan; Liao, Lei; Li, Yujing; Zhang, Hua; Huang, Yu; Duan, Xiangfeng

2009-01-01

We report the synthesis of vertical silicon nanowire array through a two-step metal-assisted chemical etching of highly doped n-type silicon (100) wafers in a solution of hydrofluoric acid and hydrogen peroxide. The morphology of the as-grown silicon nanowires is tunable from solid nonporous nanowires, nonporous/nanoporous core/shell nanowires, and entirely nanoporous nanowires by controlling the hydrogen peroxide concentration in the etching solution. The porous silicon nanowires retain the single crystalline structure and crystallographic orientation of the starting silicon wafer, and are electrically conductive and optically active with visible photoluminescence. The combination of electronic and optical properties in the porous silicon nanowires may provide a platform for the novel optoelectronic devices for energy harvesting, conversion and biosensing. PMID:19807130

Thermoporometry characterization of silica microparticles and nanowires.

PubMed

Wu, Jiaxin; Zheng, Han; Cheng, He; Zhou, L; Leong, K C; Rajagopalan, R; Too, H P; Choi, W K

2014-03-04

We present the results of a systematic study on the porosity of silica microparticles and nanowires prepared by glancing angle deposition-metal-assisted chemical etching (GLAD-MACE) and interference lithography-metal-assisted chemical etching (IL-MACE) techniques using the thermoporometry (TPM) method. Good agreement was obtained between our TPM results and published data provided by the suppliers of silica microparticles. TPM characterization of the GLAD-MACE and IL-MACE nanowires was carried out on the basis of parameters obtained from TPM experiments on microparticles. Our nanowires showed a similar trend but lower values of the pore volume and surface area than nanowires prepared by MACE with AgNO3 solution. We attribute the enhanced bioanalysis performance of the GLAD-MACE nanowires based devices to the increased pore volume and total surface area of the nanowires.

Metal-dielectric-CNT nanowires for surface-enhanced Raman spectroscopy

DOEpatents

Bond, Tiziana C.; Altun, Ali; Park, Hyung Gyu

2017-10-03

A sensor with a substrate includes nanowires extending vertically from the substrate, a hafnia coating on the nanowires that provides hafnia coated nanowires, and a noble metal coating on the hafnia coated nanowires. The top of the hafnia and noble metal coated nanowires bent onto one another to create a canopy forest structure. There are numerous randomly arranged holes that let through scattered light. The many points of contact, hot spots, amplify signals. The methods include the steps of providing a Raman spectroscopy substrate, introducing nano crystals to the Raman spectroscopy substrate, growing a forest of nanowires from the nano crystals on the Raman spectroscopy substrate, coating the nanowires with hafnia providing hafnia coated nanowires, and coating the hafnia coated nanowires with a noble metal or other metal.

Nanowire nanocomputer as a finite-state machine.

PubMed

Yao, Jun; Yan, Hao; Das, Shamik; Klemic, James F; Ellenbogen, James C; Lieber, Charles M

2014-02-18

Implementation of complex computer circuits assembled from the bottom up and integrated on the nanometer scale has long been a goal of electronics research. It requires a design and fabrication strategy that can address individual nanometer-scale electronic devices, while enabling large-scale assembly of those devices into highly organized, integrated computational circuits. We describe how such a strategy has led to the design, construction, and demonstration of a nanoelectronic finite-state machine. The system was fabricated using a design-oriented approach enabled by a deterministic, bottom-up assembly process that does not require individual nanowire registration. This methodology allowed construction of the nanoelectronic finite-state machine through modular design using a multitile architecture. Each tile/module consists of two interconnected crossbar nanowire arrays, with each cross-point consisting of a programmable nanowire transistor node. The nanoelectronic finite-state machine integrates 180 programmable nanowire transistor nodes in three tiles or six total crossbar arrays, and incorporates both sequential and arithmetic logic, with extensive intertile and intratile communication that exhibits rigorous input/output matching. Our system realizes the complete 2-bit logic flow and clocked control over state registration that are required for a finite-state machine or computer. The programmable multitile circuit was also reprogrammed to a functionally distinct 2-bit full adder with 32-set matched and complete logic output. These steps forward and the ability of our unique design-oriented deterministic methodology to yield more extensive multitile systems suggest that proposed general-purpose nanocomputers can be realized in the near future.

Nanowire nanocomputer as a finite-state machine

PubMed Central

Yao, Jun; Yan, Hao; Das, Shamik; Klemic, James F.; Ellenbogen, James C.; Lieber, Charles M.

2014-01-01

Implementation of complex computer circuits assembled from the bottom up and integrated on the nanometer scale has long been a goal of electronics research. It requires a design and fabrication strategy that can address individual nanometer-scale electronic devices, while enabling large-scale assembly of those devices into highly organized, integrated computational circuits. We describe how such a strategy has led to the design, construction, and demonstration of a nanoelectronic finite-state machine. The system was fabricated using a design-oriented approach enabled by a deterministic, bottom–up assembly process that does not require individual nanowire registration. This methodology allowed construction of the nanoelectronic finite-state machine through modular design using a multitile architecture. Each tile/module consists of two interconnected crossbar nanowire arrays, with each cross-point consisting of a programmable nanowire transistor node. The nanoelectronic finite-state machine integrates 180 programmable nanowire transistor nodes in three tiles or six total crossbar arrays, and incorporates both sequential and arithmetic logic, with extensive intertile and intratile communication that exhibits rigorous input/output matching. Our system realizes the complete 2-bit logic flow and clocked control over state registration that are required for a finite-state machine or computer. The programmable multitile circuit was also reprogrammed to a functionally distinct 2-bit full adder with 32-set matched and complete logic output. These steps forward and the ability of our unique design-oriented deterministic methodology to yield more extensive multitile systems suggest that proposed general-purpose nanocomputers can be realized in the near future. PMID:24469812

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

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

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

PubMed

Starko-Bowes, Ryan; Pramanik, Sandipan

2013-06-18

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

Raman Antenna Effect in Semiconducting Nanowires.

NASA Astrophysics Data System (ADS)

Chen, Gugang; Xiong, Qihua; Eklund, Peter

2007-03-01

A novel Raman antenna effect has been observed in Raman scattering experiments recently carried out on individual GaP nanowires [1]. The Raman antenna effect is perfectly general and should appear in all semiconducting nanowires. It is characterized by an anomalous increase in the Raman cross section for scattering from LO or TO phonons when the electric field of the incident laser beam is parallel to the nanowire axis. We demonstrate that the explanation for the effect lies in the polarization dependence of the Mie scattering from the nanowire and the concomitant polarization-dependent electric field set up inside the wire. Our analysis involves calculations of the internal electric field using the discrete dipole approximation (DDA). We find that the Raman antenna effect happens only for nanowire diameters d<λ/4, where λ is the excitation laser wavelength. Our calculations are found in good agreement with recent experimental results for scattering from individual GaP nanowires. [1] Q. Xiong, G. Chen, G. D. Mahan, P. C. Eklund, in preparation, 2006.

Electrical conductivity measurements of bacterial nanowires from Pseudomonas aeruginosa

NASA Astrophysics Data System (ADS)

Maruthupandy, Muthusamy; Anand, Muthusamy; Maduraiveeran, Govindhan; Sait Hameedha Beevi, Akbar; Jeeva Priya, Radhakrishnan

2015-12-01

The extracellular appendages of bacteria (flagella) that transfer electrons to electrodes are called bacterial nanowires. This study focuses on the isolation and separation of nanowires that are attached via Pseudomonas aeruginosa bacterial culture. The size and roughness of separated nanowires were measured using transmission electron microscopy (TEM) and atomic force microscopy (AFM), respectively. The obtained bacterial nanowires indicated a clear image of bacterial nanowires measuring 16 nm in diameter. The formation of bacterial nanowires was confirmed by microscopic studies (AFM and TEM) and the conductivity nature of bacterial nanowire was investigated by electrochemical techniques. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), which are nondestructive voltammetry techniques, suggest that bacterial nanowires could be the source of electrons—which may be used in various applications, for example, microbial fuel cells, biosensors, organic solar cells, and bioelectronic devices. Routine analysis of electron transfer between bacterial nanowires and the electrode was performed, providing insight into the extracellular electron transfer (EET) to the electrode. CV revealed the catalytic electron transferability of bacterial nanowires and electrodes and showed excellent redox activities. CV and EIS studies showed that bacterial nanowires can charge the surface by producing and storing sufficient electrons, behave as a capacitor, and have features consistent with EET. Finally, electrochemical studies confirmed the development of bacterial nanowires with EET. This study suggests that bacterial nanowires can be used to fabricate biomolecular sensors and nanoelectronic devices.

Smart integration of silicon nanowire arrays in all-silicon thermoelectric micro-nanogenerators

NASA Astrophysics Data System (ADS)

Fonseca, Luis; Santos, Jose-Domingo; Roncaglia, Alberto; Narducci, Dario; Calaza, Carlos; Salleras, Marc; Donmez, Inci; Tarancon, Albert; Morata, Alex; Gadea, Gerard; Belsito, Luca; Zulian, Laura

2016-08-01

Micro and nanotechnologies are called to play a key role in the fabrication of small and low cost sensors with excellent performance enabling new continuous monitoring scenarios and distributed intelligence paradigms (Internet of Things, Trillion Sensors). Harvesting devices providing energy autonomy to those large numbers of microsensors will be essential. In those scenarios where waste heat sources are present, thermoelectricity will be the obvious choice. However, miniaturization of state of the art thermoelectric modules is not easy with the current technologies used for their fabrication. Micro and nanotechnologies offer an interesting alternative considering that silicon in nanowire form is a material with a promising thermoelectric figure of merit. This paper presents two approaches for the integration of large numbers of silicon nanowires in a cost-effective and practical way using only micromachining and thin-film processes compatible with silicon technologies. Both approaches lead to automated physical and electrical integration of medium-high density stacked arrays of crystalline or polycrystalline silicon nanowires with arbitrary length (tens to hundreds microns) and diameters below 100 nm.

Fabrication and Gas-Sensing Properties of Ni-Silicide/Si Nanowires.

PubMed

Hsu, Hsun-Feng; Chen, Chun-An; Liu, Shang-Wu; Tang, Chun-Kai

2017-12-01

Ni-silicide/Si nanowires were fabricated by atomic force microscope nano-oxidation on silicon-on-insulator substrates, selective wet etching, and reactive deposition epitaxy. Ni-silicide nanocrystal-modified Si nanowire and Ni-silicide/Si heterostructure multi-stacked nanowire were formed by low- and high-coverage depositions of Ni, respectively. The Ni-silicide/Si Schottky junction and Ni-silicide region were attributed high- and low-resistance parts of nanowire, respectively, causing the resistance of the Ni-silicide nanocrystal-modified Si nanowire and the Ni-silicide/Si heterostructure multi-stacked nanowire to be a little higher and much lower than that of Si nanowire. An O 2 sensing device was formed from a nanowire that was mounted on Pt electrodes. When the nanowires exposed to O 2 , the increase in current in the Ni-silicide/Si heterostructure multi-stacked nanowire was much larger than that in the other nanowires. The Ni-silicide nanocrystal-modified Si nanowire device had the highest sensitivity. The phenomenon can be explained by the formation of a Schottky junction at the Ni-silicide/Si interface in these two types of Ni-Silicide/Si nanowire and the formation of a hole channel at the silicon nanowire/native oxide interface after exposing the nanowires to O 2 .

Tandem Solar Cells Using GaAs Nanowires on Si: Design, Fabrication, and Observation of Voltage Addition.

PubMed

Yao, Maoqing; Cong, Sen; Arab, Shermin; Huang, Ningfeng; Povinelli, Michelle L; Cronin, Stephen B; Dapkus, P Daniel; Zhou, Chongwu

2015-11-11

Multijunction solar cells provide us a viable approach to achieve efficiencies higher than the Shockley-Queisser limit. Due to their unique optical, electrical, and crystallographic features, semiconductor nanowires are good candidates to achieve monolithic integration of solar cell materials that are not lattice-matched. Here, we report the first realization of nanowire-on-Si tandem cells with the observation of voltage addition of the GaAs nanowire top cell and the Si bottom cell with an open circuit voltage of 0.956 V and an efficiency of 11.4%. Our simulation showed that the current-matching condition plays an important role in the overall efficiency. Furthermore, we characterized GaAs nanowire arrays grown on lattice-mismatched Si substrates and estimated the carrier density using photoluminescence. A low-resistance connecting junction was obtained using n(+)-GaAs/p(+)-Si heterojunction. Finally, we demonstrated tandem solar cells based on top GaAs nanowire array solar cells grown on bottom planar Si solar cells. The reported nanowire-on-Si tandem cell opens up great opportunities for high-efficiency, low-cost multijunction solar cells.

Diluted magnetic semiconductor nanowires exhibiting magnetoresistance

DOEpatents

Yang, Peidong [El Cerrito, CA; Choi, Heonjin [Seoul, KR; Lee, Sangkwon [Daejeon, KR; He, Rongrui [Albany, CA; Zhang, Yanfeng [El Cerrito, CA; Kuykendal, Tevye [Berkeley, CA; Pauzauskie, Peter [Berkeley, CA

2011-08-23

A method for is disclosed for fabricating diluted magnetic semiconductor (DMS) nanowires by providing a catalyst-coated substrate and subjecting at least a portion of the substrate to a semiconductor, and dopant via chloride-based vapor transport to synthesize the nanowires. Using this novel chloride-based chemical vapor transport process, single crystalline diluted magnetic semiconductor nanowires Ga.sub.1-xMn.sub.xN (x=0.07) were synthesized. The nanowires, which have diameters of .about.10 nm to 100 nm and lengths of up to tens of micrometers, show ferromagnetism with Curie temperature above room temperature, and magnetoresistance up to 250 Kelvin.

PF2fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps.

PubMed

Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

2015-10-01

There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF(2) fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF(2) fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF(2) fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF(2) fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF(2) fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF(2) fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search.

PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps

PubMed Central

Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

2015-01-01

There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF2 fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF2 fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF2 fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF2 fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF2 fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF2 fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search. PMID:26469938

Bandgap engineering of GaN nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ming, Bang-Ming; Yan, Hui; Wang, Ru-Zhi, E-mail: wrz@bjut.edu.cn, E-mail: yamcy@csrc.ac.cn

2016-05-15

Bandgap engineering has been a powerful technique for manipulating the electronic and optical properties of semiconductors. In this work, a systematic investigation of the electronic properties of [0001] GaN nanowires was carried out using the density functional based tight-binding method (DFTB). We studied the effects of geometric structure and uniaxial strain on the electronic properties of GaN nanowires with diameters ranging from 0.8 to 10 nm. Our results show that the band gap of GaN nanowires depends linearly on both the surface to volume ratio (S/V) and tensile strain. The band gap of GaN nanowires increases linearly with S/V, whilemore » it decreases linearly with increasing tensile strain. These linear relationships provide an effect way in designing GaN nanowires for their applications in novel nano-devices.« less

Segmented nanowires displaying locally controllable properties

DOEpatents

Sutter, Eli Anguelova; Sutter, Peter Werner

2013-03-05

Vapor-liquid-solid growth of nanowires is tailored to achieve complex one-dimensional material geometries using phase diagrams determined for nanoscale materials. Segmented one-dimensional nanowires having constant composition display locally variable electronic band structures that are determined by the diameter of the nanowires. The unique electrical and optical properties of the segmented nanowires are exploited to form electronic and optoelectronic devices. Using gold-germanium as a model system, in situ transmission electron microscopy establishes, for nanometer-sized Au--Ge alloy drops at the tips of Ge nanowires (NWs), the parts of the phase diagram that determine their temperature-dependent equilibrium composition. The nanoscale phase diagram is then used to determine the exchange of material between the NW and the drop. The phase diagram for the nanoscale drop deviates significantly from that of the bulk alloy.

Multifunctional Magnetic Nanowires for Biomagnetic Interfacing Concepts

DTIC Science & Technology

2006-07-14

demonstration of both in vitro and in vivo gene delivery with nanowire carriers, magnetic detection of nanowires for biosensing applications, and extensions of...nanowire concentration. The end-to-end self-assembly of nanowires reported here is similar to the problem of step polymerization . The polymerization of...end-segment (A) with a biotin- terminated end-segment (B), L0 is the initial chain length, and p is the extent of reaction (or polymerization

Biased Target Ion Beam Deposition and Nanoskiving for Fabricating NiTi Alloy Nanowires

NASA Astrophysics Data System (ADS)

Hou, Huilong; Horn, Mark W.; Hamilton, Reginald F.

2016-12-01

Nanoskiving is a novel nanofabrication technique to produce shape memory alloy nanowires. Our previous work was the first to successfully fabricate NiTi alloy nanowires using the top-down approach, which leverages thin film technology and ultramicrotomy for ultra-thin sectioning. For this work, we utilized biased target ion beam deposition technology to fabricate nanoscale (i.e., sub-micrometer) NiTi alloy thin films. In contrast to our previous work, rapid thermal annealing was employed for heat treatment, and the B2 austenite to R-phase martensitic transformation was confirmed using stress-temperature and diffraction measurements. The ultramicrotome was programmable and facilitated sectioning the films to produce nanowires with thickness-to-width ratios ranging from 4:1 to 16:1. Energy dispersive X-ray spectroscopy analysis confirmed the elemental Ni and Ti make-up of the wires. The findings exposed the nanowires exhibited a natural ribbon-like curvature, which depended on the thickness-to-width ratio. The results demonstrate nanoskiving is a potential nanofabrication technique for producing NiTi alloy nanowires that are continuous with an unprecedented length on the order of hundreds of micrometers.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carretero-Genevrier, Adrian; Oro-Sole, Judith; Gazquez, Jaume

2013-12-13

We developed an original strategy to produce vertical epitaxial single crystalline manganese oxide octahedral molecular sieve (OMS) nanowires with tunable pore sizes and compositions on silicon substrates by using a chemical solution deposition approach. The nanowire growth mechanism involves the use of track-etched nanoporous polymer templates combined with the controlled growth of quartz thin films at the silicon surface, which allowed OMS nanowires to stabilize and crystallize. α-quartz thin films were obtained after thermal activated crystallization of the native amorphous silica surface layer assisted by Sr 2+- or Ba 2+-mediated heterogeneous catalysis in the air at 800 °C. These α-quartzmore » thin films work as a selective template for the epitaxial growth of randomly oriented vertical OMS nanowires. Furthermore, the combination of soft chemistry and epitaxial growth opens new opportunities for the effective integration of novel technological functional tunneled complex oxides nanomaterials on Si substrates.« less

Single nanowire extinction spectroscopy.

PubMed

Giblin, Jay; Vietmeyer, Felix; McDonald, Matthew P; Kuno, Masaru

2011-08-10

Here we show the first direct extinction spectra of single one-dimensional (1D) semiconductor nanostructures obtained at room temperature utilizing a spatial modulation approach. (1) For these materials, ensemble averaging in conventional extinction spectroscopy has limited our understanding of the interplay between carrier confinement and their electrostatic interactions. (2-4) By probing individual CdSe nanowires (NWs), we have identified and assigned size-dependent exciton transitions occurring across the visible. In turn, we have revealed the existence of room temperature 1D excitons in the narrowest NWs.

Protein Folding and Structure Prediction from the Ground Up: The Atomistic Associative Memory, Water Mediated, Structure and Energy Model.

PubMed

Chen, Mingchen; Lin, Xingcheng; Zheng, Weihua; Onuchic, José N; Wolynes, Peter G

2016-08-25

The associative memory, water mediated, structure and energy model (AWSEM) is a coarse-grained force field with transferable tertiary interactions that incorporates local in sequence energetic biases using bioinformatically derived structural information about peptide fragments with locally similar sequences that we call memories. The memory information from the protein data bank (PDB) database guides proper protein folding. The structural information about available sequences in the database varies in quality and can sometimes lead to frustrated free energy landscapes locally. One way out of this difficulty is to construct the input fragment memory information from all-atom simulations of portions of the complete polypeptide chain. In this paper, we investigate this approach first put forward by Kwac and Wolynes in a more complete way by studying the structure prediction capabilities of this approach for six α-helical proteins. This scheme which we call the atomistic associative memory, water mediated, structure and energy model (AAWSEM) amounts to an ab initio protein structure prediction method that starts from the ground up without using bioinformatic input. The free energy profiles from AAWSEM show that atomistic fragment memories are sufficient to guide the correct folding when tertiary forces are included. AAWSEM combines the efficiency of coarse-grained simulations on the full protein level with the local structural accuracy achievable from all-atom simulations of only parts of a large protein. The results suggest that a hybrid use of atomistic fragment memory and database memory in structural predictions may well be optimal for many practical applications.

Morphology dependent near-field response in atomistic plasmonic nanocavities.

PubMed

Chen, Xing; Jensen, Lasse

2018-06-21

In this work we examine how the atomistic morphologies of plasmonic dimers control the near-field response by using an atomistic electrodynamics model. At large separations, the field enhancement in the junction follows a simple inverse power law as a function of the gap separation, which agrees with classical antenna theory. However, when the separations are smaller than 0.8 nm, the so-called quantum size regime, the field enhancement is screened and thus deviates from the simple power law. Our results show that the threshold distance for the deviation depends on the specific morphology of the junction. The near field in the junction can be localized to an area of less than 1 nm2 in the presence of an atomically sharp tip, but the separation distances leading to a large confinement of near field depend strongly on the specific atomistic configuration. More importantly, the highly confined fields lead to large field gradients particularly in a tip-to-surface junction, which indicates that such a plasmonic structure favors observing strong field gradient effects in near-field spectroscopy. We find that for atomically sharp tips the field gradient becomes significant and depends strongly on the local morphology of a tip. We expect our findings to be crucial for understanding the origin of high-resolution near-field spectroscopy and for manipulating optical cavities through atomic structures in the strongly coupled plasmonic systems.

Misfit-guided self-organization of anticorrelated Ge quantum dot arrays on Si nanowires.

PubMed

Kwon, Soonshin; Chen, Zack C Y; Kim, Ji-Hun; Xiang, Jie

2012-09-12

Misfit-strain guided growth of periodic quantum dot (QD) arrays in planar thin film epitaxy has been a popular nanostructure fabrication method. Engineering misfit-guided QD growth on a nanoscale substrate such as the small curvature surface of a nanowire represents a new approach to self-organized nanostructure preparation. Perhaps more profoundly, the periodic stress underlying each QD and the resulting modulation of electro-optical properties inside the nanowire backbone promise to provide a new platform for novel mechano-electronic, thermoelectronic, and optoelectronic devices. Herein, we report a first experimental demonstration of self-organized and self-limited growth of coherent, periodic Ge QDs on a one-dimensional Si nanowire substrate. Systematic characterizations reveal several distinctively different modes of Ge QD ordering on the Si nanowire substrate depending on the core diameter. In particular, Ge QD arrays on Si nanowires of around 20 nm diameter predominantly exhibit an anticorrelated pattern whose wavelength agrees with theoretical predictions. The correlated pattern can be attributed to propagation and correlation of misfit strain across the diameter of the thin nanowire substrate. The QD array growth is self-limited as the wavelength of the QDs remains unchanged even after prolonged Ge deposition. Furthermore, we demonstrate a direct kinetic transformation from a uniform Ge shell layer to discrete QD arrays by a postgrowth annealing process.

Electronic and thermal transport study of sinusoidally corrugated nanowires aiming to improve thermoelectric efficiency.

PubMed

Park, K H; Martin, P N; Ravaioli, U

2016-01-22

Improvement of thermoelectric efficiency has been very challenging in the solid-state industry due to the interplay among transport coefficients which measure the efficiency. In this work, we modulate the geometry of nanowires to interrupt thermal transport with causing only a minimal impact on electronic transport properties, thereby maximizing the thermoelectric power generation. As it is essential to scrutinize comprehensively both electronic and thermal transport behaviors for nano-scale thermoelectric devices, we investigate the Seebeck coefficient, the electrical conductance, and the thermal conductivity of sinusoidally corrugated silicon nanowires and eventually look into an enhancement of the thermoelectric figure-of-merit [Formula: see text] from the modulated nanowires over typical straight nanowires. A loss in the electronic transport coefficient is calculated with the recursive Green function along with the Landauer formalism, and the thermal transport is simulated with the molecular dynamics. In contrast to a small influence on the thermopower and the electrical conductance of the geometry-modulated nanowires, a large reduction of the thermal conductivity yields an enhancement of the efficiency by 10% to 35% from the typical nanowires. We find that this approach can be easily extended to various structures and materials as we consider the geometrical modulation as a sole source of perturbation to the system.

Electrodeposition of bismuth:tellurium nanowire arrays into porous alumina templates for thermoelectric applications

NASA Astrophysics Data System (ADS)

Trahey, Lynn

that the as-grown nanowires are Te-rich or Bi-deficient, which agrees with Seebeck coefficient data showing the arrays are n-type semiconductors. In collaboration with Marlow Industries, the thermoelectric performance of the arrays was gauged. The nanowire arrays were successfully contacted with robust nickel layers as revealed by the low AC resistances of the arrays. One array was incorporated into a hybrid thermoelectric device and a DeltaT of 14.8°C was measured, indicating that the measurement and electrical contact approaches were successful despite further optimization being needed.

Study of spin dynamics and damping on the magnetic nanowire arrays with various nanowire widths

NASA Astrophysics Data System (ADS)

Cho, Jaehun; Fujii, Yuya; Konioshi, Katsunori; Yoon, Jungbum; Kim, Nam-Hui; Jung, Jinyong; Miwa, Shinji; Jung, Myung-Hwa; Suzuki, Yoshishige; You, Chun-Yeol

2016-07-01

We investigate the spin dynamics including Gilbert damping in the ferromagnetic nanowire arrays. We have measured the ferromagnetic resonance of ferromagnetic nanowire arrays using vector-network analyzer ferromagnetic resonance (VNA-FMR) and analyzed the results with the micromagnetic simulations. We find excellent agreement between the experimental VNA-FMR spectra and micromagnetic simulations result for various applied magnetic fields. We find that the same tendency of the demagnetization factor for longitudinal and transverse conditions, Nz (Ny) increases (decreases) as increasing the nanowire width in the micromagnetic simulations while Nx is almost zero value in transverse case. We also find that the Gilbert damping constant increases from 0.018 to 0.051 as the increasing nanowire width for the transverse case, while it is almost constant as 0.021 for the longitudinal case.

Magnetic nanorings and manipulation of nanowires

NASA Astrophysics Data System (ADS)

Chien, C. L.

2006-03-01

The properties of nanoscale entities, such as nanorings and nanowires, and the response of such entities to external fields are dictated by their geometrical shapes and sizes, which can be manipulated by fabrication. We have developed a method for fabricating a large number of nanorings (10^10) of different sizes in the range of 100 nm and ring cross sections. During magnetic reversal, both the vortex state and the rotating onion state appear with different proportions, which depend on the ring diameter, ring cross section, and the profile of the ring cross section. In the case of nanowires in suspension, the large aspect ratio of the nanowires can be exploited for manipulation despite extremely small Reynolds numbers of 10-5. Using AC electric field applied to microelectrodes, both magnetic and non-magnetic nanowires can be efficiently assembled into desired patterns. We also demonstrate rotation of nanowires with precisely controlled rotation speed and chirality, as well as an electrically driven nanowire micromotor a few in size. In collaboration with F. Q. Zhu, D. L. Fan, O. Tchernyshyov, R. C. Cammarata (Johns Hopkins University) and X. C. Zhu and J. G. Zhu (Carnegie-Mellon University).

Sensors and devices containing ultra-small nanowire arrays

DOEpatents

Xiao, Zhili

2014-09-23

A network of nanowires may be used for a sensor. The nanowires are metallic, each nanowire has a thickness of at most 20 nm, and each nanowire has a width of at most 20 nm. The sensor may include nanowires comprising Pd, and the sensor may sense a change in hydrogen concentration from 0 to 100%. A device may include the hydrogen sensor, such as a vehicle, a fuel cell, a hydrogen storage tank, a facility for manufacturing steel, or a facility for refining petroleum products.

Sensors and devices containing ultra-small nanowire arrays

DOEpatents

Xiao, Zhili

2017-04-11

A network of nanowires may be used for a sensor. The nanowires are metallic, each nanowire has a thickness of at most 20 nm, and each nanowire has a width of at most 20 nm. The sensor may include nanowires comprising Pd, and the sensor may sense a change in hydrogen concentration from 0 to 100%. A device may include the hydrogen sensor, such as a vehicle, a fuel cell, a hydrogen storage tank, a facility for manufacturing steel, or a facility for refining petroleum products.

Ta2O5 nanowires: a novel synthetic method and their solar energy utilization.

PubMed

Lü, Xujie; Ding, Shangjun; Lin, Tianquan; Mou, Xinliang; Hong, Zhanglian; Huang, Fuqiang

2012-01-14

Single-crystalline uniform Ta(2)O(5) nanowires are prepared by a novel synthetic route. The formation of the nanowires involves an oriented attachment process caused by the reduction of surface energy. The nanowires are successfully applied to photocatalytic H(2) evolution, contaminant degradation, and dye-sensitized solar cells (DSCs). The Ta(2)O(5)-based DSCs reveal a significant photovoltaic response, which has not been reported. As a photocatalyst, the Ta(2)O(5) nanowires possess high H(2) evolution efficiency under Xe lamp irradiation, nearly 27-fold higher than the commercial powders. A better performance of photocatalytic contaminant degradation is also observed. Such improvements are ascribed to better charge transport ability for the single-crystalline wire and a higher potential energy of the conduction band. This new synthetic approach using a water-soluble precursor provides a versatile way to prepare nanostructured metal oxides.

Zinc oxide nanowire gamma ray detector with high spatiotemporal resolution

NASA Astrophysics Data System (ADS)

Mayo, Daniel C.; Nolen, J. Ryan; Cook, Andrew; Mu, Richard R.; Haglund, Richard F.

2016-03-01

Conventional scintillation detectors are typically single crystals of heavy-metal oxides or halides doped with rare-earth ions that record the recombination of electron-hole pairs by photon emission in the visible to ultraviolet. However, the light yields are typically low enough to require photomultiplier detection with the attendant instrumental complications. Here we report initial studies of gamma ray detection by zinc oxide (ZnO) nanowires, grown by vapor-solid deposition. The nanowires grow along the c-axis in a wurtzite structure; they are typically 80 nm in diameter and have lengths of 1- 2 μm. The nanowires are single crystals of high quality, with a photoluminescence (PL) yield from band-edge exciton emission in the ultraviolet that is typically one hundred times larger than the PL yield from defect centers in the visible. Nanowire ensembles were irradiated by 662 keV gamma rays from a Cs-137 source for periods of up to ten hours; gamma rays in this energy range interact by Compton scattering, which in ZnO creates F+ centers that relax to form singly-charged positive oxygen vacancies. Following irradiation, we fit the PL spectra of the visible emission with a sum of Gaussians at the energies of the known defects. We find highly efficient PL from the irradiated area, with a figure of merit approaching 106 photons/s/MeV of deposited energy. Over a period of days, the singly charged O+ vacancies relax to the more stable doubly charged O++ vacancies. However, the overall defect PL returns to pre-irradiation values after about a week, as the vacancies diffuse to the surface of these very thin nanowires, indicating that a self-healing process restores the nanowires to their original state.

Mapping the magnetic and crystal structure in cobalt nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cantu-Valle, Jesus; Betancourt, Israel; Sanchez, John E.

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 magneticmore » properties at the nanometric scale.« less

Optically controllable nanobreaking of metallic nanowires

NASA Astrophysics Data System (ADS)

Zhou, Lina; Lu, Jinsheng; Yang, Hangbo; Luo, Si; Wang, Wei; Lv, Jun; Qiu, Min; Li, Qiang

2017-02-01

Nanobreaking of nanowires has shown its necessity for manufacturing integrated nanodevices as nanojoining does. In this letter, we develop a method for breaking gold pentagonal nanowires by taking advantage of the photothermal effect with a 532 nm continuous-wave (CW) laser. The critical power required for nanobreaking is much lower for perpendicular polarization than that for parallel polarization. By controlling the polarization and the power of the irradiation light for nanobreaking, the nanowires can be cut into segments with gap widths ranging from dozens of nanometers to several micrometers. This CW light-induced single point nanobreaking of metallic nanowires provides a highly useful and promising method in constructing nanosystems.

Far field emission profile of pure wurtzite InP nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bulgarini, Gabriele, E-mail: g.bulgarini@tudelft.nl; Reimer, Michael E.; Zwiller, Val

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 themore » 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.« less

Synthesis of Platinum-nickel Nanowires and Optimization for Oxygen Reduction Performance

DOE PAGES

Alia, Shaun M.; Pivovar, Bryan S.

2018-01-01

Platinum-nickel (Pt-Ni) nanowires were developed as fuel cell electrocatalysts, and were optimized for the performance and durability in the oxygen reduction reaction. Spontaneous galvanic displacement was used to deposit Pt layers onto Ni nanowire substrates. The synthesis approach produced catalysts with high specific activities and high Pt surface areas. Hydrogen annealing improved Pt and Ni mixing and specific activity. Acid leaching was used to preferentially remove Ni near the nanowire surface, and oxygen annealing was used to stabilize near-surface Ni, improving durability and minimizing Ni dissolution. These protocols detail the optimization of each post-synthesis processing step, including hydrogen annealing tomore » 250 degrees C, exposure to 0.1 M nitric acid, and oxygen annealing to 175 degrees C. Through these steps, Pt-Ni nanowires produced increased activities more than an order of magnitude than Pt nanoparticles, while offering significant durability improvements. The presented protocols are based on Pt-Ni systems in the development of fuel cell catalysts. Furthermore, these techniques have also been used for a variety of metal combinations, and can be applied to develop catalysts for a number of electrochemical processes.« less

Synthesis of Platinum-nickel Nanowires and Optimization for Oxygen Reduction Performance.

PubMed

Alia, Shaun M; Pivovar, Bryan S

2018-04-27

Platinum-nickel (Pt-Ni) nanowires were developed as fuel cell electrocatalysts, and were optimized for the performance and durability in the oxygen reduction reaction. Spontaneous galvanic displacement was used to deposit Pt layers onto Ni nanowire substrates. The synthesis approach produced catalysts with high specific activities and high Pt surface areas. Hydrogen annealing improved Pt and Ni mixing and specific activity. Acid leaching was used to preferentially remove Ni near the nanowire surface, and oxygen annealing was used to stabilize near-surface Ni, improving durability and minimizing Ni dissolution. These protocols detail the optimization of each post-synthesis processing step, including hydrogen annealing to 250 °C, exposure to 0.1 M nitric acid, and oxygen annealing to 175 °C. Through these steps, Pt-Ni nanowires produced increased activities more than an order of magnitude than Pt nanoparticles, while offering significant durability improvements. The presented protocols are based on Pt-Ni systems in the development of fuel cell catalysts. These techniques have also been used for a variety of metal combinations, and can be applied to develop catalysts for a number of electrochemical processes.

Synthesis of Platinum-nickel Nanowires and Optimization for Oxygen Reduction Performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alia, Shaun M.; Pivovar, Bryan S.

Platinum-nickel (Pt-Ni) nanowires were developed as fuel cell electrocatalysts, and were optimized for the performance and durability in the oxygen reduction reaction. Spontaneous galvanic displacement was used to deposit Pt layers onto Ni nanowire substrates. The synthesis approach produced catalysts with high specific activities and high Pt surface areas. Hydrogen annealing improved Pt and Ni mixing and specific activity. Acid leaching was used to preferentially remove Ni near the nanowire surface, and oxygen annealing was used to stabilize near-surface Ni, improving durability and minimizing Ni dissolution. These protocols detail the optimization of each post-synthesis processing step, including hydrogen annealing tomore » 250 degrees C, exposure to 0.1 M nitric acid, and oxygen annealing to 175 degrees C. Through these steps, Pt-Ni nanowires produced increased activities more than an order of magnitude than Pt nanoparticles, while offering significant durability improvements. The presented protocols are based on Pt-Ni systems in the development of fuel cell catalysts. Furthermore, these techniques have also been used for a variety of metal combinations, and can be applied to develop catalysts for a number of electrochemical processes.« less

Solution-processed copper-nickel nanowire anodes for organic solar cells

NASA Astrophysics Data System (ADS)

Stewart, Ian E.; Rathmell, Aaron R.; Yan, Liang; Ye, Shengrong; Flowers, Patrick F.; You, Wei; Wiley, Benjamin J.

2014-05-01

This work describes a process to make anodes for organic solar cells from copper-nickel nanowires with solution-phase processing. Copper nanowire films were coated from solution onto glass and made conductive by dipping them in acetic acid. Acetic acid removes the passivating oxide from the surface of copper nanowires, thereby reducing the contact resistance between nanowires to nearly the same extent as hydrogen annealing. Films of copper nanowires were made as oxidation resistant as silver nanowires under dry and humid conditions by dipping them in an electroless nickel plating solution. Organic solar cells utilizing these completely solution-processed copper-nickel nanowire films exhibited efficiencies of 4.9%.This work describes a process to make anodes for organic solar cells from copper-nickel nanowires with solution-phase processing. Copper nanowire films were coated from solution onto glass and made conductive by dipping them in acetic acid. Acetic acid removes the passivating oxide from the surface of copper nanowires, thereby reducing the contact resistance between nanowires to nearly the same extent as hydrogen annealing. Films of copper nanowires were made as oxidation resistant as silver nanowires under dry and humid conditions by dipping them in an electroless nickel plating solution. Organic solar cells utilizing these completely solution-processed copper-nickel nanowire films exhibited efficiencies of 4.9%. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr01024h

Fabrication of cross-shaped Cu-nanowire resistive memory devices using a rapid, scalable, and designable inorganic-nanowire-digital-alignment technique (Conference Presentation)

NASA Astrophysics Data System (ADS)

Xu, Wentao; Lee, Yeongjun; Min, Sung-Yong; Park, Cheolmin; Lee, Tae-Woo

2016-09-01

Resistive random-access memory (RRAM) is a candidate next generation nonvolatile memory due to its high access speed, high density and ease of fabrication. Especially, cross-point-access allows cross-bar arrays that lead to high-density cells in a two-dimensional planar structure. Use of such designs could be compatible with the aggressive scaling down of memory devices, but existing methods such as optical or e-beam lithographic approaches are too complicated. One-dimensional inorganic nanowires (i-NWs) are regarded as ideal components of nanoelectronics to circumvent the limitations of conventional lithographic approaches. However, post-growth alignment of these i-NWs precisely on a large area with individual control is still a difficult challenge. Here, we report a simple, inexpensive, and rapid method to fabricate two-dimensional arrays of perpendicularly-aligned, individually-conductive Cu-NWs with a nanometer-scale CuxO layer sandwiched at each cross point, by using an inorganic-nanowire-digital-alignment technique (INDAT) and a one-step reduction process. In this approach, the oxide layer is self-formed and patterned, so conventional deposition and lithography are not necessary. INDAT eliminates the difficulties of alignment and scalable fabrication that are encountered when using currently-available techniques that use inorganic nanowires. This simple process facilitates fabrication of cross-point nonvolatile memristor arrays. Fabricated arrays had reproducible resistive switching behavior, high on/off current ratio (Ion/Ioff) 10 6 and extensive cycling endurance. This is the first report of memristors with the resistive switching oxide layer self-formed, self-patterned and self-positioned; we envision that the new features of the technique will provide great opportunities for future nano-electronic circuits.

Dielectrophoretic investigation of Bi₂Te₃ nanowires-a microfabricated thermoelectric characterization platform for measuring the thermoelectric and structural properties of single nanowires.

PubMed

Wang, Zhi; Kojda, Danny; Peranio, Nicola; Kroener, Michael; Mitdank, Rüdiger; Toellner, William; Nielsch, Kornelius; Fischer, Saskia F; Gutsch, Sebastian; Zacharias, Margit; Eibl, Oliver; Woias, Peter

2015-03-27

In this article a microfabricated thermoelectric nanowire characterization platform to investigate the thermoelectric and structural properties of single nanowires is presented. By means of dielectrophoresis (DEP), a method to manipulate and orient nanowires in a controlled way to assemble them onto our measurement platform is introduced. The thermoelectric platform fabricated with optimally designed DEP electrodes results in a yield of nanowire assembly of approximately 90% under an applied peak-to-peak ac signal Vpp = 10 V and frequency f = 20 MHz within a series of 200 experiments. Ohmic contacts between the aligned single nanowire and the electrodes on the platform are established by electron beam-induced deposition. The Seebeck coefficient and electrical conductivity of electrochemically synthesized Bi2Te3 nanowires are measured to be -51 μV K(-1) and (943 ± 160)/(Ω(-1) cm(-1)), respectively. Chemical composition and crystallographic structure are obtained using transmission electron microscopy. The selected nanowire is observed to be single crystalline over its entire length and no grain boundaries are detected. At the surface of the nanowire, 66.1 ± 1.1 at.% Te and 34.9 ± 1.1 at.% Bi are observed. In contrast, chemical composition of 64.2 at.% Te and 35.8 at.% Bi is detected in the thick center of the nanowire.

Modal analysis of the thermal conductivity of nanowires: examining unique thermal transport features.

PubMed

Samaraweera, Nalaka; Larkin, Jason M; Chan, Kin L; Mithraratne, Kumar

2018-06-06

In this study, unique thermal transport features of nanowires over bulk materials are investigated using a combined analysis based on lattice dynamics and equilibrium molecular dynamics (EMD). The evaluation of the thermal conductivity (TC) of Lenard-Jones nanowires becomes feasible due to the multi-step normal mode decomposition (NMD) procedure implemented in the study. A convergence issue of the TC of nanowires is addressed by the NMD implementation for two case studies, which employ pristine nanowires (PNW) and superlattice nanowires. Interestingly, mode relaxation times at low frequencies of acoustic branches exhibit signs of approaching constant values, thus indicating the convergence of TC. The TC evaluation procedure is further verified by implementing EMD-based Green-Kubo analysis, which is based on a fundamentally different physical perspective. Having verified the NMD procedure, the non-monotonic trend of the TC of nanowires is addressed. It is shown that the principal cause for the observed trend is due to the competing effects of long wavelength phonons and phonon-surface scatterings as the nanowire's cross-sectional width is changed. A computational procedure is developed to decompose the different modal contribution to the TC of shell alloy nanowires (SANWs) using virtual crystal NMD and the Allen-Feldman theory. Several important conclusions can be drawn from the results. A propagons to non-propagons boundary appeared, resulting in a cut-off frequency (ω cut ); moreover, as alloy atomic mass is increased, ω cut shifts to lower frequencies. The existence of non-propagons partly causes the low TC of SANWs. It can be seen that modes with low frequencies demonstrate a similar behavior to corresponding modes of PNWs. Moreover, lower group velocities associated with higher alloy atomic mass resulted in a lower TC of SANWs.

Structure evolution and electrical transport property of Si nanowire

NASA Astrophysics Data System (ADS)

Wang, Y.; Li, Q. Q.; Dong, J. C.; He, Y. Z.; Li, H.

2015-02-01

Various optimized Si and its alloy nanowires, from a monoatomic chain to helical and multishell coaxial cylinder, have been obtained. Results reveal that the structure of the Si nanowires transforms as the radii of the carbon nanotubes increase, despite of the chirality of the CNTs. We also calculate the physical properties, such as density of states, transmission functions, current-voltage (I-V) characteristics, and conductance spectra (G-V) of optimized nanowires and alloy nanowires sandwiched between two gold contacts. Interestingly, compared with the pure Si nanowires, the conductance of the alloy nanowires is even lower.

Nanowire sensor, sensor array, and method for making the same

NASA Technical Reports Server (NTRS)

Homer, Margie (Inventor); Fleurial, Jean-Pierre (Inventor); Bugga, Ratnakumar (Inventor); Vasquez, Richard (Inventor); Yun, Minhee (Inventor); Myung, Nosang (Inventor); Choi, Daniel (Inventor); Goddard, William (Inventor); Ryan, Margaret (Inventor); Yen, Shiao-Pin (Inventor)

2012-01-01

The present invention relates to a nanowire sensor and method for forming the same. More specifically, the nanowire sensor comprises at least one nanowire formed on a substrate, with a sensor receptor disposed on a surface of the nanowire, thereby forming a receptor-coated nanowire. The nanowire sensor can be arranged as a sensor sub-unit comprising a plurality of homogeneously receptor-coated nanowires. A plurality of sensor subunits can be formed to collectively comprise a nanowire sensor array. Each sensor subunit in the nanowire sensor array can be formed to sense a different stimulus, allowing a user to sense a plurality of stimuli. Additionally, each sensor subunit can be formed to sense the same stimuli through different aspects of the stimulus. The sensor array is fabricated through a variety of techniques, such as by creating nanopores on a substrate and electrodepositing nanowires within the nanopores.

Mask-free, vacuum-free fabrication of high-conductivity metallic nanowire by spatially shaped ultrafast laser (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wang, Andong; Li, Xiaowei; Qu, Lianti; Lu, Yongfeng; Jiang, Lan

2017-03-01

Metal nanowire fabrication has drawn tremendous attention in recent years due to its wide application in electronics, optoelectronics, and plasmonics. However, conventional laser fabrication technologies are limited by diffraction limit thus the fabrication resolution cannot meet the increasingly high demand of modern devices. Herein we report on a novel method for high-resolution high-quality metal nanowire fabrication by using Hermite-Gaussian beam to ablate metal thin film. The nanowire is formed due to the intensity valley in the center of the laser beam while the surrounding film is ablated. Arbitrary nanowire can be generated on the substrate by dynamically adjusting the orientation of the intensity valley. This method shows obvious advantages compared to conventional methods. First, the minimum nanowire has a width of 60 nm (≍1/13 of the laser wavelength), which is much smaller than the diffraction limit. The high resolution is achieved by combining the ultrashort nature of the femtosecond laser and the low thermal conductivity of the thin film. In addition, the fabricated nanowires have good inside qualities. No inner nanopores and particle intervals are generated inside the nanowire, thus endowing the nanowire with good electronic characteristics: the conductivity of the nanowires is as high as 1.2×107 S/m (≍1/4 of buck material), and the maximum current density is up to 1.66×108 A/m2. Last, the nanowire has a good adhesion to the substrates, which can withstand ultrasonic bath for a long time. These advantages make our method a good approach for high-resolution high-quality nanowire fabrication as a complementary method to conventional lithography methods.

Using galvanostatic electroforming of Bi 1–xSb x nanowires to control composition, crystallinity, and orientation

DOE PAGES

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

2014-12-03

When using galvanostatic pulse deposition, we studied the factors influencing the quality of electroformed Bi 1–xSb x 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 SbI 3 -based chemistry were polycrystalline with no preferred orientation, whereas arrays electroformed from an SbCl 3-based chemistry were strongly crystallographically textured with the desired trigonal orientation for optimal thermoelectric performance. From the SbCl 3 bath, the electroformed nanowire arraysmore » 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 Bi 0.75 Sb 0.25. However, the nanowire compositions were slightly enriched in Sb in a small region near the edges of the array, with the composition approaching Bi 0.70Sb 0.30.« less

Multiphase mean curvature flows with high mobility contrasts: A phase-field approach, with applications to nanowires

NASA Astrophysics Data System (ADS)

Bretin, Elie; Danescu, Alexandre; Penuelas, José; Masnou, Simon

2018-07-01

The structure of many multiphase systems is governed by an energy that penalizes the area of interfaces between phases weighted by surface tension coefficients. However, interface evolution laws depend also on interface mobility coefficients. Having in mind some applications where highly contrasted or even degenerate mobilities are involved, for which classical phase field models are inapplicable, we propose a new effective phase field approach to approximate multiphase mean curvature flows with mobilities. The key aspect of our model is to incorporate the mobilities not in the phase field energy (which is conventionally the case) but in the metric which determines the gradient flow. We show the consistency of such an approach by a formal analysis of the sharp interface limit. We also propose an efficient numerical scheme which allows us to illustrate the advantages of the model on various examples, as the wetting of droplets on solid surfaces or the simulation of nanowires growth generated by the so-called vapor-liquid-solid method.

Core-shell silicon nanowire solar cells

PubMed Central

Adachi, M. M.; Anantram, M. P.; Karim, K. S.

2013-01-01

Silicon nanowires can enhance broadband optical absorption and reduce radial carrier collection distances in solar cell devices. Arrays of disordered nanowires grown by vapor-liquid-solid method are attractive because they can be grown on low-cost substrates such as glass, and are large area compatible. Here, we experimentally demonstrate that an array of disordered silicon nanowires surrounded by a thin transparent conductive oxide has both low diffuse and specular reflection with total values as low as < 4% over a broad wavelength range of 400 nm < λ < 650 nm. These anti-reflective properties together with enhanced infrared absorption in the core-shell nanowire facilitates enhancement in external quantum efficiency using two different active shell materials: amorphous silicon and nanocrystalline silicon. As a result, the core-shell nanowire device exhibits a short-circuit current enhancement of 15% with an amorphous Si shell and 26% with a nanocrystalline Si shell compared to their corresponding planar devices. PMID:23529071

Diamond nanowires: fabrication, structure, properties, and applications.

PubMed

Yu, Yuan; Wu, Liangzhuan; Zhi, Jinfang

2014-12-22

C(sp(3) )C-bonded diamond nanowires are wide band gap semiconductors that exhibit a combination of superior properties such as negative electron affinity, chemical inertness, high Young's modulus, the highest hardness, and room-temperature thermal conductivity. The creation of 1D diamond nanowires with their giant surface-to-volume ratio enhancements makes it possible to control and enhance the fundamental properties of diamond. Although theoretical comparisons with carbon nanotubes have shown that diamond nanowires are energetically and mechanically viable structures, reproducibly synthesizing the crystalline diamond nanowires has remained challenging. We present a comprehensive, up-to-date review of diamond nanowires, including a discussion of their synthesis along with their structures, properties, and applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Guided Growth of Horizontal p-Type ZnTe Nanowires

PubMed Central

2016-01-01

A major challenge toward large-scale integration of nanowires is the control over their alignment and position. A possible solution to this challenge is the guided growth process, which enables the synthesis of well-aligned horizontal nanowires that grow according to specific epitaxial or graphoepitaxial relations with the substrate. However, the guided growth of horizontal nanowires was demonstrated for a limited number of materials, most of which exhibit unintentional n-type behavior. Here we demonstrate the vapor–liquid–solid growth of guided horizontal ZnTe nanowires and nanowalls displaying p-type behavior on four different planes of sapphire. The growth directions of the nanowires are determined by epitaxial relations between the nanowires and the substrate or by a graphoepitaxial effect that guides their growth along nanogrooves or nanosteps along the surface. We characterized the crystallographic orientations and elemental composition of the nanowires using transmission electron microscopy and photoluminescence. The optoelectronic and electronic properties of the nanowires were studied by fabricating photodetectors and top-gate thin film transistors. These measurements showed that the guided ZnTe nanowires are p-type semiconductors and are photoconductive in the visible range. The guided growth of horizontal p-type nanowires opens up the possibility of parallel nanowire integration into functional systems with a variety of potential applications not available by other means. PMID:27885331

Guided Growth of Horizontal p-Type ZnTe Nanowires.

PubMed

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

2016-08-04

A major challenge toward large-scale integration of nanowires is the control over their alignment and position. A possible solution to this challenge is the guided growth process, which enables the synthesis of well-aligned horizontal nanowires that grow according to specific epitaxial or graphoepitaxial relations with the substrate. However, the guided growth of horizontal nanowires was demonstrated for a limited number of materials, most of which exhibit unintentional n-type behavior. Here we demonstrate the vapor-liquid-solid growth of guided horizontal ZnTe nanowires and nanowalls displaying p-type behavior on four different planes of sapphire. The growth directions of the nanowires are determined by epitaxial relations between the nanowires and the substrate or by a graphoepitaxial effect that guides their growth along nanogrooves or nanosteps along the surface. We characterized the crystallographic orientations and elemental composition of the nanowires using transmission electron microscopy and photoluminescence. The optoelectronic and electronic properties of the nanowires were studied by fabricating photodetectors and top-gate thin film transistors. These measurements showed that the guided ZnTe nanowires are p-type semiconductors and are photoconductive in the visible range. The guided growth of horizontal p-type nanowires opens up the possibility of parallel nanowire integration into functional systems with a variety of potential applications not available by other means.

Protein immobilization onto electrochemically synthesized CoFe nanowires

PubMed Central

Torati, Sri Ramulu; Reddy, Venu; Yoon, Seok Soo; Kim, CheolGi

2015-01-01

CoFe nanowires have been synthesized by the electrodeposition technique into the pores of a polycarbonate membrane with a nominal pore diameter of 50 nm, and the composition of CoFe nanowires varying by changing the source concentration of iron. The synthesized nanowire surfaces were functionalized with amine groups by treatment with aminopropyltriethoxysilane (APTES) linker, and then conjugated with streptavidin-Cy3 protein via ethyl (dimethylaminopropyl) carbodiimide and N-hydroxysuccinimide coupling chemistry. The oxide surface of CoFe nanowire is easily modified with aminopropyltriethoxysilane to form an amine terminating group, which is covalently bonded to streptavidin-Cy3 protein. The physicochemical properties of the nanowires were analyzed through different characterization techniques such as scanning electron microscope, energy dispersive spectroscopy, and vibrating sample magnetometer. Fluorescence microscopic studies and Fourier transform infrared studies confirmed the immobilization of protein on the nanowire surface. In addition, the transmission electron microscope analysis reveals the thin protein layer which is around 12–15 nm on the nanowire surfaces. PMID:25609966

Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lagos, M. J.; Laboratório Nacional de Nanotecnologia-LNNANO, 13083-970 Campinas-SP; Autreto, P. A. S.

2015-03-07

We report here an atomistic study of the mechanical deformation of Au{sub x}Cu{sub (1−x)} atomic-size wires (nanowires (NWs)) by means of high resolution transmission electron microscopy experiments. Molecular dynamics simulations were also carried out in order to obtain deeper insights on the dynamical properties of stretched NWs. The mechanical properties are significantly dependent on the chemical composition that evolves in time at the junction; some structures exhibit a remarkable de-alloying behavior. Also, our results represent the first experimental realization of mixed linear atomic chains (LACs) among transition and noble metals; in particular, surface energies induce chemical gradients on NW surfacesmore » that can be exploited to control the relative LAC compositions (different number of gold and copper atoms). The implications of these results for nanocatalysis and spin transport of one-atom-thick metal wires are addressed.« less

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

Swift adsorptive removal of Congo red from aqueous solution by K1.33Mn8O16 nanowires.

PubMed

Wu, Junshu; Li, Hongyi; Wang, Jinshu; Li, Zhifei

2013-08-01

A swift and efficient approach to converting organic dye effluents into fresh water could be of substantial benefit. In this study, we presented facile hydrothermal synthesis of K1.33Mn8O16 nanowires in ammonium fluoride (NH4F) aqueous solution. The crystallization process of K1.33Mn8O16 nanowires was investigated. The as-obtained K1.33Mn8O16 nanowires were used for swift adsorptive removal of Congo red from aqueous solution without adjusting pH value at room temperature. Adsorption kinetic experimental data are well described by pseudo-second-order rate kinetic model, and the adsorption isotherm fits Langmuir isotherm model. The present investigation provides an efficient approach to designing and fabricating manganese-based nanomaterials for environmental remediation.

The impact of nanocontact on nanowire based nanoelectronics.

PubMed

Lin, Yen-Fu; Jian, Wen-Bin

2008-10-01

Nanowire-based nanoelectronic devices will be innovative electronic building blocks from bottom up. The reduced nanocontact area of nanowire devices magnifies the contribution of contact electrical properties. Although a lot of two-contact-based ZnO nanoelectronics have been demonstrated, the electrical properties bringing either from the nanocontacts or from the nanowires have not been considered yet. High quality ZnO nanowires with a small deviation and an average diameter of 38 nm were synthesized to fabricate more than thirty nanowire devices. According to temperature behaviors of current-voltage curves and resistances, the devices could be grouped into three types. Type I devices expose thermally activated transport in ZnO nanowires and they could be considered as two Ohmic nanocontacts of the Ti electrode contacting directly on the nanowire. For those nanowire devices having a high resistance at room temperatures, they can be fitted accurately with the thermionic-emission theory and classified into type II and III devices according to their rectifying and symmetrical current-voltage behaviors. The type II device has only one deteriorated nanocontact and the other one Ohmic contact on single ZnO nanowire. An insulating oxide layer with thickness less than 20 nm should be introduced to describe electron hopping in the nanocontacts, so as to signalize one- and high-dimensional hopping conduction in type II and III devices.

Cross-phase separation of nanowires and nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, Fang; Duoss, Eric; Han, Jinkyu

In one embodiment, a process includes creating a mixture of an aqueous component, nanowires and nanoparticles, and a hydrophobic solvent and allowing migration of the nanowires to the hydrophobic solvent, where the nanoparticles remain in the aqueous component. Moreover, the nanowires and nanoparticles are in the aqueous component before the migration.

Liquid gallium ball/crystalline silicon polyhedrons/aligned silicon oxide nanowires sandwich structure: An interesting nanowire growth route

NASA Astrophysics Data System (ADS)

Pan, Zheng Wei; Dai, Sheng; Beach, David B.; Lowndes, Douglas H.

2003-10-01

We demonstrate the growth of silicon oxide nanowires through a sandwich-like configuration, i.e., Ga ball/Si polyhedrons/silicon oxide nanowires, by using Ga as the catalyst and SiO powder as the source material. The sandwich-like structures have a carrot-like morphology, consisting of three materials with different morphologies, states, and crystallographic structures. The "carrot" top is a liquid Ga ball with diameter of ˜10-30 μm; the middle part is a Si ring usually composed of about 10 μm-sized, clearly faceted, and crystalline Si polyhedrons that are arranged sequentially in a band around the lower hemisphere surface of the Ga ball; the bottom part is a carrot-shaped bunch of highly aligned silicon oxide nanowires that grow out from the downward facing facets of the Si polyhedrons. This study reveals several interesting nanowire growth phenomena that enrich the conventional vapor-liquid-solid nanowire growth mechanism.

Evaluating Plasmonic Transport in Current-carrying Silver Nanowires

PubMed Central

Song, Mingxia; Stolz, Arnaud; Zhang, Douguo; Arocas, Juan; Markey, Laurent; Colas des Francs, Gérard; Dujardin, Erik; Bouhelier, Alexandre

2013-01-01

Plasmonics is an emerging technology capable of simultaneously transporting a plasmonic signal and an electronic signal on the same information support1,2,3. In this context, metal nanowires are especially desirable for realizing dense routing networks4. A prerequisite to operate such shared nanowire-based platform relies on our ability to electrically contact individual metal nanowires and efficiently excite surface plasmon polaritons5 in this information support. In this article, we describe a protocol to bring electrical terminals to chemically-synthesized silver nanowires6 randomly distributed on a glass substrate7. The positions of the nanowire ends with respect to predefined landmarks are precisely located using standard optical transmission microscopy before encapsulation in an electron-sensitive resist. Trenches representing the electrode layout are subsequently designed by electron-beam lithography. Metal electrodes are then fabricated by thermally evaporating a Cr/Au layer followed by a chemical lift-off. The contacted silver nanowires are finally transferred to a leakage radiation microscope for surface plasmon excitation and characterization8,9. Surface plasmons are launched in the nanowires by focusing a near infrared laser beam on a diffraction-limited spot overlapping one nanowire extremity5,9. For sufficiently large nanowires, the surface plasmon mode leaks into the glass substrate9,10. This leakage radiation is readily detected, imaged, and analyzed in the different conjugate planes in leakage radiation microscopy9,11. The electrical terminals do not affect the plasmon propagation. However, a current-induced morphological deterioration of the nanowire drastically degrades the flow of surface plasmons. The combination of surface plasmon leakage radiation microscopy with a simultaneous analysis of the nanowire electrical transport characteristics reveals the intrinsic limitations of such plasmonic circuitry. PMID:24378340

Zinc oxide nanowire networks for macroelectronic devices

NASA Astrophysics Data System (ADS)

Unalan, Husnu Emrah; Zhang, Yan; Hiralal, Pritesh; Dalal, Sharvari; Chu, Daping; Eda, Goki; Teo, K. B. K.; Chhowalla, Manish; Milne, William I.; Amaratunga, Gehan A. J.

2009-04-01

Highly transparent zinc oxide (ZnO) nanowire networks have been used as the active material in thin film transistors (TFTs) and complementary inverter devices. A systematic study on a range of networks of variable density and TFT channel length was performed. ZnO nanowire networks provide a less lithographically intense alternative to individual nanowire devices, are always semiconducting, and yield significantly higher mobilites than those achieved from currently used amorphous Si and organic TFTs. These results suggest that ZnO nanowire networks could be ideal for inexpensive large area electronics.

Enhanced Photon Extraction from a Nanowire Quantum Dot Using a Bottom-Up Photonic Shell

NASA Astrophysics Data System (ADS)

Jeannin, Mathieu; Cremel, Thibault; Häyrynen, Teppo; Gregersen, Niels; Bellet-Amalric, Edith; Nogues, Gilles; Kheng, Kuntheak

2017-11-01

Semiconductor nanowires offer the possibility to grow high-quality quantum-dot heterostructures, and, in particular, CdSe quantum dots inserted in ZnSe nanowires have demonstrated the ability to emit single photons up to room temperature. In this paper, we demonstrate a bottom-up approach to fabricate a photonic fiberlike structure around such nanowire quantum dots by depositing an oxide shell using atomic-layer deposition. Simulations suggest that the intensity collected in our NA =0.6 microscope objective can be increased by a factor 7 with respect to the bare nanowire case. Combining microphotoluminescence, decay time measurements, and numerical simulations, we obtain a fourfold increase in the collected photoluminescence from the quantum dot. We show that this improvement is due to an increase of the quantum-dot emission rate and a redirection of the emitted light. Our ex situ fabrication technique allows a precise and reproducible fabrication on a large scale. Its improved extraction efficiency is compared to state-of-the-art top-down devices.

Hybrid metal–organic chalcogenide nanowires with electrically conductive inorganic core through diamondoid-directed assembly

DOE PAGES

Yan, Hao; Hohman, J. Nathan; Li, Fei Hua; ...

2016-12-26

Controlling inorganic structure and dimensionality through structure-directing agents is a versatile approach for new materials synthesis that has been used extensively for metal–organic frameworks and coordination polymers. However, the lack of ‘solid’ inorganic cores requires charge transport through single-atom chains and/or organic groups, limiting their electronic properties. Here, we report that strongly interacting diamondoid structure-directing agents guide the growth of hybrid metal–organic chalcogenide nanowires with solid inorganic cores having three-atom cross-sections, representing the smallest possible nanowires. The strong van der Waals attraction between diamondoids overcomes steric repulsion leading to a cis configuration at the active growth front, enabling face-on additionmore » of precursors for nanowire elongation. These nanowires have band-like electronic properties, low effective carrier masses and three orders-of-magnitude conductivity modulation by hole doping. Furthermore, this discovery highlights a previously unexplored regime of structure-directing agents compared with traditional surfactant, block copolymer or metal–organic framework linkers.« less

Misfit-guided self-organization of anti-correlated Ge quantum dot arrays on Si nanowires

PubMed Central

Kwon, Soonshin; Chen, Zack C.Y.; Kim, Ji-Hun; Xiang, Jie

2012-01-01

Misfit-strain guided growth of periodic quantum dot (QD) arrays in planar thin film epitaxy has been a popular nanostructure fabrication method. Engineering misfit-guided QD growth on a nanoscale substrate such as the small curvature surface of a nanowire represents a new approach to self-organized nanostructure preparation. Perhaps more profoundly, the periodic stress underlying each QD and the resulting modulation of electro-optical properties inside the nanowire backbone promise to provide a new platform for novel mechano-electronic, thermoelectronic, and optoelectronic devices. Herein, we report a first experimental demonstration of self-organized and self-limited growth of coherent, periodic Ge QDs on a one dimensional Si nanowire substrate. Systematic characterizations reveal several distinctively different modes of Ge QD ordering on the Si nanowire substrate depending on the core diameter. In particular, Ge QD arrays on Si nanowires of around 20 nm diameter predominantly exhibit an anti-correlated pattern whose wavelength agrees with theoretical predictions. The correlated pattern can be attributed to propagation and correlation of misfit strain across the diameter of the thin nanowire substrate. The QD array growth is self-limited as the wavelength of the QDs remains unchanged even after prolonged Ge deposition. Furthermore, we demonstrate a direct kinetic transformation from a uniform Ge shell layer to discrete QD arrays by a post-growth annealing process. PMID:22889063

Nondestructive Complete Mechanical Characterization of Zinc Blende and Wurtzite GaAs Nanowires Using Time-Resolved Pump-Probe Spectroscopy.

PubMed

Mante, Pierre-Adrien; Lehmann, Sebastian; Anttu, Nicklas; Dick, Kimberly A; Yartsev, Arkady

2016-08-10

We have developed and demonstrated an experimental method, based on the picosecond acoustics technique, to perform nondestructive complete mechanical characterization of nanowires, that is, the determination of the complete elasticity tensor. By means of femtosecond pump-probe spectroscopy, coherent acoustic phonons were generated in an ensemble of nanowires and their dynamics was resolved. Specific phonon modes were identified and the detection mechanism was addressed via wavelength dependent experiments. We calculated the exact phonon dispersion relation of the nanowires by fitting the experimentally observed frequencies, thus allowing the extraction of the complete elasticity tensor. The elasticity tensor and the nanowire diameter were determined for zinc blende GaAs nanowires and were found to be in a good agreement with literature data and independent measurements. Finally, we have applied this technique to characterize wurtzite GaAs nanowires, a metastable phase in bulk, for which no experimental values of elastic constants are currently available. Our results agree well with previous first principle calculations. The proposed approach to the complete and nondestructive mechanical characterization of nanowires will allow the efficient mechanical study of new crystal phases emerging in nanostructures, as well as size-dependent properties of nanostructured materials.

Direct Band Gap Wurtzite Gallium Phosphide Nanowires

PubMed Central

2013-01-01

The main challenge for light-emitting diodes is to increase the efficiency in the green part of the spectrum. Gallium phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the green emission efficiency. Band structure calculations have predicted a direct band gap for wurtzite GaP. Here, we report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong photoluminescence at a wavelength of 594 nm with short lifetime, typical for a direct band gap. Furthermore, by incorporation of aluminum or arsenic in the GaP nanowires, the emitted wavelength is tuned across an important range of the visible light spectrum (555–690 nm). This approach of crystal structure engineering enables new pathways to tailor materials properties enhancing the functionality. PMID:23464761

Directional pair distribution function for diffraction line profile analysis of atomistic models

PubMed Central

Leonardi, Alberto; Leoni, Matteo; Scardi, Paolo

2013-01-01

The concept of the directional pair distribution function is proposed to describe line broadening effects in powder patterns calculated from atomistic models of nano-polycrystalline microstructures. The approach provides at the same time a description of the size effect for domains of any shape and a detailed explanation of the strain effect caused by the local atomic displacement. The latter is discussed in terms of different strain types, also accounting for strain field anisotropy and grain boundary effects. The results can in addition be directly read in terms of traditional line profile analysis, such as that based on the Warren–Averbach method. PMID:23396818

Self-powered heat-resistant polymeric 1D nanowires and 3D micro/nanowire assemblies in a pressure-crystallized size-distributed graphene oxide/poly (vinylidene fluoride) composite

NASA Astrophysics Data System (ADS)

Tian, Pengfei; Lyu, Jun; Huang, Rui; Zhang, Chaoliang

2017-12-01

Piezoelectric one- (1D) and three-dimensional (3D) hybrid micro/nanostructured materials have received intense research interest because of their ability in capturing trace amounts of energy and transforming it into electrical energy. In this work, a size-distributed graphene oxide (GO) was utilized for the concurrent growth of both the 1D nanowires and 3D micro/nanowire architectures of poly (vinylidene fluoride) (PVDF) with piezoelectricity. The in situ formation of the polymeric micro/nanostructures, with crystalline beta phase, was achieved by the high-pressure crystallization of a well dispersed GO/PVDF composite, fabricated by an environmentally friendly physical approach. Particularly, by controlling the crystallization conditions of the binary composite at high pressure, the melting point of the polymeric micro/nanowires, which further constructed the 3D micro/nanoarchitectures, was nearly 30°C higher than that of the original PVDF. The large scale simultaneous formation of the 1D and 3D micro/nanostructures was attributed to a size-dependent catalysis of the GOs in the pressure-treated composite system. The as-fabricated heat-resistant hybrid micro/nanoarchitectures, consisting of GOs and piezoelectric PVDF micro/nanowires, may permit niche applications in self-powered micro/nanodevices for energy scavenging from their working environments.

Stable Defects in Semiconductor Nanowires.

PubMed

Sanchez, A M; Gott, J A; Fonseka, H A; Zhang, Y; Liu, H; Beanland, R

2018-05-09

Semiconductor nanowires are commonly described as being defect-free due to their ability to expel mobile defects with long-range strain fields. Here, we describe previously undiscovered topologically protected line defects with null Burgers vector that, unlike dislocations, are stable in nanoscale crystals. We analyze the defects present in semiconductor nanowires in regions of imperfect crystal growth, i.e., at the nanowire tip formed during consumption of the droplet in self-catalyzed vapor-liquid-solid growth and subsequent vapor-solid shell growth. We use a form of the Burgers circuit method that can be applied to multiply twinned material without difficulty. Our observations show that the nanowire microstructure is very different from bulk material, with line defects either (a) trapped by locks or other defects, (b) arranged as dipoles or groups with a zero total Burgers vector, or (c) have a zero Burgers vector. We find two new line defects with a null Burgers vector, formed from the combination of partial dislocations in twinned material. The most common defect is the three-monolayer high twin facet with a zero Burgers vector. Studies of individual nanowires using cathodoluminescence show that optical emission is quenched in defective regions, showing that they act as strong nonradiative recombination centers.

Heterojunction photovoltaics using GaAs nanowires and conjugated polymers.

PubMed

Ren, Shenqiang; Zhao, Ni; Crawford, Samuel C; Tambe, Michael; Bulović, Vladimir; Gradecak, Silvija

2011-02-09

We demonstrate an organic/inorganic solar cell architecture based on a blend of poly(3-hexylthiophene) (P3HT) and narrow bandgap GaAs nanowires. The measured increase of device photocurrent with increased nanowire loading is correlated with structural ordering within the active layer that enhances charge transport. Coating the GaAs nanowires with TiO(x) shells passivates nanowire surface states and further improves the photovoltaic performance. We find that the P3HT/nanowire cells yield power conversion efficiencies of 2.36% under white LED illumination for devices containing 50 wt % of TiO(x)-coated GaAs nanowires. Our results constitute important progress for the use of nanowires in large area solution processed hybrid photovoltaic cells and provide insight into the role of structural ordering in the device performance.

Enhanced photovoltaic performance of an inclined nanowire array solar cell.

PubMed

Wu, Yao; Yan, Xin; Zhang, Xia; Ren, Xiaomin

2015-11-30

An innovative solar cell based on inclined p-i-n nanowire array is designed and analyzed. The results show that the inclined geometry can sufficiently increase the conversion efficiency of solar cells by enhancing the absorption of light in the active region. By tuning the nanowire array density, nanowire diameter, nanowire length, as well as the proportion of intrinsic region of the inclined nanowire solar cell, a remarkable efficiency in excess of 16% can be obtained in GaAs. Similar results have been obtained in InP and Si nanowire solar cells, demonstrating the universality of the performance enhancement of inclined nanowire arrays.

Size-dependent fracture behavior of silver nanowires.

PubMed

Cao, Ke; Han, Ying; Zhang, Hongti; Gao, Libo; Yang, Hongwei; Chen, Jialin; Li, Yuxiu; Lu, Yang

2018-07-20

Silver (Ag) nanowires have great potential to be used in the flexible electronics industry for their applications in flexible, transparent conductors due to high conductivity and light reflectivity. Those applications always involve mechanical loading and deformations, which requires an in-depth understanding of their mechanical behavior and performance under loadings. However, current understanding on the mechanical properties of Ag nanowires is limited, especially on their size-dependent fracture behavior. In this work, mechanical properties of Ag nanowires with diameters ranging from 50 to 300 nm were systematically studied by in situ TEM tensile testing for the first time. The size effect was clearly found, with the increasing of the diameter of Ag nanowires, the ultimate tensile stress decreased. More importantly, the fracture behavior of Ag nanowire was studied and a brittle-to-ductile transition in fracture behavior was observed at the diameters around 100 nm which could be attributed to the dislocation activities within the geometry confinement. This work could give insights for understanding nanosized Ag wires and the design of Ag nanowire-based flexible devices and touchable panels.

Size-dependent fracture behavior of silver nanowires

NASA Astrophysics Data System (ADS)

Cao, Ke; Han, Ying; Zhang, Hongti; Gao, Libo; Yang, Hongwei; Chen, Jialin; Li, Yuxiu; Lu, Yang

2018-07-01

Silver (Ag) nanowires have great potential to be used in the flexible electronics industry for their applications in flexible, transparent conductors due to high conductivity and light reflectivity. Those applications always involve mechanical loading and deformations, which requires an in-depth understanding of their mechanical behavior and performance under loadings. However, current understanding on the mechanical properties of Ag nanowires is limited, especially on their size-dependent fracture behavior. In this work, mechanical properties of Ag nanowires with diameters ranging from 50 to 300 nm were systematically studied by in situ TEM tensile testing for the first time. The size effect was clearly found, with the increasing of the diameter of Ag nanowires, the ultimate tensile stress decreased. More importantly, the fracture behavior of Ag nanowire was studied and a brittle-to-ductile transition in fracture behavior was observed at the diameters around 100 nm which could be attributed to the dislocation activities within the geometry confinement. This work could give insights for understanding nanosized Ag wires and the design of Ag nanowire-based flexible devices and touchable panels.

High thermoelectric properties of (Sb, Bi)2Te3 nanowire arrays by tilt-structure engineering

NASA Astrophysics Data System (ADS)

Tan, Ming; Hao, Yanming; Deng, Yuan; Chen, Jingyi

2018-06-01

In this paper, we present an innovative tilt-structure design concept for (Sb, Bi)2Te3 nanowire array assembled by high-quality nanowires with well oriented growth, utilizing a simple vacuum thermal evaporation technique. The unusual tilt-structure (Sb, Bi)2Te3 nanowire array with a tilted angle of 45° exhibits a high thermoelectric dimensionless figure-of-merit ZT = 1.72 at room temperature. The relatively high ZT value in contrast to that of previously reported (Sb, Bi)2Te3 materials and the vertical (Sb, Bi)2Te3 nanowire arrays evidently reveals the crucial role of the unique tilt-structure in favorably influencing carrier and phonon transport properties, resulting in a significantly improved ZT value. The transport mechanism of such tilt-structure is proposed and investigated. This method opens a new approach to optimize nano-structure in thin films for next-generation thermoelectric materials and devices.

Effect of the nanowire diameter on the linearity of the response of GaN-based heterostructured nanowire photodetectors.

PubMed

Spies, Maria; Polaczyński, Jakub; Ajay, Akhil; Kalita, Dipankar; Luong, Minh Anh; Lähnemann, Jonas; Gayral, Bruno; den Hertog, Martien I; Monroy, Eva

2018-06-22

Nanowire photodetectors are investigated because of their compatibility with flexible electronics, or for the implementation of on-chip optical interconnects. Such devices are characterized by ultrahigh photocurrent gain, but their photoresponse scales sublinearly with the optical power. Here, we present a study of single-nanowire photodetectors displaying a linear response to ultraviolet illumination. Their structure consists of a GaN nanowire incorporating an AlN/GaN/AlN heterostructure, which generates an internal electric field. The activity of the heterostructure is confirmed by the rectifying behavior of the current-voltage characteristics in the dark, as well as by the asymmetry of the photoresponse in magnitude and linearity. Under reverse bias (negative bias on the GaN cap segment), the detectors behave linearly with the impinging optical power when the nanowire diameter is below a certain threshold (≈80 nm), which corresponds to the total depletion of the nanowire stem due to the Fermi level pinning at the sidewalls. In the case of nanowires that are only partially depleted, their nonlinearity is explained by a nonlinear variation of the diameter of their central conducting channel under illumination.

Effect of the nanowire diameter on the linearity of the response of GaN-based heterostructured nanowire photodetectors

NASA Astrophysics Data System (ADS)

Spies, Maria; Polaczyński, Jakub; Ajay, Akhil; Kalita, Dipankar; Luong, Minh Anh; Lähnemann, Jonas; Gayral, Bruno; den Hertog, Martien I.; Monroy, Eva

2018-06-01

Nanowire photodetectors are investigated because of their compatibility with flexible electronics, or for the implementation of on-chip optical interconnects. Such devices are characterized by ultrahigh photocurrent gain, but their photoresponse scales sublinearly with the optical power. Here, we present a study of single-nanowire photodetectors displaying a linear response to ultraviolet illumination. Their structure consists of a GaN nanowire incorporating an AlN/GaN/AlN heterostructure, which generates an internal electric field. The activity of the heterostructure is confirmed by the rectifying behavior of the current–voltage characteristics in the dark, as well as by the asymmetry of the photoresponse in magnitude and linearity. Under reverse bias (negative bias on the GaN cap segment), the detectors behave linearly with the impinging optical power when the nanowire diameter is below a certain threshold (≈80 nm), which corresponds to the total depletion of the nanowire stem due to the Fermi level pinning at the sidewalls. In the case of nanowires that are only partially depleted, their nonlinearity is explained by a nonlinear variation of the diameter of their central conducting channel under illumination.

Electrodeposited highly-ordered manganese oxide nanowire arrays for supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Haifeng; Lu, Bingqiang; Wei, Shuiqiang; Bao, Mi; Wen, Yanxuan; Wang, Fan

2012-07-01

Large arrays of well-aligned Mn oxide nanowires were prepared by electrodeposition using anodic aluminum oxide templates. The sizes of nanowires were tuned by varying the electrotype solution involved and the MnO2 nanowires with 10 μm in length were obtained in a neutral KMnO4 bath for 1 h. MnO2 nanowire arrays grown on conductor substance save the tedious electrode-making process, and electrochemical characterization demonstrates that the MnO2 nanowire arrays electrode has good capacitive behavior. Due to the limited mass transportation in narrow spacing, the spacing effects between the neighbor nanowires have show great influence to the electrochemical performance.

Electrical and Optical Characterization of Nanowire based Semiconductor Devices

NASA Astrophysics Data System (ADS)

Ayvazian, Talin

This research project is focused on a new strategy for the creation of nanowire based semiconductor devices. The main goal is to understand and optimize the electrical and optical properties of two types of nanoscale devices; in first type lithographically patterned nanowire electrodeposition (LPNE) method has been utilized to fabricate nanowire field effect transistors (NWFET) and second type involved the development of light emitting semiconductor nanowire arrays (NWLED). Field effect transistors (NWFETs) have been prepared from arrays of polycrystalline cadmium selenide (pc-CdSe) nanowires using a back gate configuration. pc-CdSe nanowires were fabricated using the lithographically patterned nanowire electrode- position (LPNE) process on SiO2 /Si substrates. After electrodeposition, pc-CdSe nanowires were thermally annealed at 300 °C x 4 h either with or without exposure to CdCl 2 in methanol a grain growth promoter. The influence of CdCl2 treatment was to increase the mean grain diameter as determined by X-ray diffraction pattern and to convert the crystal structure from cubic to wurtzite. Transfer characteristics showed an increase of the field effect mobility (mu eff) by an order of magnitude and increase of the Ion/I off ratio by a factor of 3-4. Light emitting devices (NW-LED) based on lithographically patterned pc-CdSe nanowire arrays have been investigated. Electroluminescence (EL) spectra of CdSe nanowires under various biases exhibited broad emission spectra centered at 750 nm close to the band gap of CdSe (1.7eV). To enhance the intensity of the emitted light and the external quantum efficiency (EQE), the distance between the contacts were reduced from 5 mum to less than 1 mum which increased the efficiency by an order of magnitude. Also, increasing the annealing temperature of nanowires from 300 °C x4 h to 450 This research project is focused on a new strategy for the creation of nanowire based semiconductor devices. The main goal is to understand

Morphology Controlled Fabrication of InN Nanowires on Brass Substrates

PubMed Central

Li, Huijie; Zhao, Guijuan; Wang, Lianshan; Chen, Zhen; Yang, Shaoyan

2016-01-01

Growth of semiconductor nanowires on cheap metal substrates could pave the way to the large-scale manufacture of low-cost nanowire-based devices. In this work, we demonstrated that high density InN nanowires can be directly grown on brass substrates by metal-organic chemical vapor deposition. It was found that Zn from the brass substrates is the key factor in the formation of nanowires by restricting the lateral growth of InN. The nanowire morphology is highly dependent on the growth temperature. While at a lower growth temperature, the nanowires and the In droplets have large diameters. At the elevated growth temperature, the lateral sizes of the nanowires and the In droplets are much smaller. Moreover, the nanowire diameter can be controlled in situ by varying the temperature in the growth process. This method is very instructive to the diameter-controlled growth of nanowires of other materials. PMID:28335323

Hierarchically structured Co₃O₄@Pt@MnO₂ nanowire arrays for high-performance supercapacitors.

PubMed

Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

2013-10-17

Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2-based nanowire arrays for constructing next-generation supercapacitors.

Controlling Disorder by Electric Field Directed Reconfiguration of Nanowires to Tune Random Lasing.

PubMed

Donahue, Philip P; Zhang, Chenji; Nye, Nicholas; Miller, Jennifer; Wang, Cheng-Yu; Tang, Rong; Christodoulides, Demetrios; Keating, Christine D; Liu, Zhiwen

2018-06-27

Top-down fabrication is commonly used to provide positioning control of optical structures; yet, it places stringent limitations on component materials and oftentimes, dynamic reconfigurability is challenging to realize. Here we present a reconfigurable nanoparticle platform that can integrate heterogeneous particle assembly of different shapes, sizes, and material compositions. We demonstrate dynamic manipulation of disorder in this platform and use it to controllably enhance or frustrate random laser emission for a suspension of titanium dioxide nanowires in a dye solution. Using an alternating current electric field, we control the nanowire orientation to dynamically control the collective scattering of the sample and thus light confinement. Our theoretical model indicates that an increase of 22% in scattering coefficient can be achieved for the experimentally determined nanowire length distribution upon alignment. As a result, a nearly 20-fold enhancement in lasing intensity was achieved. We illustrate the generality of the approach by demonstrating enhanced lasing for aligned nanowires of other materials including gold, mixed gold/dielectric and vanadium oxide (VxOy).

Tunnel junction enhanced nanowire ultraviolet light emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarwar, A. T. M. Golam; May, Brelon J.; Deitz, Julia I.

Polarization engineered interband tunnel junctions (TJs) are integrated in nanowire ultraviolet (UV) light emitting diodes (LEDs). A ∼6 V reduction in turn-on voltage is achieved by the integration of tunnel junction at the base of polarization doped nanowire UV LEDs. Moreover, efficient hole injection into the nanowire LEDs leads to suppressed efficiency droop in TJ integrated nanowire LEDs. The combination of both reduced bias voltage and increased hole injection increases the wall plug efficiency in these devices. More than 100 μW of UV emission at ∼310 nm is measured with external quantum efficiency in the range of 4–6 m%. The realization of tunnel junctionmore » within the nanowire LEDs opens a pathway towards the monolithic integration of cascaded multi-junction nanowire LEDs on silicon.« less

Bending nanowire growth in solution by mechanical disturbance.

PubMed

Wang, Chao; Wei, Yujie; Jiang, Hongyuan; Sun, Shouheng

2010-06-09

The effect of mechanical disturbance on one-dimensional nanocrystal growth in solution phase is investigated by controlled growth of Au nanowires with and without stirring. While a static growth leads to straight, single-crystal Au nanowires, the mechanic disturbance by stirring tends to bend the nanowire growth, yielding nanowire kinks abundant in various types of crystal defects including dislocations, twin boundaries, and grain boundaries. Mechanical modeling and analysis is introduced to elucidate the nanowire growth mechanisms in these two conditions. The provided fundamental understanding of crystal defect formation at nanoscale could be applied to guide the development of advanced nanomaterials with shape control and unique mechanical properties.

Vertical Silicon Nanowire Field Effect Transistors with Nanoscale Gate-All-Around

NASA Astrophysics Data System (ADS)

Guerfi, Youssouf; Larrieu, Guilhem

2016-04-01

Nanowires are considered building blocks for the ultimate scaling of MOS transistors, capable of pushing devices until the most extreme boundaries of miniaturization thanks to their physical and geometrical properties. In particular, nanowires' suitability for forming a gate-all-around (GAA) configuration confers to the device an optimum electrostatic control of the gate over the conduction channel and then a better immunity against the short channel effects (SCE). In this letter, a large-scale process of GAA vertical silicon nanowire (VNW) MOSFETs is presented. A top-down approach is adopted for the realization of VNWs with an optimum reproducibility followed by thin layer engineering at nanoscale. Good overall electrical performances were obtained, with excellent electrostatic behavior (a subthreshold slope (SS) of 95 mV/dec and a drain induced barrier lowering (DIBL) of 25 mV/V) for a 15-nm gate length. Finally, a first demonstration of dual integration of n-type and p-type VNW transistors for the realization of CMOS inverter is proposed.

How Copper Nanowires Grow and How To Control Their Properties.

PubMed

Ye, Shengrong; Stewart, Ian E; Chen, Zuofeng; Li, Bo; Rathmell, Aaron R; Wiley, Benjamin J

2016-03-15

Scalable, solution-phase nanostructure synthesis has the promise to produce a wide variety of nanomaterials with novel properties at a cost that is low enough for these materials to be used to solve problems. For example, solution-synthesized metal nanowires are now being used to make low cost, flexible transparent electrodes in touch screens, organic light-emitting diodes (OLEDs), and solar cells. There has been a tremendous increase in the number of solution-phase syntheses that enable control over the assembly of atoms into nanowires in the last 15 years, but proposed mechanisms for nanowire formation are usually qualitative, and for many syntheses there is little consensus as to how nanowires form. It is often not clear what species is adding to a nanowire growing in solution or what mechanistic step limits its rate of growth. A deeper understanding of nanowire growth is important for efficiently directing the development of nanowire synthesis toward producing a wide variety of nanostructure morphologies for structure-property studies or producing precisely defined nanostructures for a specific application. This Account reviews our progress over the last five years toward understanding how copper nanowires form in solution, how to direct their growth into nanowires with dimensions ideally suited for use in transparent conducting films, and how to use copper nanowires as a template to grow core-shell nanowires. The key advance enabling a better understanding of copper nanowire growth is the first real-time visualization of nanowire growth in solution, enabling the acquisition of nanowire growth kinetics. By measuring the growth rate of individual nanowires as a function of concentration of the reactants and temperature, we show that a growing copper nanowire can be thought of as a microelectrode that is charged with electrons by hydrazine and grows through the diffusion-limited addition of Cu(OH)2(-). This deeper mechanistic understanding, coupled to an

As-Grown Gallium Nitride Nanowire Electromechanical Resonators

NASA Astrophysics Data System (ADS)

Montague, Joshua R.

Technological development in recent years has led to a ubiquity of micro- and nano-scale electromechanical devices. Sensors for monitoring temperature, pressure, mass, etc., are now found in nearly all electronic devices at both the industrial and consumer levels. As has been true for integrated circuit electronics, these electromechanical devices have continued to be scaled down in size. For many nanometer-scale structures with large surface-to-volume ratio, dissipation (energy loss) becomes prohibitively large causing a decreasing sensitivity with decreasing sensor size. In this work, gallium nitride (GaN) nanowires are investigated as singly-clamped (cantilever) mechanical resonators with typical mechanical quality factors, Q (equal to the ratio of resonance frequency to peak full-width-at-half-maximum-power) and resonance frequencies, respectively, at or above 30,000, and near 1 MHz. These Q values---in vacuum at room temperature---indicate very low levels of dissipation; they are essentially the same as those for bulk quartz crystal resonators that form the basis of simple clocks and mass sensors. The GaN nanowires have lengths and diameters, respectively, of approximately 15 micrometers and hundreds of nanometers. As-grown GaN nanowire Q values are larger than other similarly-sized, bottom-up, cantilever resonators and this property makes them very attractive for use as resonant sensors. We demonstrate the capability of detecting sub-monolayer levels of atomic layer deposited (ALD) films, and the robust nature of the GaN nanowires structure that allows for their 'reuse' after removal of such layers. In addition to electron microscope-based measurement techniques, we demonstrate the successful capacitive detection of a single nanowire using microwave homodyne reflectometry. This technique is then extended to allow for simultaneous measurements of large ensembles of GaN nanowires on a single sample, providing statistical information about the distribution of

Miniaturized accelerometer made with ZnO nanowires

NASA Astrophysics Data System (ADS)

Song, Sangho; Kim, Jeong Woong; Kim, Hyun Chan; Yun, Youngmin; Kim, Jaehwan

2017-04-01

Miniaturized accelerometer is required in many applications, such as, robotics, haptic devices, gyroscopes, simulators and mobile devices. ZnO is an essential semiconductor material with wide direct band gap, thermal stability and piezoelectricity. Especially, well aligned ZnO nanowire is appropriate for piezoelectric applications since it can produce high electrical signal under mechanical load. To miniaturize accelerometer, an aligned ZnO nanowire is adopted to implement active piezoelectric layer of the accelerometer and copper is chosen for the head mass. To grow ZnO nanowire on the copper head mass, hydrothermal synthesis is conducted and the effect of ZnO nanowire length on the accelerometer performance is investigated. Refresh hydrothermal synthesis can increase the length of ZnO nanowire. The performance of the fabricated ZnO accelerometers is compared with a commercial accelerometer. Sensitivity and linearity of the fabricated accelerometers are investigated.

Self-catalyzed GaAs nanowires on silicon by hydride vapor phase epitaxy.

PubMed

Dong, Zhenning; André, Yamina; Dubrovskii, Vladimir G; Bougerol, Catherine; Leroux, Christine; Ramdani, Mohammed R; Monier, Guillaume; Trassoudaine, Agnès; Castelluci, Dominique; Gil, Evelyne

2017-03-24

Gold-free GaAs nanowires on silicon substrates can pave the way for monolithic integration of photonic nanodevices with silicon electronic platforms. It is extensively documented that the self-catalyzed approach works well in molecular beam epitaxy but is much more difficult to implement in vapor phase epitaxies. Here, we report the first gallium-catalyzed hydride vapor phase epitaxy growth of long (more than 10 μm) GaAs nanowires on Si(111) substrates with a high integrated growth rate up to 60 μm h -1 and pure zincblende crystal structure. The growth is achieved by combining a low temperature of 600 °C with high gaseous GaCl/As flow ratios to enable dechlorination and formation of gallium droplets. GaAs nanowires exhibit an interesting bottle-like shape with strongly tapered bases, followed by straight tops with radii as small as 5 nm. We present a model that explains the peculiar growth mechanism in which the gallium droplets nucleate and rapidly swell on the silicon surface but then are gradually consumed to reach a stationary size. Our results unravel the necessary conditions for obtaining gallium-catalyzed GaAs nanowires by vapor phase epitaxy techniques.

Structural modulation of nanowire interfaces grown over selectively disrupted single crystal surfaces

NASA Astrophysics Data System (ADS)

Garratt, E.; Nikoobakht, B.

2015-08-01

Recent breakthroughs in deterministic approaches to the fabrication of nanowire arrays have demonstrated the possibility of fabricating such networks using low-cost scalable methods. In this regard, we have developed a scalable growth platform for lateral fabrication of nanocrystals with high precision utilizing lattice match and symmetry. Using this planar architecture, a number of homo- and heterostructures have been demonstrated including ZnO nanowires grown over GaN. The latter combination produces horizontal, epitaxially formed crystals aligned in the plane of the substrate containing a very low number of intrinsic defects. We use such ordered structures as model systems in the interests of gauging the interfacial structural dynamics in relation to external stimuli. Nanosecond pulses of focused ion beams are used to slightly modify the substrate surface and selectively form lattice disorders in the path of nanowire growth to examine the nanocrystal, namely: its directionality and lattice defects. High resolution electron microscopies are used to reveal some interesting structural effects; for instance, a minimum threshold of surface defects that can divert nanowires. We also discuss data indicating formation of surface strains and show their mitigation during the growth process.

Microbial nanowires and methods of making and using

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reguera, Gemma; Cologgi, Dena; Worden, Robert Mark

Electrically conductive nanowires, and genetically or chemically modified production and use of such nanowires with altered conductive, adhesive, coupling or other properties are described. The disclosed nanowires are used as device or device components or may be adapted for soluble metal remediation.

Catalyst-free, III-V nanowire photovoltaics

NASA Astrophysics Data System (ADS)

Davies, D. G.; Lambert, N.; Fry, P. W.; Foster, A.; Krysa, A. B.; Wilson, L. R.

2014-05-01

We report on room temperature, photovoltaic operation of catalyst-free GaAs p-i-n junction nanowire arrays. Growth studies were first performed to determine the optimum conditions for controlling the vertical and lateral growth of the nanowires. Following this, devices consisting of axial p-i-n junctions were fabricated by planarising the nanowire arrays with a hard baked polymer. We discuss the photovoltaic properties of this proof-of-concept device, and significant improvements to be made during the growth.

Au-Assisted Substrate-Faceting for Inclined Nanowire Growth.

PubMed

Kang, Jung-Hyun; Krizek, Filip; Zaluska-Kotur, Magdalena; Krogstrup, Peter; Kacman, Perla; Beidenkopf, Haim; Shtrikman, Hadas

2018-06-12

We study the role of gold droplets in the initial stage of nanowire growth via the vapor-liquid-solid method. Apart from serving as a collections center for growth species, the gold droplets carry an additional crucial role that necessarily precedes the nanowire emergence, that is, they assist the nucleation of nanocraters with strongly faceted {111}B side walls. Only once these facets become sufficiently large and regular, the gold droplets start nucleating and guiding the growth of nanowires. We show that this dual role of the gold droplets can be detected and monitored by high-energy electron diffraction during growth. Moreover, gold-induced formation of craters and the onset of nanowires growth on the {111}B facets inside the craters are confirmed by the results of Monte Carlo simulations. The detailed insight into the growth mechanism of inclined nanowires will help to engineer new and complex nanowire-based device architectures.

Atomistic simulations of contact area and conductance at nanoscale interfaces.

PubMed

Hu, Xiaoli; Martini, Ashlie

2017-11-09

Atomistic simulations were used to study conductance across the interface between a nanoscale gold probe and a graphite surface with a step edge. Conductance on the graphite terrace was observed to increase with load and be approximately proportional to contact area calculated from the positions of atoms in the interface. The relationship between area and conductance was further explored by varying the position of the contact relative to the location of the graphite step edge. These simulations reproduced a previously-reported current dip at step edges measured experimentally and the trend was explained by changes in both contact area and the distribution of distances between atoms in the interface. The novel approach reported here provides a foundation for future studies of the fundamental relationships between conductance, load and surface topography at the atomic scale.

From atomistic interfaces to dendritic patterns

NASA Astrophysics Data System (ADS)

Galenko, P. K.; Alexandrov, D. V.

2018-01-01

Transport processes around phase interfaces, together with thermodynamic properties and kinetic phenomena, control the formation of dendritic patterns. Using the thermodynamic and kinetic data of phase interfaces obtained on the atomic scale, one can analyse the formation of a single dendrite and the growth of a dendritic ensemble. This is the result of recent progress in theoretical methods and computational algorithms calculated using powerful computer clusters. Great benefits can be attained from the development of micro-, meso- and macro-levels of analysis when investigating the dynamics of interfaces, interpreting experimental data and designing the macrostructure of samples. The review and research articles in this theme issue cover the spectrum of scales (from nano- to macro-length scales) in order to exhibit recently developing trends in the theoretical analysis and computational modelling of dendrite pattern formation. Atomistic modelling, the flow effect on interface dynamics, the transition from diffusion-limited to thermally controlled growth existing at a considerable driving force, two-phase (mushy) layer formation, the growth of eutectic dendrites, the formation of a secondary dendritic network due to coalescence, computational methods, including boundary integral and phase-field methods, and experimental tests for theoretical models-all these themes are highlighted in the present issue. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Synthesis of nanostructures in nanowires using sequential catalyst reactions

PubMed Central

Panciera, F.; Chou, Y.-C.; Reuter, M.C.; Zakharov, D.; Stach, E.A.; Hofmann, S.; Ross, F.M.

2016-01-01

Nanowire growth by the vapor-liquid-solid process enables a high level of control over nanowire composition, diameter, growth direction, branching and kinking, periodic twinning, and crystal structure. The tremendous impact of VLS-grown nanowires is due to this structural versatility, generating applications ranging from solid state lighting and single photon sources to thermoelectric devices. Here we show that the morphology of these nanostructures can be further tailored by using the liquid droplets that catalyze nanowire growth as a “mixing bowl”, in which growth materials are sequentially supplied to nucleate new phases. Growing within the liquid, these phases adopt the shape of faceted nanocrystals that are then incorporated into the nanowires by further growth. We demonstrate this concept by epitaxially incorporating metal silicide nanocrystals into Si nanowires with defect-free interfaces, and discuss how this process can be generalized to create complex nanowire-based heterostructures. PMID:26168344

Direct electrodeposition of porous gold nanowire arrays for biosensing applications.

PubMed

Zhang, Xinyi; Li, Dan; Bourgeois, Laure; Wang, Huanting; Webley, Paul A

2009-02-02

Nanochannel alumina templates are used as templates for fabrication of porous gold nanowire arrays by a direct electrodeposition method. After modification with glucose oxidase, a porous gold nanowire-array electrode is shown to be an excellent electrochemical biosensor for the detection of glucose. The picture shows an SEM image of a nanowire array after removal of the alumina template by acid dissolution. We report the fabrication of porous gold nanowire arrays by means of a one-step electrodeposition method utilizing nanochannel alumina templates. The microstructure of gold nanowires depends strongly on the current density. The formation of porous gold nanowires is attributed to disperse crystallization under conditions of low nucleation rate. Interfacial electron transport through the porous gold nanowires is studied by electrochemical impedance spectroscopy. Cyclic voltammetric studies on the porous gold nanowire arrays reveal a low-potential electrocatalytic response towards hydrogen peroxide. The properties of the glucose oxidase modified porous gold nanowire array electrode are elucidated and compared with those of nonporous enzyme electrodes. The glucose oxidase modified porous gold nanowire-array electrode is shown to be an excellent electrochemical biosensor for the detection of glucose.

Ultrahigh-Density Nanowire Arrays Grown in Self-Assembled Diblock Copolymer Templates

NASA Astrophysics Data System (ADS)

Thurn-Albrecht, T.; Schotter, J.; Kästle, G. A.; Emley, N.; Shibauchi, T.; Krusin-Elbaum, L.; Guarini, K.; Black, C. T.; Tuominen, M. T.; Russell, T. P.

2000-12-01

We show a simple, robust, chemical route to the fabrication of ultrahigh-density arrays of nanopores with high aspect ratios using the equilibrium self-assembled morphology of asymmetric diblock copolymers. The dimensions and lateral density of the array are determined by segmental interactions and the copolymer molecular weight. Through direct current electrodeposition, we fabricated vertical arrays of nanowires with densities in excess of 1.9 × 1011 wires per square centimeter. We found markedly enhanced coercivities with ferromagnetic cobalt nanowires that point toward a route to ultrahigh-density storage media. The copolymer approach described is practical, parallel, compatible with current lithographic processes, and amenable to multilayered device fabrication.

Ultrahigh-density nanowire arrays grown in self-assembled diblock copolymer templates.

PubMed

Thurn-Albrecht, T; Schotter, J; Kästle, G A; Emley, N; Shibauchi, T; Krusin-Elbaum, L; Guarini, K; Black, C T; Tuominen, M T; Russell, T P

2000-12-15

We show a simple, robust, chemical route to the fabrication of ultrahigh-density arrays of nanopores with high aspect ratios using the equilibrium self-assembled morphology of asymmetric diblock copolymers. The dimensions and lateral density of the array are determined by segmental interactions and the copolymer molecular weight. Through direct current electrodeposition, we fabricated vertical arrays of nanowires with densities in excess of 1.9 x 10(11) wires per square centimeter. We found markedly enhanced coercivities with ferromagnetic cobalt nanowires that point toward a route to ultrahigh-density storage media. The copolymer approach described is practical, parallel, compatible with current lithographic processes, and amenable to multilayered device fabrication.

Coupling of semiconductor nanowires with neurons and their interfacial structure.

PubMed

Lee, Ki-Young; Shim, Sojung; Kim, Il-Soo; Oh, Hwangyou; Kim, Sunoh; Ahn, Jae-Pyeong; Park, Seung-Han; Rhim, Hyewhon; Choi, Heon-Jin

2009-12-04

We report on the compatibility of various nanowires with hippocampal neurons and the structural study of the neuron-nanowire interface. Si, Ge, SiGe, and GaN nanowires are compatible with hippocampal neurons due to their native oxide, but ZnO nanowires are toxic to neuron due to a release of Zn ion. The interfaces of fixed Si nanowire and hippocampal neuron, cross-sectional samples, were prepared by focused ion beam and observed by transmission electron microscopy. The results showed that the processes of neuron were adhered well on the nanowire without cleft.

Atomistic modeling of BN nanofillers for mechanical and thermal properties: a review.

PubMed

Kumar, Rajesh; Parashar, Avinash

2016-01-07

Due to their exceptional mechanical properties, thermal conductivity and a wide band gap (5-6 eV), boron nitride nanotubes and nanosheets have promising applications in the field of engineering and biomedical science. Accurate modeling of failure or fracture in a nanomaterial inherently involves coupling of atomic domains of cracks and voids as well as a deformation mechanism originating from grain boundaries. This review highlights the recent progress made in the atomistic modeling of boron nitride nanofillers. Continuous improvements in computational power have made it possible to study the structural properties of these nanofillers at the atomistic scale.

Conducting Polyaniline Nanowire and Its Applications in Chemiresistive Sensing

PubMed Central

Song, Edward; Choi, Jin-Woo

2013-01-01

One dimensional polyaniline nanowire is an electrically conducting polymer that can be used as an active layer for sensors whose conductivity change can be used to detect chemical or biological species. In this review, the basic properties of polyaniline nanowires including chemical structures, redox chemistry, and method of synthesis are discussed. A comprehensive literature survey on chemiresistive/conductometric sensors based on polyaniline nanowires is presented and recent developments in polyaniline nanowire-based sensors are summarized. Finally, the current limitations and the future prospect of polyaniline nanowires are discussed. PMID:28348347

Superconducting nanowires as nonlinear inductive elements for qubits

NASA Astrophysics Data System (ADS)

Ku, Jaseung; Manucharyan, Vladimir; Bezryadin, Alexey

2010-10-01

We report microwave transmission measurements of superconducting Fabry-Perot resonators, having a superconducting nanowire placed at a supercurrent antinode. As the plasma oscillation is excited, the supercurrent is forced to flow through the nanowire. The microwave transmission of the resonator-nanowire device shows a nonlinear resonance behavior, significantly dependent on the amplitude of the supercurrent oscillation. We show that such amplitude-dependent response is due to the nonlinearity of the current-phase relationship of the nanowire. The results are explained within a nonlinear oscillator model of the Duffing oscillator, in which the nanowire acts as a purely inductive element, in the limit of low temperatures and low amplitudes. The low-quality factor sample exhibits a “crater” at the resonance peak at higher driving power, which is due to dissipation. We observe a hysteretic bifurcation behavior of the transmission response to frequency sweep in a sample with a higher quality factor. The Duffing model is used to explain the Duffing bistability diagram. We also propose a concept of a nanowire-based qubit that relies on the current dependence of the kinetic inductance of a superconducting nanowire.

Aluminum nitride nanowire light emitting diodes: Breaking the fundamental bottleneck of deep ultraviolet light sources

PubMed Central

Zhao, S.; Connie, A. T.; Dastjerdi, M. H. T.; Kong, X. H.; Wang, Q.; Djavid, M.; Sadaf, S.; Liu, X. D.; Shih, I.; Guo, H.; Mi, Z.

2015-01-01

Despite broad interest in aluminum gallium nitride (AlGaN) optoelectronic devices for deep ultraviolet (DUV) applications, the performance of conventional Al(Ga)N planar devices drastically decays when approaching the AlN end, including low internal quantum efficiencies (IQEs) and high device operation voltages. Here we show that these challenges can be addressed by utilizing nitrogen (N) polar Al(Ga)N nanowires grown directly on Si substrate. By carefully tuning the synthesis conditions, a record IQE of 80% can be realized with N-polar AlN nanowires, which is nearly ten times higher compared to high quality planar AlN. The first 210 nm emitting AlN nanowire light emitting diodes (LEDs) were achieved, with a turn on voltage of about 6 V, which is significantly lower than the commonly observed 20 – 40 V. This can be ascribed to both efficient Mg doping by controlling the nanowire growth rate and N-polarity induced internal electrical field that favors hole injection. In the end, high performance N-polar AlGaN nanowire LEDs with emission wavelengths covering the UV-B/C bands were also demonstrated. PMID:25684335

Ultrathin Uniform Platinum Nanowires via a Facile Route Using an Inverse Hexagonal Surfactant Phase Template.

PubMed

Akbar, Samina; Boswell, Jacob; Worsley, Carys; Elliott, Joanne M; Squires, Adam M

2018-06-19

We present an attractive method for the fabrication of long, straight, highly crystalline, ultrathin platinum nanowires. The fabrication is simply achieved using an inverse hexagonal (H II ) lyotropic liquid crystal phase of the commercial surfactant phytantriol as a template. A platinum precursor dissolved within the cylindrical aqueous channels of the liquid crystal phase is chemically reduced by galvanic displacement using stainless steel. We demonstrate the production of nanowires using the H II phase in the phytantriol/water system which we obtain either by heating to 55 °C or at room temperature by the addition of a hydrophobic liquid, 9- cis-tricosene, to relieve packing frustration. The two sets of conditions produced high aspect nanowires with diameters of 2.5 and 1.7 nm, respectively, at least hundreds of nanometers in length, matching the size of the aqueous channels in which they grow. This versatile approach can be extended to produce highly uniform nanowires from a range of metals.

Improving emission uniformity and linearizing band dispersion in nanowire arrays using quasi-aperiodicity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, P. Duke; Koleske, Daniel D.; Povinelli, Michelle L.

For this study, we experimentally investigate a new class of quasi-aperiodic structures for improving the emission pattern in nanowire arrays. Efficient normal emission, as well as lasing, can be obtained from III-nitride photonic crystal (PhC) nanowire arrays that utilize slow group velocity modes near the Γ-point in reciprocal space. However, due to symmetry considerations, the emitted far-field pattern of such modes are often ‘donut’-like. Many applications, including lighting for displays or lasers, require a more uniform beam profile in the far-field. Previous work has improved far-field beam uniformity of uncoupled modes by changing the shape of the emitting structure. However,more » in nanowire systems, the shape of nanowires cannot always be arbitrarily changed due to growth or etch considerations. Here, we investigate breaking symmetry by instead changing the position of emitters. Using a quasi-aperiodic geometry, which changes the emitter position within a photonic crystal supercell (2x2), we are able to linearize the photonic bandstructure near the Γ-point and greatly improve emitted far-field uniformity. We realize the III-nitride nanowires structures using a top-down fabrication procedure that produces nanowires with smooth, vertical sidewalls. Comparison of room-temperature micro-photoluminescence (µ-PL) measurements between periodic and quasi-aperiodic nanowire arrays reveal resonances in each structure, with the simple periodic structure producing a donut beam in the emitted far-field and the quasi-aperiodic structure producing a uniform Gaussian-like beam. We investigate the input pump power vs. output intensity in both systems and observe the simple periodic array exhibiting a non-linear relationship, indicative of lasing. We believe that the quasi-aperiodic approach studied here provides an alternate and promising strategy for shaping the emission pattern of nanoemitter systems.« less

Modal analysis of the thermal conductivity of nanowires: examining unique thermal transport features

NASA Astrophysics Data System (ADS)

Samaraweera, Nalaka; Larkin, Jason M.; Chan, Kin L.; Mithraratne, Kumar

2018-06-01

In this study, unique thermal transport features of nanowires over bulk materials are investigated using a combined analysis based on lattice dynamics and equilibrium molecular dynamics (EMD). The evaluation of the thermal conductivity (TC) of Lenard–Jones nanowires becomes feasible due to the multi-step normal mode decomposition (NMD) procedure implemented in the study. A convergence issue of the TC of nanowires is addressed by the NMD implementation for two case studies, which employ pristine nanowires (PNW) and superlattice nanowires. Interestingly, mode relaxation times at low frequencies of acoustic branches exhibit signs of approaching constant values, thus indicating the convergence of TC. The TC evaluation procedure is further verified by implementing EMD-based Green–Kubo analysis, which is based on a fundamentally different physical perspective. Having verified the NMD procedure, the non-monotonic trend of the TC of nanowires is addressed. It is shown that the principal cause for the observed trend is due to the competing effects of long wavelength phonons and phonon–surface scatterings as the nanowire’s cross-sectional width is changed. A computational procedure is developed to decompose the different modal contribution to the TC of shell alloy nanowires (SANWs) using virtual crystal NMD and the Allen–Feldman theory. Several important conclusions can be drawn from the results. A propagons to non-propagons boundary appeared, resulting in a cut-off frequency (ω cut); moreover, as alloy atomic mass is increased, ω cut shifts to lower frequencies. The existence of non-propagons partly causes the low TC of SANWs. It can be seen that modes with low frequencies demonstrate a similar behavior to corresponding modes of PNWs. Moreover, lower group velocities associated with higher alloy atomic mass resulted in a lower TC of SANWs.

Highly Efficient SERS Nanowire/Ag Composites

DTIC Science & Technology

2007-01-01

Ga2O3 nanowires was performed by the vapor- liquid-solid (VLS) growth in a tube furnace, using Si(100) and Si(111) substrates and a 20 nm Au film3. Ga...Rhodamine 6G/methanol and DNT/methanol dilutions. The Ga2O3 /Ag nanowire composite substrates are shown in Figure 1a. As can be seen, they consist of a...significant improvement over nanosphere-type SERS substrates. Conclusion: Randomly oriented Ga2O3 /Ag nanowire networks have been formed and we

Cascade Defect Evolution Processes: Comparison of Atomistic Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Haixuan; Stoller, Roger E; Osetskiy, Yury N

2013-11-01

Determining the defect evolution beyond the molecular dynamics (MD) time scale is critical in bridging the gap between atomistic simulations and experiments. The recently developed self-evolving atomistic kinetic Monte Carlo (SEAKMC) method provides new opportunities to simulate long-term defect evolution with MD-like fidelity. In this study, SEAKMC is applied to investigate the cascade defect evolution in bcc iron. First, the evolution of a vacancy rich region is simulated and compared with results obtained using autonomous basin climbing (ABC) +KMC and kinetic activation-relaxation technique (kART) simulations. Previously, it is found the results from kART are orders of magnitude faster than ABC+KMC.more » The results obtained from SEAKMC are similar to kART but the time predicted is about one order of magnitude faster than kART. The fidelity of SEAKMC is confirmed by statistically relevant MD simulations at multiple higher temperatures, which proves that the saddle point sampling is close to complete in SEAKMC. The second is the irradiation-induced formation of C15 Laves phase nano-size defect clusters. In contrast to previous studies, which claim the defects can grow by capturing self-interstitials, we found these highly stable clusters can transform to <111> glissile configuration on a much longer time scale. Finally, cascade-annealing simulations using SEAKMC is compared with traditional object KMC (OKMC) method. SEAKMC predicts substantially fewer surviving defects compared with OKMC. The possible origin of this difference is discussed and a possible way to improve the accuracy of OKMC based on SEAKMC results is outlined. These studies demonstrate the atomistic fidelity of SEAKMC in comparison with other on-the-fly KMC methods and provide new information on long-term defect evolution in iron.« less

Copper Nanowires as Fully Transparent Conductive Electrodes

PubMed Central

Guo, Huizhang; Lin, Na; Chen, Yuanzhi; Wang, Zhenwei; Xie, Qingshui; Zheng, Tongchang; Gao, Na; Li, Shuping; Kang, Junyong; Cai, Duanjun; Peng, Dong-Liang

2013-01-01

In pondering of new promising transparent conductors to replace the cost rising tin-doped indium oxide (ITO), metal nanowires have been widely concerned. Herein, we demonstrate an approach for successful synthesis of long and fine Cu nanowires (NWs) through a novel catalytic scheme involving nickel ions. Such Cu NWs in high aspect ratio (diameter of 16.2 ± 2 nm and length up to 40 μm) provide long distance for electron transport and, meanwhile, large space for light transmission. Transparent electrodes fabricated using the Cu NW ink achieve a low sheet resistance of 1.4 Ohm/sq at 14% transmittance and a high transparency of 93.1% at 51.5 Ohm/sq. The flexibility and stability were tested with 100-timebending by 180°and no resistance change occurred. Ohmic contact was achieved to the p- and n-GaN on blue light emitting diode chip and bright electroluminescence from the front face confirmed the excellent transparency. PMID:23900572

Radiation Effects in III-V Nanowire Devices

DTIC Science & Technology

2016-09-01

Nanowire Devices Distribution Statement A. Approved for public release; distribution is unlimited. September 2016 HDTRA1-11-1-0021 Steven R...Name: Prof. S. R. J. Brueck Organization/Institution: University of New Mexico Project Title: Radiation Effects in III-V Nanowire Devices What are...the agency approved application or plan. The objectives of this program were to: a) develop a new nanowire transistor technology based on nanoscale

Morphology and Doping Engineering of Sn-Doped Hematite Nanowire Photoanodes.

PubMed

Li, Mingyang; Yang, Yi; Ling, Yichuan; Qiu, Weitao; Wang, Fuxin; Liu, Tianyu; Song, Yu; Liu, Xiaoxia; Fang, Pingping; Tong, Yexiang; Li, Yat

2017-04-12

High-temperature activation has been commonly used to boost the photoelectrochemical (PEC) performance of hematite nanowires for water oxidation, by inducing Sn diffusion from fluorine-doped tin oxide (FTO) substrate into hematite. Yet, hematite nanowires thermally annealed at high temperature suffer from two major drawbacks that negatively affect their performance. First, the structural deformation reduces light absorption capability of nanowire. Second, this "passive" doping method leads to nonuniform distribution of Sn dopant in nanowire and limits the Sn doping concentration. Both factors impair the electrochemical properties of hematite nanowire. Here we demonstrate a silica encapsulation method that is able to simultaneously retain the hematite nanowire morphology even after high-temperature calcination at 800 °C and improve the concentration and uniformity of dopant distribution along the nanowire growth axis. The capability of retaining nanowire morphology allows tuning the nanowire length for optimal light absorption. Uniform distribution of Sn doping enhances the donor density and charge transport of hematite nanowire. The morphology and doping engineered hematite nanowire photoanode decorated with a cobalt oxide-based oxygen evolution reaction (OER) catalyst achieves an outstanding photocurrent density of 2.2 mA cm -2 at 0.23 V vs Ag/AgCl. This work provides important insights on how the morphology and doping uniformity of hematite photoanodes affect their PEC performance.

A superconducting nanowire can be modeled by using SPICE

NASA Astrophysics Data System (ADS)

Berggren, Karl K.; Zhao, Qing-Yuan; Abebe, Nathnael; Chen, Minjie; Ravindran, Prasana; McCaughan, Adam; Bardin, Joseph C.

2018-05-01

Modeling of superconducting nanowire single-photon detectors typically requires custom simulations or finite-element analysis in one or two dimensions. Here, we demonstrate two simplified one-dimensional SPICE models of a superconducting nanowire that can quickly and efficiently describe the electrical characteristics of a superconducting nanowire. These models may be of particular use in understanding alternative architectures for nanowire detectors and readouts.

A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems

NASA Astrophysics Data System (ADS)

Farrell, Kathryn; Oden, J. Tinsley; Faghihi, Danial

2015-08-01

A general adaptive modeling algorithm for selection and validation of coarse-grained models of atomistic systems is presented. A Bayesian framework is developed to address uncertainties in parameters, data, and model selection. Algorithms for computing output sensitivities to parameter variances, model evidence and posterior model plausibilities for given data, and for computing what are referred to as Occam Categories in reference to a rough measure of model simplicity, make up components of the overall approach. Computational results are provided for representative applications.

Dopant radial inhomogeneity in Mg-doped GaN nanowires.

PubMed

Siladie, Alexandra-Madalina; Amichi, Lynda; Mollard, Nicolas; Mouton, Isabelle; Bonef, Bastien; Bougerol, Catherine; Grenier, Adeline; Robin, Eric; Jouneau, Pierre-Henri; Garro, Nuria; Cros, Ana; Daudin, Bruno

2018-06-22

Using atom probe tomography, it is demonstrated that Mg doping of GaN nanowires grown by Molecular Beam Epitaxy results in a marked radial inhomogeneity, namely a higher Mg content in the periphery of the nanowires. This spatial inhomogeneity is attributed to a preferential incorporation of Mg through the m-plane sidewalls of nanowires and is related to the formation of a Mg-rich surface which is stabilized by hydrogen. This is further supported by Raman spectroscopy experiments which give evidence of Mg-H complexes in the doped nanowires. A Mg doping mechanism such as this, specific to nanowires, may lead to higher levels of Mg doping than in layers, boosting the potential interest of nanowires for light emitting diode applications.

Capping of rare earth silicide nanowires on Si(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Appelfeller, Stephan; Franz, Martin; Kubicki, Milan

The capping of Tb and Dy silicide nanowires grown on Si(001) was studied using scanning tunneling microscopy and cross-sectional high-resolution transmission electron microscopy. Several nanometers thick amorphous Si films deposited at room temperature allow an even capping, while the nanowires maintain their original structural properties. Subsequent recrystallization by thermal annealing leads to more compact nanowire structures and to troughs in the Si layer above the nanowires, which may even reach down to the nanowires in the case of thin Si films, as well as to V-shaped stacking faults forming along (111) lattice planes. This behavior is related to strain duemore » to the lattice mismatch between the Si overlayer and the nanowires.« less

Dopant radial inhomogeneity in Mg-doped GaN nanowires

NASA Astrophysics Data System (ADS)

Siladie, Alexandra-Madalina; Amichi, Lynda; Mollard, Nicolas; Mouton, Isabelle; Bonef, Bastien; Bougerol, Catherine; Grenier, Adeline; Robin, Eric; Jouneau, Pierre-Henri; Garro, Nuria; Cros, Ana; Daudin, Bruno

2018-06-01

Using atom probe tomography, it is demonstrated that Mg doping of GaN nanowires grown by Molecular Beam Epitaxy results in a marked radial inhomogeneity, namely a higher Mg content in the periphery of the nanowires. This spatial inhomogeneity is attributed to a preferential incorporation of Mg through the m-plane sidewalls of nanowires and is related to the formation of a Mg-rich surface which is stabilized by hydrogen. This is further supported by Raman spectroscopy experiments which give evidence of Mg-H complexes in the doped nanowires. A Mg doping mechanism such as this, specific to nanowires, may lead to higher levels of Mg doping than in layers, boosting the potential interest of nanowires for light emitting diode applications.

Synthesis of nanostructures in nanowires using sequential catalyst reactions

DOE PAGES

Panciera, F.; Chou, Y. -C.; Reuter, M. C.; ...

2015-07-13

Nanowire growth by the vapour–liquid–solid (VLS) process enables a high level of control over nanowire composition, diameter, growth direction, branching and kinking, periodic twinning, and crystal structure. The tremendous impact of VLS-grown nanowires is due to this structural versatility, generating applications ranging from solid-state lighting and single-photon sources to thermoelectric devices. Here, we show that the morphology of these nanostructures can be further tailored by using the liquid droplets that catalyse nanowire growth as a ‘mixing bowl’, in which growth materials are sequentially supplied to nucleate new phases. Growing within the liquid, these phases adopt the shape of faceted nanocrystalsmore » that are then incorporated into the nanowires by further growth. Furthermore, we demonstrate this concept by epitaxially incorporating metal-silicide nanocrystals into Si nanowires with defect-free interfaces, and discuss how this process can be generalized to create complex nanowire-based heterostructures.« less

Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires

NASA Astrophysics Data System (ADS)

Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun

2011-11-01

Organic nanowires of 9,10-dibromoanthracene (DBA) and 9,10-dicyanoanthracene (DCNA) were obtained by adding the THF solution of DBA/DCNA into water containing P123 surfactants. The as-prepared nanowires were characterized by UV-vis, fluorescence spectra, Field Emission Scanning Electron Microscopy (FESEM), and Transmission Electron Microscopy (TEM). We found that DBA and DCNA nanowires emitted green light rather than blue light for molecules in THF solution. The red-shift UV and fluorescent spectra of DBA and DCNA nanowires implied that these nanowires were formed through J-aggregation. The photoconducting study of DBA/DCNA nanowire-based network on rGO/SiO2/Si shows different photocurrent behaviors upon irradiation, which displayed that electron transfer from DCNA nanowire to rGO was stronger than that of DBA nanowires to rGO.Organic nanowires of 9,10-dibromoanthracene (DBA) and 9,10-dicyanoanthracene (DCNA) were obtained by adding the THF solution of DBA/DCNA into water containing P123 surfactants. The as-prepared nanowires were characterized by UV-vis, fluorescence spectra, Field Emission Scanning Electron Microscopy (FESEM), and Transmission Electron Microscopy (TEM). We found that DBA and DCNA nanowires emitted green light rather than blue light for molecules in THF solution. The red-shift UV and fluorescent spectra of DBA and DCNA nanowires implied that these nanowires were formed through J-aggregation. The photoconducting study of DBA/DCNA nanowire-based network on rGO/SiO2/Si shows different photocurrent behaviors upon irradiation, which displayed that electron transfer from DCNA nanowire to rGO was stronger than that of DBA nanowires to rGO. Electronic supplementary information (ESI) available: XRD patterns and simulations, and FT-IR spectra. CCDC reference numbers 840471. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c1nr10655d

Ferromagnetism and semiconducting of boron nanowires

PubMed Central

2012-01-01

More recently, motivated by extensively technical applications of carbon nanostructures, there is a growing interest in exploring novel non-carbon nanostructures. As the nearest neighbor of carbon in the periodic table, boron has exceptional properties of low volatility and high melting point and is stronger than steel, harder than corundum, and lighter than aluminum. Boron nanostructures thus are expected to have broad applications in various circumstances. In this contribution, we have performed a systematical study of the stability and electronic and magnetic properties of boron nanowires using the spin-polarized density functional calculations. Our calculations have revealed that there are six stable configurations of boron nanowires obtained by growing along different base vectors from the unit cell of the bulk α-rhombohedral boron (α-B) and β-rhombohedral boron (β-B). Well known, the boron bulk is usually metallic without magnetism. However, theoretical results about the magnetic and electronic properties showed that, whether for the α-B-based or the β-B-based nanowires, their magnetism is dependent on the growing direction. When the boron nanowires grow along the base vector [001], they exhibit ferromagnetism and have the magnetic moments of 1.98 and 2.62 μB, respectively, for the α-c [001] and β-c [001] directions. Electronically, when the boron nanowire grows along the α-c [001] direction, it shows semiconducting and has the direct bandgap of 0.19 eV. These results showed that boron nanowires possess the unique direction dependence of the magnetic and semiconducting behaviors, which are distinctly different from that of the bulk boron. Therefore, these theoretical findings would bring boron nanowires to have many promising applications that are novel for the boron bulk. PMID:23244063

Additional compound semiconductor nanowires for photonics

NASA Astrophysics Data System (ADS)

Ishikawa, F.

2016-02-01

GaAs related compound semiconductor heterostructures are one of the most developed materials for photonics. Those have realized various photonic devices with high efficiency, e. g., lasers, electro-optical modulators, and solar cells. To extend the functions of the materials system, diluted nitride and bismide has been paid attention over the past decade. They can largely decrease the band gap of the alloys, providing the greater tunability of band gap and strain status, eventually suppressing the non-radiative Auger recombinations. On the other hand, selective oxidation for AlGaAs is a vital technique for vertical surface emitting lasers. That enables precisely controlled oxides in the system, enabling the optical and electrical confinement, heat transfer, and mechanical robustness. We introduce the above functions into GaAs nanowires. GaAs/GaAsN core-shell nanowires showed clear redshift of the emitting wavelength toward infrared regime. Further, the introduction of N elongated the carrier lifetime at room temperature indicating the passivation of non-radiative surface recombinations. GaAs/GaAsBi nanowire shows the redshift with metamorphic surface morphology. Selective and whole oxidations of GaAs/AlGaAs core-shell nanowires produce semiconductor/oxide composite GaAs/AlGaOx and oxide GaOx/AlGaOx core-shell nanowires, respectively. Possibly sourced from nano-particle species, the oxide shell shows white luminescence. Those property should extend the functions of the nanowires for their application to photonics.

Bridging the Gap between the Nanometer-Scale Bottom-Up and Micrometer-Scale Top-Down Approaches for Site-Defined InP/InAs Nanowires.

PubMed

Zhang, Guoqiang; Rainville, Christophe; Salmon, Adrian; Takiguchi, Masato; Tateno, Kouta; Gotoh, Hideki

2015-11-24

This work presents a method that bridges the gap between the nanometer-scale bottom-up and micrometer-scale top-down approaches for site-defined nanostructures, which has long been a significant challenge for applications that require low-cost and high-throughput manufacturing processes. We realized the bridging by controlling the seed indium nanoparticle position through a self-assembly process. Site-defined InP nanowires were then grown from the indium-nanoparticle array in the vapor-liquid-solid mode through a "seed and grow" process. The nanometer-scale indium particles do not always occupy the same locations within the micrometer-scale open window of an InP exposed substrate due to the scale difference. We developed a technique for aligning the nanometer-scale indium particles on the same side of the micrometer-scale window by structuring the surface of a misoriented InP (111)B substrate. Finally, we demonstrated that the developed method can be used to grow a uniform InP/InAs axial-heterostructure nanowire array. The ability to form a heterostructure nanowire array with this method makes it possible to tune the emission wavelength over a wide range by employing the quantum confinement effect and thus expand the application of this technology to optoelectronic devices. Successfully pairing a controllable bottom-up growth technique with a top-down substrate preparation technique greatly improves the potential for the mass-production and widespread adoption of this technology.

Nano-soldering of magnetically aligned three-dimensional nanowire networks.

PubMed

Gao, Fan; Gu, Zhiyong

2010-03-19

It is extremely challenging to fabricate 3D integrated nanostructures and hybrid nanoelectronic devices. In this paper, we report a simple and efficient method to simultaneously assemble and solder nanowires into ordered 3D and electrically conductive nanowire networks. Nano-solders such as tin were fabricated onto both ends of multi-segmented nanowires by a template-assisted electrodeposition method. These nanowires were then self-assembled and soldered into large-scale 3D network structures by magnetic field assisted assembly in a liquid medium with a high boiling point. The formation of junctions/interconnects between the nanowires and the scale of the assembly were dependent on the solder reflow temperature and the strength of the magnetic field. The size of the assembled nanowire networks ranged from tens of microns to millimeters. The electrical characteristics of the 3D nanowire networks were measured by regular current-voltage (I-V) measurements using a probe station with micropositioners. Nano-solders, when combined with assembling techniques, can be used to efficiently connect and join nanowires with low contact resistance, which are very well suited for sensor integration as well as nanoelectronic device fabrication.

Permanent bending and alignment of ZnO nanowires.

PubMed

Borschel, Christian; Spindler, Susann; Lerose, Damiana; Bochmann, Arne; Christiansen, Silke H; Nietzsche, Sandor; Oertel, Michael; Ronning, Carsten

2011-05-06

Ion beams can be used to permanently bend and re-align nanowires after growth. We have irradiated ZnO nanowires with energetic ions, achieving bending and alignment in different directions. Not only the bending of single nanowires is studied in detail, but also the simultaneous alignment of large ensembles of ZnO nanowires. Computer simulations reveal how the bending is initiated by ion beam induced damage. Detailed structural characterization identifies dislocations to relax stresses and make the bending and alignment permanent, even surviving annealing procedures.

Temperature dependent growth of GaN nanowires using CVD technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Mukesh, E-mail: mukeshjihrnp@gmail.com; Singh, R.; Kumar, Vikram

2016-05-23

Growth of GaN nanowires have been carried out on sapphire substrates with Au as a catalyst using chemical vapour deposition technique. GaN nanowires growth have been studied with the experimental parameter as growth temperature. Diameter of grown GaN nanowires are in the range of 50 nm to 100 nm while the nanowire length depends on growth temperature. Morphology of the GaN nanowires have been studied by scanning electron microscopy. Crystalline nature has been observed by XRD patterns. Optical properties of grown GaN nanowires have been investigated by photoluminescence spectra.

Biotemplated synthesis of PZT nanowires.

PubMed

Cung, Kellye; Han, Booyeon J; Nguyen, Thanh D; Mao, Sheng; Yeh, Yao-Wen; Xu, Shiyou; Naik, Rajesh R; Poirier, Gerald; Yao, Nan; Purohit, Prashant K; McAlpine, Michael C

2013-01-01

Piezoelectric nanowires are an important class of smart materials for next-generation applications including energy harvesting, robotic actuation, and bioMEMS. Lead zirconate titanate (PZT), in particular, has attracted significant attention, owing to its superior electromechanical conversion performance. Yet, the ability to synthesize crystalline PZT nanowires with well-controlled properties remains a challenge. Applications of common nanosynthesis methods to PZT are hampered by issues such as slow kinetics, lack of suitable catalysts, and harsh reaction conditions. Here we report a versatile biomimetic method, in which biotemplates are used to define PZT nanostructures, allowing for rational control over composition and crystallinity. Specifically, stoichiometric PZT nanowires were synthesized using both polysaccharide (alginate) and bacteriophage templates. The wires possessed measured piezoelectric constants of up to 132 pm/V after poling, among the highest reported for PZT nanomaterials. Further, integrated devices can generate up to 0.820 μW/cm(2) of power. These results suggest that biotemplated piezoelectric nanowires are attractive candidates for stimuli-responsive nanosensors, adaptive nanoactuators, and nanoscale energy harvesters.

Synthesis and humidity sensing analysis of ZnS nanowires

NASA Astrophysics Data System (ADS)

Okur, Salih; Üzar, Neslihan; Tekgüzel, Nesli; Erol, Ayşe; Çetin Arıkan, M.

2012-03-01

ZnS nanowires synthesized by the vapor-liquid-solid (VLS) method and humidity sensing properties of obtained ZnS nanowires were investigated by quartz crystal microbalance (QCM) method and electrical measurements. The synthesized nanowires were exposed to relative humidity (RH) between 22% and 97% under controlled environment. Our experimental results show that ZnS nanowires have a great potential for humidity sensing applications in room temperature operations.

Manganese silicide nanowires on Si(001).

PubMed

Liu, H J; Owen, J H G; Miki, K; Renner, Ch

2011-05-04

A method for promoting the growth of manganese silicide nanowires on Si(001) at 450 °C is described. The anisotropic surface stress generated by bismuth nanolines blocks the formation of embedded structures and stabilizes the nucleation of manganese silicide islands which grow in a preferred direction, forming nanowires with a band gap of approximately 0.6 eV, matching the reported band gap of MnSi(1.7). This method may also provide a means to form silicide nanowires of other metals where they do not otherwise form. © 2011 IOP Publishing Ltd

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires.

PubMed

Yan, Jie-Yun

2018-06-13

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires is studied. Based on the excitonic theory, the numerical method to calculate the photoconductivity spectrum in the nanowires is developed, which can simulate optical pump terahertz-probe spectroscopy measurements on real nanowires and thereby calculate the typical photoconductivity spectrum. With the help of the energetic structure deduced from the calculated linear absorption spectrum, the numerically observed shift of the resonant peak in the photoconductivity spectrum is found to result from the dominant exciton transition between excited or continuum states to the ground state, and the quantitative analysis is in good agreement with the quantum plasmon model. Besides, the dependence of the photoconductivity on the polarization of the terahertz field is also discussed. The numerical method and supporting theoretical analysis provide a new tool for experimentalists to understand the terahertz photoconductivity in intrinsic semiconductor nanowires at low temperatures or for nanowires subjected to below bandgap photoexcitation, where excitonic effects dominate.

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires

NASA Astrophysics Data System (ADS)

Yan, Jie-Yun

2018-06-01

Excitonic terahertz photoconductivity in intrinsic semiconductor nanowires is studied. Based on the excitonic theory, the numerical method to calculate the photoconductivity spectrum in the nanowires is developed, which can simulate optical pump terahertz-probe spectroscopy measurements on real nanowires and thereby calculate the typical photoconductivity spectrum. With the help of the energetic structure deduced from the calculated linear absorption spectrum, the numerically observed shift of the resonant peak in the photoconductivity spectrum is found to result from the dominant exciton transition between excited or continuum states to the ground state, and the quantitative analysis is in good agreement with the quantum plasmon model. Besides, the dependence of the photoconductivity on the polarization of the terahertz field is also discussed. The numerical method and supporting theoretical analysis provide a new tool for experimentalists to understand the terahertz photoconductivity in intrinsic semiconductor nanowires at low temperatures or for nanowires subjected to below bandgap photoexcitation, where excitonic effects dominate.

Random access actuation of nanowire grid metamaterial

NASA Astrophysics Data System (ADS)

Cencillo-Abad, Pablo; Ou, Jun-Yu; Plum, Eric; Valente, João; Zheludev, Nikolay I.

2016-12-01

While metamaterials offer engineered static optical properties, future artificial media with dynamic random-access control over shape and position of meta-molecules will provide arbitrary control of light propagation. The simplest example of such a reconfigurable metamaterial is a nanowire grid metasurface with subwavelength wire spacing. Recently we demonstrated computationally that such a metadevice with individually controlled wire positions could be used as dynamic diffraction grating, beam steering module and tunable focusing element. Here we report on the nanomembrane realization of such a nanowire grid metasurface constructed from individually addressable plasmonic chevron nanowires with a 230 nm × 100 nm cross-section, which consist of gold and silicon nitride. The active structure of the metadevice consists of 15 nanowires each 18 μm long and is fabricated by a combination of electron beam lithography and ion beam milling. It is packaged as a microchip device where the nanowires can be individually actuated by control currents via differential thermal expansion.

Vertically p-n-junctioned GaN nano-wire array diode fabricated on Si(111) using MOCVD.

PubMed

Park, Ji-Hyeon; Kim, Min-Hee; Kissinger, Suthan; Lee, Cheul-Ro

2013-04-07

We demonstrate the fabrication of n-GaN:Si/p-GaN:Mg nanowire arrays on (111) silicon substrate by metal organic chemical vapor deposition (MOCVD) method .The nanowires were grown by a newly developed two-step growth process. The diameter of as-grown nanowires ranges from 300-400 nm with a density of 6-7 × 10(7) cm(-2). The p- and n-type doping of the nanowires is achieved with Mg and Si dopant species. Structural characterization by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) indicates that the nanowires are relatively defect-free. The room-temperature photoluminescence emission with a strong peak at 370 nm indicates that the n-GaN:Si/p-GaN:Mg nanowire arrays have potential application in light-emitting nanodevices. The cathodoluminscence (CL) spectrum clearly shows a distinct optical transition of GaN nanodiodes. The nano-n-GaN:Si/p-GaN:Mg diodes were further completed using a sputter coating approach to deposit Au/Ni metal contacts. The polysilazane filler has been etched by a wet chemical etching process. The n-GaN:Si/p-GaN:Mg nanowire diode was fabricated for different Mg source flow rates. The current-voltage (I-V) measurements reveal excellent rectifying properties with an obvious turn-on voltage at 1.6 V for a Mg flow rate of 5 sccm (standard cubic centimeters per minute).

Vertically p-n-junctioned GaN nano-wire array diode fabricated on Si(111) using MOCVD

NASA Astrophysics Data System (ADS)

Park, Ji-Hyeon; Kim, Min-Hee; Kissinger, Suthan; Lee, Cheul-Ro

2013-03-01

We demonstrate the fabrication of n-GaN:Si/p-GaN:Mg nanowire arrays on (111) silicon substrate by metal organic chemical vapor deposition (MOCVD) method .The nanowires were grown by a newly developed two-step growth process. The diameter of as-grown nanowires ranges from 300-400 nm with a density of 6-7 × 107 cm-2. The p- and n-type doping of the nanowires is achieved with Mg and Si dopant species. Structural characterization by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) indicates that the nanowires are relatively defect-free. The room-temperature photoluminescence emission with a strong peak at 370 nm indicates that the n-GaN:Si/p-GaN:Mg nanowire arrays have potential application in light-emitting nanodevices. The cathodoluminscence (CL) spectrum clearly shows a distinct optical transition of GaN nanodiodes. The nano-n-GaN:Si/p-GaN:Mg diodes were further completed using a sputter coating approach to deposit Au/Ni metal contacts. The polysilazane filler has been etched by a wet chemical etching process. The n-GaN:Si/p-GaN:Mg nanowire diode was fabricated for different Mg source flow rates. The current-voltage (I-V) measurements reveal excellent rectifying properties with an obvious turn-on voltage at 1.6 V for a Mg flow rate of 5 sccm (standard cubic centimeters per minute).

Contact planarization of ensemble nanowires

NASA Astrophysics Data System (ADS)

Chia, A. C. E.; LaPierre, R. R.

2011-06-01

The viability of four organic polymers (S1808, SC200, SU8 and Cyclotene) as filling materials to achieve planarization of ensemble nanowire arrays is reported. Analysis of the porosity, surface roughness and thermal stability of each filling material was performed. Sonication was used as an effective method to remove the tops of the nanowires (NWs) to achieve complete planarization. Ensemble nanowire devices were fully fabricated and I-V measurements confirmed that Cyclotene effectively planarizes the NWs while still serving the role as an insulating layer between the top and bottom contacts. These processes and analysis can be easily implemented into future characterization and fabrication of ensemble NWs for optoelectronic device applications.

Contact planarization of ensemble nanowires.

PubMed

Chia, A C E; LaPierre, R R

2011-06-17

The viability of four organic polymers (S1808, SC200, SU8 and Cyclotene) as filling materials to achieve planarization of ensemble nanowire arrays is reported. Analysis of the porosity, surface roughness and thermal stability of each filling material was performed. Sonication was used as an effective method to remove the tops of the nanowires (NWs) to achieve complete planarization. Ensemble nanowire devices were fully fabricated and I-V measurements confirmed that Cyclotene effectively planarizes the NWs while still serving the role as an insulating layer between the top and bottom contacts. These processes and analysis can be easily implemented into future characterization and fabrication of ensemble NWs for optoelectronic device applications.

InAs nanowires grown by metal-organic vapor-phase epitaxy (MOVPE) employing PS/PMMA diblock copolymer nanopatterning.

PubMed

Huang, Yinggang; Kim, Tae Wan; Xiong, Shisheng; Mawst, Luke J; Kuech, Thomas F; Nealey, Paul F; Dai, Yushuai; Wang, Zihao; Guo, Wei; Forbes, David; Hubbard, Seth M; Nesnidal, Michael

2013-01-01

Dense arrays of indium arsenide (InAs) nanowire materials have been grown by selective-area metal-organic vapor-phase epitaxy (SA-MOVPE) using polystyrene-b-poly(methyl methacrylate) (PS/PMMA) diblock copolymer (DBC) nanopatterning technique, which is a catalyst-free approach. Nanoscale openings were defined in a thin (~10 nm) SiNx layer deposited on a (111)B-oriented GaAs substrate using the DBC process and CF4 reactive ion etching (RIE), which served as a hard mask for the nanowire growth. InAs nanowires with diameters down to ~ 20 nm and micrometer-scale lengths were achieved with a density of ~ 5 × 10(10) cm(2). The nanowire structures were characterized by scanning electron microscopy and transmission electron microscopy, which indicate twin defects in a primary zincblende crystal structure and the absence of threading dislocation within the imaged regions.

Study of transmission function and electronic transport in one dimensional silver nanowire: Ab-initio method using density functional theory (DFT)

NASA Astrophysics Data System (ADS)

Thakur, Anil; Kashyap, Rajinder

2018-05-01

Single nanowire electrode devices have their application in variety of fields which vary from information technology to solar energy. Silver nanowires, made in an aqueous chemical reduction process, can be reacted with gold salt to create bimetallic nanowires. Silver nanowire can be used as electrodes in batteries and have many other applications. In this paper we investigated structural and electronic transport properties of Ag nanowire using density functional theory (DFT) with SIESTA code. Electronic transport properties of Ag nanowire have been studied theoretically. First of all an optimized geometry for Ag nanowire is obtained using DFT calculations, and then the transport relations are obtained using NEGF approach. SIESTA and TranSIESTA simulation codes are used in the calculations respectively. The electrodes are chosen to be the same as the central region where transport is studied, eliminating current quantization effects due to contacts and focusing the electronic transport study to the intrinsic structure of the material. By varying chemical potential in the electrode regions, an I-V curve is traced which is in agreement with the predicted behavior. Bulk properties of Ag are in agreement with experimental values which make the study of electronic and transport properties in silver nanowires interesting because they are promising materials as bridging pieces in nanoelectronics. Transmission coefficient and V-I characteristic of Ag nano wire reveals that silver nanowire can be used as an electrode device.

Controllable synthesis of organic-inorganic hybrid MoOx/polyaniline nanowires and nanotubes.

PubMed

Wang, Sinong; Gao, Qingsheng; Zhang, Yahong; Gao, Jing; Sun, Xuhui; Tang, Yi

2011-02-01

A novel chemical oxidative polymerization approach has been proposed for the controllable preparation of organic-inorganic hybrid MoO(x)/polyaniline (PANI) nanocomposites based on the nanowire precursor of Mo(3)O(10)(C(6)H(8)N)(2)·2H(2)O with sub-nanometer periodic structures. The nanotubes, nanowires, and rambutan-like nanoparticles of MoO(x)/PANI were successfully obtained through simply modulating the pH values to 2.5-3.5, ≈2.0 and ≈1.0, respectively. Through systematic physicochemical characterization, such as scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, Raman spectroscopy, and so forth, the composition and structure of MoO(x)/PANI hybrid nanocomposites are well confirmed. It is found that the nanowire morphology of the precursor is the key to achieve the one-dimensional (1D) structures of final products. A new polymerization-dissolution mechanism is proposed to explain the formation of such products with different morphologies, in which the match between polymerization and dissolution processes of the precursor plays the important role. This approach will find a new way to controllably prepare various organic-inorganic hybrid 1D nanomaterials especially for polymer-hybrid nanostructures. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heterogeneous path ensembles for conformational transitions in semi–atomistic models of adenylate kinase

PubMed Central

Bhatt, Divesh; Zuckerman, Daniel M.

2010-01-01

We performed “weighted ensemble” path–sampling simulations of adenylate kinase, using several semi–atomistic protein models. The models have an all–atom backbone with various levels of residue interactions. The primary result is that full statistically rigorous path sampling required only a few weeks of single–processor computing time with these models, indicating the addition of further chemical detail should be readily feasible. Our semi–atomistic path ensembles are consistent with previous biophysical findings: the presence of two distinct pathways, identification of intermediates, and symmetry of forward and reverse pathways. PMID:21660120

Atomistic simulation of defect formation and structure transitions in U-Mo alloys in swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Kolotova, L. N.; Starikov, S. V.

2017-11-01

In irradiation of swift heavy ions, the defects formation frequently takes place in crystals. High energy transfer into the electronic subsystem and relaxations processes lead to the formation of structural defects and cause specific effects, such as the track formation. There is a large interest to understanding of the mechanisms of defects/tracks formation due to the heating of the electron subsystem. In this work, the atomistic simulation of defects formation and structure transitions in U-Mo alloys in irradiation of swift heavy ions has been carried out. We use the two-temperature atomistic model with explicit account of electron pressure and electron thermal conductivity. This two-temperature model describes ionic subsystem by means of molecular dynamics while the electron subsystem is considered in the continuum approach. The various mechanisms of structure changes in irradiation are examined. In particular, the simulation results indicate that the defects formation may be produced without melting and subsequent crystallization. Threshold stopping power of swift ions for the defects formation in irradiation in the various conditions are calculated.

Atomistic modeling of carbon Cottrell atmospheres in bcc iron

NASA Astrophysics Data System (ADS)

Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

2013-01-01

Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

Ferromagnetic nanowires: Field-induced self-assembly, magnetotransport and biological applications

NASA Astrophysics Data System (ADS)

Tanase, Monica

In this dissertation, a series of experiments on magnetic nanowires are described. Magnetic nanowires suspended in fluid solutions can be assembled and ordered by taking advantage of their large shape anisotropy. Magnetic manipulation and assembly techniques were developed, using electrodeposited Ni nanowires. Preorienting nanowires in a small magnetic field induced their self-assembly in continuous chains. A new technique of magnetic trapping allowed capture of single nanowires from fluid suspension on lithographically fabricated micromagnets. As described herein, the presence of an external magnetic field plays a fundamental role in all fluid assembly methods used. The dynamics of both chaining and trapping processes is described quantitatively in terms of the interplay of magnetic forces and fluid drag at low Reynolds number. Lithographic methods for addressing single nanowires for transport characterization were developed. Magnetotransport measurements were performed on individual straight and bent PtNiPt nanowires. The Pt end segments provided an oxide-free interface to the magnetic central segment. In straight nanowires, domain reversal was observed to occur via curling mode initiated in a small nucleation volume. Magnetotransport in bent nanowires allowed the investigation of a domain wall trapped at the bend. Magnetic trapping of nanowires on pre-fabricated electrodes was adapted as a successful alternative contacting technique to lithography. The self-assembly and manipulation techniques were adapted for manipulation of cells as nanowires were found to bind to cells through nonspecific adhesion mechanisms. Ni nanowires were found to outperform superparamagnetic beads in magnetic cell separations. Additionally, the large remnant magnetization of the nanowires allowed for low-field manipulation techniques. Self-assembled chains of cells were formed and single cells were localized on substrates patterned with micromagnets. A fluid flow method was developed to

Effects of Nanowire Length and Surface Roughness on the Electrochemical Sensor Properties of Nafion-Free, Vertically Aligned Pt Nanowire Array Electrodes

PubMed Central

Li, Zhiyang; Leung, Calvin; Gao, Fan; Gu, Zhiyong

2015-01-01

In this paper, vertically aligned Pt nanowire arrays (PtNWA) with different lengths and surface roughnesses were fabricated and their electrochemical performance toward hydrogen peroxide (H2O2) detection was studied. The nanowire arrays were synthesized by electroplating Pt in nanopores of anodic aluminum oxide (AAO) template. Different parameters, such as current density and deposition time, were precisely controlled to synthesize nanowires with different surface roughnesses and various lengths from 3 μm to 12 μm. The PtNWA electrodes showed better performance than the conventional electrodes modified by Pt nanowires randomly dispersed on the electrode surface. The results indicate that both the length and surface roughness can affect the sensing performance of vertically aligned Pt nanowire array electrodes. Generally, longer nanowires with rougher surfaces showed better electrochemical sensing performance. The 12 μm rough surface PtNWA presented the largest sensitivity (654 μA·mM−1·cm−2) among all the nanowires studied, and showed a limit of detection of 2.4 μM. The 12 μm rough surface PtNWA electrode also showed good anti-interference property from chemicals that are typically present in the biological samples such as ascorbic, uric acid, citric acid, and glucose. The sensing performance in real samples (river water) was tested and good recovery was observed. These Nafion-free, vertically aligned Pt nanowires with surface roughness control show great promise as versatile electrochemical sensors and biosensors. PMID:26404303

The growth of ultralong and highly blue luminescent gallium oxide nanowires and nanobelts, and direct horizontal nanowire growth on substrates.

PubMed

Kuo, Chi-Liang; Huang, Michael H

2008-04-16

We report the growth of ultralong β-Ga(2)O(3) nanowires and nanobelts on silicon substrates using a vapor phase transport method. The growth was carried out in a tube furnace, with gallium metal serving as the gallium source. The nanowires and nanobelts can grow to lengths of hundreds of nanometers and even millimeters. Their full lengths have been captured by both scanning electron microscope (SEM) and optical images. X-ray diffraction (XRD) patterns and transmission electron microscope (TEM) images have been used to study the crystal structures of these nanowires and nanobelts. Strong blue emission from these ultralong nanostructures can be readily observed by irradiation with an ultraviolet (UV) lamp. Diffuse reflectance spectroscopy measurements gave a band gap of 4.56 eV for these nanostructures. The blue emission shows a band maximum at 470 nm. Interestingly, by annealing the silicon substrates in an oxygen atmosphere to form a thick SiO(2) film, and growing Ga(2)O(3) nanowires over the sputtered gold patterned regions, horizontal Ga(2)O(3) nanowire growth in the non-gold-coated regions can be observed. These horizontal nanowires can grow to as long as over 10 µm in length. Their composition has been confirmed by TEM characterization. This represents one of the first examples of direct horizontal growth of oxide nanowires on substrates.

Synthesis and characterization of Au incorporated Alq3 nanowires

NASA Astrophysics Data System (ADS)

Khan, Mohammad Bilal; Ahmad, Sultan; Parwaz, M.; Rahul, Khan, Zishan H.

2018-05-01

We report the synthesis and characterization of pure and Au incorporated Alq3 nanowires. These nanowires are synthesized using thermal vapor transport method. The luminescence intensity of Au incorporated Alq3 nanowires are recorded to be higher than that of pure Alq3 nanowires, which is found to increase with the increase in Au concentration. Fluorescence quenching is also observed when Au concentration is increased beyond the certain limit.

Stress-based control of magnetic nanowire domain walls in artificial multiferroic systems

NASA Astrophysics Data System (ADS)

Dean, J.; Bryan, M. T.; Schrefl, T.; Allwood, D. A.

2011-01-01

Artificial multiferroic systems, which combine piezoelectric and piezomagnetic materials, offer novel methods of controlling material properties. Here, we use combined structural and magnetic finite element models to show how localized strains in a piezoelectric film coupled to a piezomagnetic nanowire can attract and pin magnetic domain walls. Synchronous switching of addressable contacts enables the controlled movement of pinning sites, and hence domain walls, in the nanowire without applied magnetic field or spin-polarized current, irrespective of domain wall structure. Conversely, domain wall-induced strain in the piezomagnetic material induces a local potential difference in the piezoelectric, providing a mechanism for sensing domain walls. This approach overcomes the problems in magnetic nanowire memories of domain wall structure-dependent behavior and high power consumption. Nonvolatile random access or shift register memories based on these effects can achieve storage densities >1 Gbit/In2, sub-10 ns switching times, and power consumption <100 keV per operation.

Top-Down Nanofabrication and Characterization of 20 nm Silicon Nanowires for Biosensing Applications

PubMed Central

M. N, M. Nuzaihan; Hashim, U.; Md Arshad, M. K.; Ruslinda, A. Rahim; Rahman, S. F. A.; Fathil, M. F. M.; Ismail, Mohd. H.

2016-01-01

A top-down nanofabrication approach is used to develop silicon nanowires from silicon-on-insulator (SOI) wafers and involves direct-write electron beam lithography (EBL), inductively coupled plasma-reactive ion etching (ICP-RIE) and a size reduction process. To achieve nanometer scale size, the crucial factors contributing to the EBL and size reduction processes are highlighted. The resulting silicon nanowires, which are 20 nm in width and 30 nm in height (with a triangular shape) and have a straight structure over the length of 400 μm, are fabricated precisely at the designed location on the device. The device is applied in biomolecule detection based on the changes in drain current (Ids), electrical resistance and conductance of the silicon nanowires upon hybridization to complementary target deoxyribonucleic acid (DNA). In this context, the scaled-down device exhibited superior performances in terms of good specificity and high sensitivity, with a limit of detection (LOD) of 10 fM, enables for efficient label-free, direct and higher-accuracy DNA molecules detection. Thus, this silicon nanowire can be used as an improved transducer and serves as novel biosensor for future biomedical diagnostic applications. PMID:27022732

Doping of germanium nanowires grown in presence of PH3

NASA Astrophysics Data System (ADS)

Tutuc, E.; Chu, J. O.; Ott, J. A.; Guha, S.

2006-12-01

The authors study the Au-catalyzed chemical vapor growth of germanium (Ge) nanowires in the presence of phosphine (PH3), used as a dopant precursor. The device characteristics of the ensuing nanowire field effect transistors (FETs) indicate n-type, highly doped nanowires. Using a combination of different nanowire growth sequences and their FET characteristics, the authors determine that phosphorus incorporates predominately via the conformal growth, which accompanies the acicular, nanowire growth. As such, the Ge nanowires grown in the presence of PH3 contain a phosphorus doped shell and an undoped core. The authors determine the doping level in the shell to be ≃(1-4)×1019cm-3.

The Joule heating problem in silver nanowire transparent electrodes

NASA Astrophysics Data System (ADS)

Khaligh, H. H.; Xu, L.; Khosropour, A.; Madeira, A.; Romano, M.; Pradére, C.; Tréguer-Delapierre, M.; Servant, L.; Pope, M. A.; Goldthorpe, I. A.

2017-10-01

Silver nanowire transparent electrodes have shown considerable potential to replace conventional transparent conductive materials. However, in this report we show that Joule heating is a unique and serious problem with these electrodes. When conducting current densities encountered in organic solar cells, the average surface temperature of indium tin oxide (ITO) and silver nanowire electrodes, both with sheet resistances of 60 ohms/square, remains below 35 °C. However, in contrast to ITO, the temperature in the nanowire electrode is very non-uniform, with some localized points reaching temperatures above 250 °C. These hotspots accelerate nanowire degradation, leading to electrode failure after 5 days of continuous current flow. We show that graphene, a commonly used passivation layer for these electrodes, slows nanowire degradation and creates a more uniform surface temperature under current flow. However, the graphene does not prevent Joule heating in the nanowires and local points of high temperature ultimately shift the failure mechanism from nanowire degradation to melting of the underlying plastic substrate. In this paper, surface temperature mapping, lifetime testing under current flow, post-mortem analysis, and modelling illuminate the behaviour and failure mechanisms of nanowires under extended current flow and provide guidelines for managing Joule heating.

Growth Mechanism of Nanowires: Binary and Ternary Chalcogenides