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Sample records for charge transport mechanism

  1. Mechanisms for DNA Charge Transport

    OpenAIRE

    Genereux, Joseph C.; Barton, Jacqueline K.

    2010-01-01

    DNA charge transport (CT) chemistry has received considerable attention by scientific researchers over the past 15 years since our first provocative publication on long range CT in a DNA assembly.1,2 This interest, shared by physicists, chemists and biologists, reflects the potential of DNA CT to provide a sensitive route for signaling, whether in the construction of nanoscale biosensors or as an enzymatic tool to detect damage in the genome. Research into DNA CT chemistry began as a quest to...

  2. Polaronic charge transport mechanism in DNA

    OpenAIRE

    Hennig, Dirk; Archilla, Juan F. R.

    2006-01-01

    For the detailed understanding of the conduction mechanism in DNA we use models based on the concept of polaron and breather solutions. We describe how charge transport relies on the coupling of the charge carrying unit to the vibrational modes of DNA allowing for the formation of polaron-like localised states. The mobility of these localised states is discussed particularly in the presence of parametrical and structural disorder inherent to biomolecules. It is demonstrated tha...

  3. Nonlinear charge transport mechanism in periodic and disordered DNA

    OpenAIRE

    Hennig, Dirk; Archilla, Juan F. R.; J Agarwal

    2003-01-01

    We study a model for polaron-like charge transport mechanism along DNA molecules with emphasis on the impact of parametrical and structural disorder. Our model Hamiltonian takes into account the coupling of the charge carrier to two different kind of modes representing fluctuating twist motions of the base pairs and H-bond distortions within the double helix structure of $\\lambda-$DNA. Localized stationary states are constructed with the help of a nonlinear map approach for a periodic double ...

  4. Mechanism of electrochemical charge transport in individual transition metal complexes.

    Science.gov (United States)

    Albrecht, Tim; Guckian, Adrian; Kuznetsov, Alexander M; Vos, Johannes G; Ulstrup, Jens

    2006-12-27

    We used electrochemical scanning tunneling microscopy (STM) and spectroscopy (STS) to elucidate the mechanism of electron transport through individual pyridyl-based Os complexes. Our tunneling data obtained by two-dimensional electrochemical STS and STM imaging lead us to the conclusion that electron transport occurs by thermally activated hopping. The conductance enhancement around the redox potential of the complex, which is reminiscent of switching and transistor characterics in electronics, is reflected both in the STM imaging contrast and directly in the tunneling current. The latter shows a biphasic distance dependence, in line with a two-step electron hopping process. Under conditions where the substrate/molecule electron transfer (ET) step is dominant in determining the overall tunneling current, we determined the conductance of an individual Os complex to be 9 nS (Vbias = 0.1 V). We use theoretical approaches to connect the single-molecule conductance with electrochemical kinetics data obtained from monolayer experiments. While the latter leave some controversy regarding the degree of electronic coupling, our results suggest that electron transport occurs in the adiabatic limit of strong electronic coupling. Remarkably, and in contrast to established ET theory, the redox-mediated tunneling current remains strongly distance dependent due to the electronic coupling, even in the adiabatic limit. We exploit this feature and apply it to electrochemical single-molecule conductance data. In this way, we attempt to paint a unified picture of electrochemical charge transport at the single-molecule and monolayer levels. PMID:17177467

  5. Origin of traps and charge transport mechanism in hafnia

    Energy Technology Data Exchange (ETDEWEB)

    Islamov, D. R., E-mail: damir@isp.nsc.ru; Gritsenko, V. A., E-mail: grits@isp.nsc.ru [Rzhanov Institute of Semiconductor Physics, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Cheng, C. H. [Department of Mechatronic Technology, National Taiwan Normal University, Taipei 106, Taiwan (China); Chin, A., E-mail: albert-achin@hotmail.com [National Chiao Tung University, Hsinchu 300, Taiwan (China)

    2014-12-01

    In this study, we demonstrated experimentally and theoretically that oxygen vacancies are responsible for the charge transport in HfO{sub 2}. Basing on the model of phonon-assisted tunneling between traps, and assuming that the electron traps are oxygen vacancies, good quantitative agreement between the experimental and theoretical data of current-voltage characteristics was achieved. The thermal trap energy of 1.25 eV in HfO{sub 2} was determined based on the charge transport experiments.

  6. Charge transport mechanisms of graphene/semiconductor Schottky barriers: A theoretical and experimental study

    International Nuclear Information System (INIS)

    Graphene has been proposed as a material for semiconductor electronic and optoelectronic devices. Understanding the charge transport mechanisms of graphene/semiconductor Schottky barriers will be crucial for future applications. Here, we report a theoretical model to describe the transport mechanisms at the interface of graphene and semiconductors based on conventional semiconductor Schottky theory and a floating Fermi level of graphene. The contact barrier heights can be estimated through this model and be close to the values obtained from the experiments, which are lower than those of the metal/semiconductor contacts. A detailed analysis reveals that the barrier heights are as the function of the interface separations and dielectric constants, and are influenced by the interfacial states of semiconductors. Our calculations show how this behavior of lowering barrier heights arises from the Fermi level shift of graphene induced by the charge transfer owing to the unique linear electronic structure

  7. Charge transport mechanisms of graphene/semiconductor Schottky barriers: A theoretical and experimental study

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Haijian; Liu, Zhenghui; Xu, Gengzhao; Shi, Lin; Fan, Yingmin; Yang, Hui [Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China); Xu, Ke, E-mail: kxu2006@sinano.ac.cn; Wang, Jianfeng; Ren, Guoqiang [Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China); Suzhou Nanowin Science and Technology Co., Ltd., Suzhou 215123 (China)

    2014-01-07

    Graphene has been proposed as a material for semiconductor electronic and optoelectronic devices. Understanding the charge transport mechanisms of graphene/semiconductor Schottky barriers will be crucial for future applications. Here, we report a theoretical model to describe the transport mechanisms at the interface of graphene and semiconductors based on conventional semiconductor Schottky theory and a floating Fermi level of graphene. The contact barrier heights can be estimated through this model and be close to the values obtained from the experiments, which are lower than those of the metal/semiconductor contacts. A detailed analysis reveals that the barrier heights are as the function of the interface separations and dielectric constants, and are influenced by the interfacial states of semiconductors. Our calculations show how this behavior of lowering barrier heights arises from the Fermi level shift of graphene induced by the charge transfer owing to the unique linear electronic structure.

  8. Evaluation of the film formation and the charge transport mechanism of indium tin oxide nanoparticle films

    International Nuclear Information System (INIS)

    The structure formation and charge transfer of thin nanoparticulate indium tin oxide (ITO) films prepared by dip-coating was studied as a function of stabilizer before and after annealing at different temperatures. The analysis of the film structure by optical methods revealed that it is a function of the stability. Suspensions containing an optimum stabilizer concentration of 0.1 mol/l resulted in densely packed films with a peak specific conductivity of 8.3 S cm-1 after annealing at 550 oC for 1 h in air and 121 S cm-1 after annealing in forming gas at 250 oC for 1 h, respectively. Furthermore, for the densely packed films fluctuation-induced tunnelling was found to be the dominant charge transport mechanism, whereas for the low density films a thermally activated charge transport was observed. That the films of maximum density showed a metallic charge transport behaviour at temperatures above 300 K indicated the optimal contact between ITO particles had been achieved.

  9. Effect of temperature and UV illumination on charge transport mechanisms in DNA

    Science.gov (United States)

    Narenji, Alaleh G.; Goshi, Noah; Bui, Chris; Mokili, John; Kassegne, Sam

    2015-04-01

    Research into the use of DNA molecules as building blocks for nanoelectronics as well as nanosystems continues. Recently, our group has reported significant electrical conductivity in λ-DNA through direct and in-direct measurements involving high-aspect ratio electrodes that eliminate the effect of the substrate. Our results demonstrate that, at moderate to high frequencies, λ-DNA molecular wires show low impedance. In addition, to prove that the conductivity is indeed from DNA bridge, we studied the effect of temperature and UV irradiation on DNA molecular wires. The temperature results indicate that λ-DNA molecular wires have differing impedance responses at two temperature regimes: impedance increases between 4°C - 40°C, then decreases from 40°C to the melting point (~110°C) at which λ-DNA denatures resulting in a complete loss of current transduction. This hysteric and bi-model behavior makes DNA a candidate for nanoelectronics components such as thermal transistors and switches. The data from UV exposure experiments indicates decreased conductivity of λ-DNA molecular wires after UV exposure, due to damage to GC base pairs and phosphate groups reducing the path available for both charge hopping and short-range electron tunneling mechanisms. The lessons learned from these conductivity experiments along with our knowledge of different charge transport mechanisms within DNA can be applied to the design of synthetic molecular wires for the construction of nanoelectronic devices.

  10. Charge transport through DNA/DNA duplexes and DNA/RNA hybrids: complex mechanism study

    Czech Academy of Sciences Publication Activity Database

    Kratochvílová, Irena; Vala, M.; Weiter, M.; Špérová, M.; Schneider, Bohdan; Páv, Ondřej; Šebera, Jakub; Rosenberg, Ivan; Sychrovský, Vladimír

    2013-01-01

    Roč. 20, č. 1 (2013), s. 9-9. ISSN 1211-5894. [Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /11./. 14.03.2013-16.03.2013, Nové Hrady] Institutional support: RVO:61388963 ; RVO:68378271 ; RVO:86652036 Keywords : charge transport * fluorescence spectroscopy * DFT Subject RIV: CF - Physical ; Theoretical Chemistry

  11. Facet-selective charge carrier transport, deactivation mechanism and stabilization of a Cu2O photo-electro-catalyst.

    Science.gov (United States)

    Li, Yang; Yun, Xiaogang; Chen, Hong; Zhang, Wenqin; Li, Yongdan

    2016-03-14

    A facet-dependent photo-deactivation mechanism of Cu2O was verified and reported, which is caused by the facet-dependent charge carrier transport. During irradiation, the {100} and {110} crystal facets are selectively corroded by the photo-generated holes, while the {111} facets are comparatively stable. PMID:26898270

  12. Charge carrier transport mechanisms in perovskite CdTiO3 fibers

    International Nuclear Information System (INIS)

    Electrical transport properties of electrospun cadmium titanate (CdTiO3) fibers have been investigated using ac and dc measurements. Air annealing of as spun fibers at 1000 °C yielded the single phase perovskite fibers having diameter ∼600 nm - 800 nm. Both the ac and dc electrical measurements were carried out at temperatures from 200 K – 420 K. The complex impedance plane plots revealed a single semicircular arc which indicates the interfacial effect due to grain boundaries of fibers. The dielectric properties obey the Maxwell-Wagner theory of interfacial polarization. In dc transport study at low voltages, data show Ohmic like behavior followed by space charge limited current (SCLC) with traps at higher voltages at all temperatures (200 K – 420 K). Trap density in our fibers system is Nt = 6.27 × 1017 /cm3. Conduction mechanism in the sample is governed by 3-D variable range hopping (VRH) from 200 K – 300 K. The localized density of states were found to be N(EF) = 5.51 × 1021 eV−1 cm−3 at 2 V. Other VRH parameters such as hopping distance (Rhop) and hopping energy (Whop) were also calculated. In the high temperature range of 320 K – 420 K, conductivity follows the Arrhenius law. The activation energy found at 2 V is 0.10 eV. Temperature dependent and higher values of dielectric constant make the perovskite CdTiO3 fibers efficient material for capacitive energy storage devices

  13. Triboelectric-Potential-Regulated Charge Transport Through p-n Junctions for Area-Scalable Conversion of Mechanical Energy.

    Science.gov (United States)

    Meng, Xian Song; Wang, Zhong Lin; Zhu, Guang

    2016-01-27

    Regulation of charge-transport direction is realized through the coupling of triboelectrification, electrostatic induction, and semiconducting properties for area-scalable conversion of mechanical energy. The output current from each unit triboelectric generator can always constructively add up due to the unidirectional flow of electrons. This work proposes a practical and general route to area-scalable applications of the triboelectric generator and other energy-harvesting techniques. PMID:26611707

  14. Mechanism of Crystallization and Implications for Charge Transport in Poly(3-ethylhexylthiophene) Thin Films

    KAUST Repository

    Duong, Duc T.

    2014-04-09

    In this work, crystallization kinetics and aggregate growth of poly(3-ethylhexylthiophene) (P3EHT) thin films are studied as a function of film thickness. X-ray diffraction and optical absorption show that individual aggregates and crystallites grow anisotropically and mostly along only two packing directions: the alkyl stacking and the polymer chain backbone direction. Further, it is also determined that crystallization kinetics is limited by the reorganization of polymer chains and depends strongly on the film thickness and average molecular weight. Time-dependent, field-effect hole mobilities in thin films reveal a percolation threshold for both low and high molecular weight P3EHT. Structural analysis reveals that charge percolation requires bridged aggregates separated by a distance of ≈2-3 nm, which is on the order of the polymer persistence length. These results thus highlight the importance of tie molecules and inter-aggregate distance in supporting charge percolation in semiconducting polymer thin films. The study as a whole also demonstrates that P3EHT is an ideal model system for polythiophenes and should prove to be useful for future investigations into crystallization kinetics. Recrystallization kinetics and its relationship to charge transport in poly(3-ethylhexylthiophene) (P3EHT) thin films are investigated using a combination of grazing incidence X-ray diffraction, optical absorption, and field-effect transistor measurements. These results show that thin film crystallization kinetics is limited by polymer chain reorganization and that charge percolation depends strongly on the edge-to-edge distance between aggregates. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Charge-carrier transport mechanisms in composites containing carbon-nanotube inclusions

    International Nuclear Information System (INIS)

    From the microwave-radiation transmittance and reflectance spectra, the temperature dependence of the complex permittivity of carbon nanotubes, subjected to high-temperature annealing, and composite materials produced on their basis is determined. The electron transport mechanisms in composites with inclusions of unannealed carbon nanotubes and nanotubes subjected to high-temperature annealing are determined. The influence of the annealing temperature on the parameters that are characteristic of these mechanisms and control the temperature dependence of the conductivity of multiwall carbon nanotubes is established

  16. Charge-carrier transport mechanisms in composites containing carbon-nanotube inclusions

    Energy Technology Data Exchange (ETDEWEB)

    Usanov, D. A., E-mail: UsanovDA@info.sgu.ru; Skripal’, A. V.; Romanov, A. V. [Saratov State University (Russian Federation)

    2015-12-15

    From the microwave-radiation transmittance and reflectance spectra, the temperature dependence of the complex permittivity of carbon nanotubes, subjected to high-temperature annealing, and composite materials produced on their basis is determined. The electron transport mechanisms in composites with inclusions of unannealed carbon nanotubes and nanotubes subjected to high-temperature annealing are determined. The influence of the annealing temperature on the parameters that are characteristic of these mechanisms and control the temperature dependence of the conductivity of multiwall carbon nanotubes is established.

  17. Charge transport in organic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ortmann, Frank

    2009-07-01

    The understanding of charge transport is one of the central goals in the research on semiconducting crystals. For organic crystals this is particularly complicated due to the strength of the electron-phonon interaction which requires the description of a seamless transition between the limiting cases of a coherent band-transport mechanism and incoherent hopping. In this thesis, charge transport phenomena in organic crystals are studied by theoretical means. A theory for charge transport in organic crystals is developed which covers the whole temperature range from low T, where it reproduces an expression from the Boltzmann equation for band transport, via elevated T, where it generalizes Holstein's small-polaron theory to finite bandwidths, up to high T, for which a temperature dependence equal to Marcus' electron-transfer theory is obtained. Thereby, coherent band transport and thermally induced hopping are treated on equal footing while simultaneously treating the electron-phonon interaction non-perturbatively. By avoiding the approximation of narrow polaron bands the theory allows for the description of large and small polarons and serves as a starting point for computational studies. The theoretical description is completed by using ab initio material parameters for the selected crystals under study. These material parameters are taken from density functional theory calculations for durene, naphthalene, and guanine crystals. Besides the analysis of the transport mechanism, special focus is put on the study of the relationship between mobility anisotropy and structure of the crystals. This study is supported by a 3D-visualization method for the transport channels in such crystals which has been derived in this thesis. (orig.)

  18. Charge transfer and transport in DNA

    OpenAIRE

    Jortner, Joshua; Bixon, Mordechai; Langenbacher, Thomas; Michel-Beyerle, Maria E.

    1998-01-01

    We explore charge migration in DNA, advancing two distinct mechanisms of charge separation in a donor (d)–bridge ({Bj})–acceptor (a) system, where {Bj} = B1,B2, … , BN are the N-specific adjacent bases of B-DNA: (i) two-center unistep superexchange induced charge transfer, d*{Bj}a → d∓{Bj}a±, and (ii) multistep charge transport involves charge injection from d* (or d+) to {Bj}, charge hopping within {Bj}, and charge trapping by a. For off-resonance coupling, mechanism i prevails with the char...

  19. Monte Carlo Studies of Charge Transport Below the Mobility Edge

    OpenAIRE

    Jakobsson, Mattias

    2012-01-01

    Charge transport below the mobility edge, where the charge carriers are hopping between localized electronic states, is the dominant charge transport mechanism in a wide range of disordered materials. This type of incoherent charge transport is fundamentally different from the coherent charge transport in ordered crystalline materials. With the advent of organic electronics, where small organic molecules or polymers replace traditional inorganic semiconductors, the interest for this type of h...

  20. Charge transport in C60-based dumbbell-type molecules: mechanically induced switching between two distinct conductance states.

    Science.gov (United States)

    Moreno-García, Pavel; La Rosa, Andrea; Kolivoška, Viliam; Bermejo, Daniel; Hong, Wenjing; Yoshida, Koji; Baghernejad, Masoud; Filippone, Salvatore; Broekmann, Peter; Wandlowski, Thomas; Martín, Nazario

    2015-02-18

    Single molecule charge transport characteristics of buckminsterfullerene-capped symmetric fluorene-based dumbbell-type compound 1 were investigated by scanning tunneling microscopy break junction (STM-BJ), current sensing atomic force microscopy break junction (CS-AFM-BJ), and mechanically controlled break junction (MCBJ) techniques, under ambient conditions. We also show that compound 1 is able to form highly organized defect-free surface adlayers, allowing the molecules on the surface to be addressed specifically. Two distinct single molecule conductance states (called high G(H)(1) and low G(L)(1)) were observed, depending on the pressure exerted by the probe on the junction, thus allowing molecule 1 to function as a mechanically driven molecular switch. These two distinct conductance states were attributed to the electron tunneling through the buckminsterfullerene anchoring group and fully extended molecule 1, respectively. The assignment of conductance features to these configurations was further confirmed by control experiments with asymmetrically designed buckminsterfullerene derivative 2 as well as pristine buckminsterfullerene 3, both lacking the G(L) feature. PMID:25651069

  1. Space charge dominated beam transport

    International Nuclear Information System (INIS)

    We consider beam transport systems where space charge forces are comparable in strength with the external focusing force. Space charge then plays an important role for beam transmission and emittance growth. We use the envelope model for matching and the generalized field energy equations to study emittance growth. Analytic results are compared with numerical simulation. (orig.)

  2. DNA远距离电荷传输机制研究进展述论%Research Evolvement of Mechanisms for Long-range DNA Charge Transport

    Institute of Scientific and Technical Information of China (English)

    牛静; 崔运启

    2011-01-01

    Research about mechanisms for DNA charge transport has received considerable attention by researchers.Various factors can affect the long-range DNA charge transport in solution.In this paper,these factors are introduced briefly and current proposed are summarized.%分析了影响DNA电荷传输的因素,阐述了DNA中电荷传输的各种机制,认为DNA分子中任何一种构象都能形成多种电荷传输途径,条件的改变会导致DNA调节电荷传输的机制发生变化.

  3. Charging mechanisms in persistent phosphors

    OpenAIRE

    Smet, Philippe; Van den Eeckhout, Koen; Korthout, Katleen; Botterman, Jonas; van der Kolk, Erik; Bos, Adrie; Dorenbos, Pieter; Poelman, Dirk

    2011-01-01

    The development of novel persistent phosphors is currently hampered by a limited understanding of the charging mechanism. Using x-ray absorption and thermoluminescence spectroscopy we evaluate the validity of recently proposed models for the charging mechanism.

  4. Mechanism of charge transport in ligand-capped crystalline CdTe nanoparticles according to surface photovoltaic and photoacoustic results

    International Nuclear Information System (INIS)

    By combining surface photovoltaic and photoacoustic techniques, we probed the photogenerated charge transport channels of 3-mercaptopropionic acid (MPA)- and 2-mercaptoethylamine (MA)-capped crystalline CdTe nanoparticles on illumination with UV-near IR light. The results experimentally confirmed the presence of a CdS shell outside the CdTe core that formed through the self-assembly and decomposition of mercapto ligands during CdTe preparation. The data revealed that the CdS layer was partly responsible for the deexcitation behavior of the photogenerated carriers, which is related to the quantum tunnel effect. Experiments demonstrated that two quantum wells were located at wavelengths of 440 and 500 nm in buried interfacial space-charge regions, whereas the formation of a ligand layer obstructed charge transfer transitions of the core CdTe nanoparticles to a certain extent.

  5. Charge carrier transport in liquid crystals

    International Nuclear Information System (INIS)

    The materials exhibiting charge carrier mobility ranging from 10−3 to 0.1 cm2/Vs, i.e., between those of amorphous and crystalline materials, had been missing before the 1990s when the electronic conduction in liquid crystals was discovered. Since then, various liquid crystalline materials including discotic and calamitic liquid crystals have been studied in order to clarify their charge carrier transport properties in liquid crystalline mesophases. In this article, the historical background of the discovery of electronic conduction in liquid crystals, intrinsic and extrinsic conductions, unique properties of the charge carrier transport, the effect of molecular alignment on it, and the conduction mechanism in liquid crystalline mesophases are shortly described on the basis of the experimental and theoretical studies accumulated in these two decades, noting that the missing materials were liquid crystals. - Highlights: • Liquid crystals exhibit charge mobility ranging from 10–3 to 0.1 cm2/Vs. • Electronic (intrinsic) and ionic (extrinsic) conductions in liquid crystals • Unique charge carrier transport properties in liquid crystals • Effect of molecular alignment in mesophases on charge carrier transport • Conduction mechanism in smectic liquid crystals

  6. Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

    Directory of Open Access Journals (Sweden)

    Pavel V. Komarov

    2013-09-01

    Full Text Available Atomistic and first-principles molecular dynamics simulations are employed to investigate the structure formation in a hydrated Nafion membrane and the solvation and transport of protons in the water channel of the membrane. For the water/Nafion systems containing more than 4 million atoms, it is found that the observed microphase-segregated morphology can be classified as bicontinuous: both majority (hydrophobic and minority (hydrophilic subphases are 3D continuous and organized in an irregular ordered pattern, which is largely similar to that known for a bicontinuous double-diamond structure. The characteristic size of the connected hydrophilic channels is about 25–50 Å, depending on the water content. A thermodynamic decomposition of the potential of mean force and the calculated spectral densities of the hindered translational motions of cations reveal that ion association observed with decreasing temperature is largely an entropic effect related to the loss of low-frequency modes. Based on the results from the atomistic simulation of the morphology of Nafion, we developed a realistic model of ion-conducting hydrophilic channel within the Nafion membrane and studied it with quantum molecular dynamics. The extensive 120 ps-long density functional theory (DFT-based simulations of charge migration in the 1200-atom model of the nanochannel consisting of Nafion chains and water molecules allowed us to observe the bimodality of the van Hove autocorrelation function, which provides the direct evidence of the Grotthuss bond-exchange (hopping mechanism as a significant contributor to the proton conductivity.

  7. Charge transport in desolvated DNA

    Science.gov (United States)

    Wolter, Mario; Elstner, Marcus; Kubař, Tomáš

    2013-09-01

    The conductivity of DNA in molecular junctions is often probed experimentally under dry conditions, but it is unclear how much of the solvent remains attached to the DNA and how this impacts its structure, electronic states, and conductivity. Classical MD simulations show that DNA is unstable if the solvent is removed completely, while a micro-hydrated system with few water molecules shows similar charge transport properties as fully solvated DNA does. This surprising effect is analyzed in detail by mapping the density functional theory-based electronic structure to a tight-binding Hamiltonian, allowing for an estimate of conductivity of various DNA sequences with snapshot-averaged Landauer's approach. The characteristics of DNA charge transport turn out to be determined by the nearest hydration shell(s), and the removal of bulk solvent has little effect on the transport.

  8. Charge transport in nanoscale junctions.

    Science.gov (United States)

    Albrecht, Tim; Kornyshev, Alexei; Bjørnholm, Thomas

    2008-09-01

    Understanding the fundamentals of nanoscale charge transfer is pivotal for designing future nano-electronic devices. Such devices could be based on individual or groups of molecular bridges, nanotubes, nanoparticles, biomolecules and other 'active' components, mimicking wire, diode and transistor functions. These have operated in various environments including vacuum, air and condensed matter, in two- or three-electrode configurations, at ultra-low and room temperatures. Interest in charge transport in ultra-small device components has a long history and can be dated back to Aviram and Ratner's letter in 1974 (Chem. Phys. Lett. 29 277-83). So why is there a necessity for a special issue on this subject? The area has reached some degree of maturity, and even subtle geometric effects in the nanojunction and noise features can now be resolved and rationalized based on existing theoretical concepts. One purpose of this special issue is thus to showcase various aspects of nanoscale and single-molecule charge transport from experimental and theoretical perspectives. The main principles have 'crystallized' in our minds, but there is still a long way to go before true single-molecule electronics can be implemented. Major obstacles include the stability of electronic nanojunctions, reliable operation at room temperature, speed of operation and, last but not least, integration into large networks. A gradual transition from traditional silicon-based electronics to devices involving a single (or a few) molecule(s) therefore appears to be more viable from technologic and economic perspectives than a 'quantum leap'. As research in this area progresses, new applications emerge, e.g. with a view to characterizing interfacial charge transfer at the single-molecule level in general. For example, electrochemical experiments with individual enzyme molecules demonstrate that catalytic processes can be studied with nanometre resolution, offering a route towards optimizing biosensors at

  9. Temperature Dependent Kinetics DNA Charge Transport

    Science.gov (United States)

    Wohlgamuth, Chris; McWilliams, Marc; Slinker, Jason

    2012-10-01

    Charge transport (CT) through DNA has been extensively studied, and yet the mechanism of this process is still not yet fully understood. Besides the benefits of understanding charge transport through this fundamental molecule, further understanding of this process will elucidate the biological implications of DNA CT and advance sensing technology. Therefore, we have investigated the temperature dependence of DNA CT by measuring the electrochemistry of DNA monolayers modified with a redox-active probe. By using multiplexed electrodes on silicon chips, we compare square wave voltammetry of distinct DNA sequences under identical experimental conditions. We vary the probe length within the well matched DNA duplex in order to investigate distance dependent kinetics. This length dependent study is a necessary step to understanding the dominant mechanism behind DNA CT. Using a model put forth by O'Dea and Osteryoung and applying a nonlinear least squares analysis we are able to determine the charge transfer rates (k), transfer coefficients (α), and the total surface concentration (&*circ;) of the DNA monolayer. Arrhenius like behavior is observed for the multiple probe locations, and the results are viewed in light of and compared to the prominent charge transport mechanisms.

  10. Charge fluctuations in nonlinear heat transport

    OpenAIRE

    Gergs, Niklas M.; Hörig, Christoph B. M.; Wegewijs, Maarten R.; Schuricht, Dirk

    2015-01-01

    We show that charge fluctuation processes are crucial for the nonlinear heat conductance through an interacting nanostructure, even far from a resonance. The often made assumption that off-resonant transport proceeds only by virtual occupation of charge states, underlying exchange-scattering models of transport, can fail dramatically for heat transport as compared to charge transport. This indicates that nonlinear heat transport spectroscopy may be a very promising experimental tool, in parti...

  11. Simulating charge transport in flexible systems

    Directory of Open Access Journals (Sweden)

    Timothy Clark

    2015-12-01

    Full Text Available Systems in which movements occur on two significantly different time domains, such as organic electronic components with flexible molecules, require different simulation techniques for the two time scales. In the case of molecular electronics, charge transport is complicated by the several different mechanisms (and theoretical models that apply in different cases. We cannot yet combine time scales of molecular and electronic movement in simulations of real systems. This review describes our progress towards this goal.

  12. Simulating charge transport in flexible systems

    OpenAIRE

    Timothy Clark

    2015-01-01

    Systems in which movements occur on two significantly different time domains, such as organic electronic components with flexible molecules, require different simulation techniques for the two time scales. In the case of molecular electronics, charge transport is complicated by the several different mechanisms (and theoretical models) that apply in different cases. We cannot yet combine time scales of molecular and electronic movement in simulations of real systems. This review describes our ...

  13. Charge transport in disordered materials

    Science.gov (United States)

    Gagorik, Adam Gerald

    This thesis is focused on on using Monte Carlo simulation to extract device relevant properties, such as the current voltage behavior of transistors and the efficiency of photovoltaics, from the hopping transport of molecules. Specifically, simulation is used to study organic field-effect transistors (OFETs) and organic photo-voltaics (OPVs). For OFETs, the current was found to decrease with increasing concentration of traps and barriers in the system. As the barrier/trap concentration approaches 100%, the current recovers as carrier begin to travel through the manifold of connected trap states. Coulomb interactions between like charges are found to play a role in removing carriers from trap states. The equilibrium current in OFETs was found to be independent of charge injection method, however, the finite size of devices leads to an oscillatory current. Fourier transforms of the electrical current show peaks that vary non-linearly with device length, while being independent of device width. This has implications for the mobility of carriers in finite sized devices. Lastly, the presence of defects and high barriers (> 0.4 eV) was found to produce negative differential resistance in the saturation region of OFET curves, unlike traps. While defects and barriers prohibit carriers from reaching the drain at high voltages, the repulsive interaction between like charged carriers pushes charges around the defects. For OPVs, the effects of device morphology and charge delocalization were studied. Fill factors increased with domain size in monolayer isotropic morphologies, but decreased for band morphologies. In single-phase systems without Coulomb interactions, astonishingly high fill factors (. 70%) were found. In multilayer OPVs,a complex interplay of domain size, connectivity, tortuosity, interface trapping, and delocalization determined efficiency.

  14. Measuring Charge Transport in an Amorphous Semiconductor Using Charge Sensing

    OpenAIRE

    Maclean, K; Mentzel, T. S.; Kastner, M. A.

    2009-01-01

    We measure charge transport in hydrogenated amorphous silicon (a-Si:H) using a nanometer scale silicon MOSFET as a charge sensor. This charge detection technique makes possible the measurement of extremely large resistances. At high temperatures, where the a-Si:H resistance is not too large, the charge detection measurement agrees with a direct measurement of current. The device geometry allows us to probe both the field effect and dispersive transport in the a-Si:H using charge sensing and t...

  15. Charge transport in conducting polymers

    International Nuclear Information System (INIS)

    Polymers with metal-like electrical conductivity are presented as novel materials. After a short discussion of the present situation of technical applications experimental data on the electrical conductivity and its temperature and frequency dependence are reviewed. These data are discussed within the framework of a model involving fluctuation-induced tunneling between marcroscopic inhomogeneities and energy dependent hopping of charge carriers between localized states on a microscopic level. Pulsed photoconductivity measurements indicate that also in photoconductivity a hopping mechanism is dominant and solitary wave motion of conjugational defects escapes observation. (orig.)

  16. Charge Transfer and Charge Transport on the Double Helix

    OpenAIRE

    N. P. Armitage; Briman, M.; Gruner, G.

    2003-01-01

    We present a short review of various experiments that measure charge transfer and charge transport in DNA. Some general comments are made on the possible connection between 'chemistry-style' charge transfer experiments that probe fluorescence quenching and remote oxidative damage and 'physics-style' measurements that measure transport properties as defined typically in the solid-state. We then describe measurements performed by our group on the millimeter wave response of DNA. By measuring ov...

  17. Charge transport in amorphous organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lukyanov, Alexander

    2011-03-15

    Organic semiconductors with the unique combination of electronic and mechanical properties may offer cost-effective ways of realizing many electronic applications, e. g. large-area flexible displays, printed integrated circuits and plastic solar cells. In order to facilitate the rational compound design of organic semiconductors, it is essential to understand relevant physical properties e. g. charge transport. This, however, is not straightforward, since physical models operating on different time and length scales need to be combined. First, the material morphology has to be known at an atomistic scale. For this atomistic molecular dynamics simulations can be employed, provided that an atomistic force field is available. Otherwise it has to be developed based on the existing force fields and first principle calculations. However, atomistic simulations are typically limited to the nanometer length- and nanosecond time-scales. To overcome these limitations, systematic coarse-graining techniques can be used. In the first part of this thesis, it is demonstrated how a force field can be parameterized for a typical organic molecule. Then different coarse-graining approaches are introduced together with the analysis of their advantages and problems. When atomistic morphology is available, charge transport can be studied by combining the high-temperature Marcus theory with kinetic Monte Carlo simulations. The approach is applied to the hole transport in amorphous films of tris(8- hydroxyquinoline)aluminium (Alq{sub 3}). First the influence of the force field parameters and the corresponding morphological changes on charge transport is studied. It is shown that the energetic disorder plays an important role for amorphous Alq{sub 3}, defining charge carrier dynamics. Its spatial correlations govern the Poole-Frenkel behavior of the charge carrier mobility. It is found that hole transport is dispersive for system sizes accessible to simulations, meaning that calculated

  18. Modeling and Analysis of the Electrokinetic Mass Transport and Adsorption Mechanisms of a Charged Adsorbate in Capillary Electrochromatography Systems Employing Charged Nonporous Adsorbent Particles.

    Science.gov (United States)

    Grimes, B. A.; Liapis, A. I.

    2001-02-01

    Mass-transfer systems based on electrokinetic phenomena (i.e., capillary electrochromatography (CEC)) have shown practical potential for becoming powerful separation methods for the biotechnology and pharmaceutical industries. A dynamic mathematical model, consisting of the momentum balance and the Poisson equations, as well as the unsteady-state continuity expressions for the cation and anion of the background electrolyte and of a positively charged analyte (adsorbate), is constructed and solved to determine quantitatively the electroosmotic velocity, the electrostatic potential, the concentration profiles of the charged species in the double layer and in the electroneutral core region of the fluid in the interstitial channels for bulk flow in the packed chromatographic column, and the axial current density profiles as the adsorbate adsorbs onto the negatively charged fixed sites on the surface of the nonporous particles packed in the chromatographic column. The frontal analysis mode of operation is simulated in this work. The results obtained from model simulations provide significant physical insight into and understanding of the development and propagation of the dynamic profile of the concentration of the adsorbate (analyte) and indicate that sharp, highly resolved adsorption fronts and large amounts of adsorbate in the adsorbed phase for a given column length can be obtained under the following conditions: (i) The ratio, gamma(2, 0), of the electroosmotic velocity of the mobile liquid phase at the column entrance after the adsorption front has passed the column entrance to the electrophoretic velocity of the anion is very close to -1. The structure of the equations of the model and model simulations indicate that a stable adsorption front cannot develop when gamma(2, 0) is less than -1 unless the value of the mobility of the cation is less than the value of the mobility of the analyte, which may be a rare occurrence in practical CEC systems. (ii) The ratio of

  19. Effective Topological Charge Cancelation Mechanism

    Science.gov (United States)

    Mesarec, Luka; Góźdź, Wojciech; Iglič, Aleš; Kralj, Samo

    2016-06-01

    Topological defects (TDs) appear almost unavoidably in continuous symmetry breaking phase transitions. The topological origin makes their key features independent of systems’ microscopic details; therefore TDs display many universalities. Because of their strong impact on numerous material properties and their significant role in several technological applications it is of strong interest to find simple and robust mechanisms controlling the positioning and local number of TDs. We present a numerical study of TDs within effectively two dimensional closed soft films exhibiting in-plane orientational ordering. Popular examples of such class of systems are liquid crystalline shells and various biological membranes. We introduce the Effective Topological Charge Cancellation mechanism controlling localised positional assembling tendency of TDs and the formation of pairs {defect, antidefect} on curved surfaces and/or presence of relevant “impurities” (e.g. nanoparticles). For this purpose, we define an effective topological charge Δmeff consisting of real, virtual and smeared curvature topological charges within a surface patch Δς identified by the typical spatially averaged local Gaussian curvature K. We demonstrate a strong tendency enforcing Δmeff → 0 on surfaces composed of Δς exhibiting significantly different values of spatially averaged K. For Δmeff ≠ 0 we estimate a critical depinning threshold to form pairs {defect, antidefect} using the electrostatic analogy.

  20. Ion and water transport in charge-modified graphene nanopores

    CERN Document Server

    Qiu, Yinghua; Chen, Weiyu; Si, Wei; Tan, Qiyan; Chen, Yunfei

    2016-01-01

    Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong long-range interaction which may have great influence on the fluid transport through nanopores. Here, molecular dynamics simulations were conducted to investigate ion and water transport through a 1.05-nm-in-diameter monolayer graphene nanopore with its edge charge-modified. From the results, it is found that the nanopores are selective to counterions when they are charged. As the charge amount increases, the total ionic currents show an increase-decrease profile while the co-ion currents monotonously decrease. The co-ions rejection can reach 75% and 90% when the nanopores are negatively and positively charged, respectively. Cl ions current increases and reaches a plateau, and Na+ current decreases with the charge amount in the systems where they act as counterions. Beside...

  1. Charge and spin transport in mesoscopic superconductors

    Directory of Open Access Journals (Sweden)

    M. J. Wolf

    2014-02-01

    Full Text Available Background: Non-equilibrium charge transport in superconductors has been investigated intensely in the 1970s and 1980s, mostly in the vicinity of the critical temperature. Much less attention has been paid to low temperatures and the role of the quasiparticle spin.Results: We report here on nonlocal transport in superconductor hybrid structures at very low temperatures. By comparing the nonlocal conductance obtained by using ferromagnetic and normal-metal detectors, we discriminate charge and spin degrees of freedom. We observe spin injection and long-range transport of pure, chargeless spin currents in the regime of large Zeeman splitting. We elucidate charge and spin transport by comparison to theoretical models.Conclusion: The observed long-range chargeless spin transport opens a new path to manipulate and utilize the quasiparticle spin in superconductor nanostructures.

  2. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

    Organic electronics have engendered substantial interest in printable, flexible and large-area applications thanks to their low fabrication cost per unit area, chemical versatility and solution processability. Nevertheless, fundamental understanding of device physics and charge transport in organic semiconductors lag somewhat behind, partially due to ubiquitous defects and impurities in technologically useful organic thin films, formed either by vacuum deposition or solution process. In this context, single-crystalline organic semiconductors, or organic single crystals, have therefore provided the ideal system for transport studies. Organic single crystals are characterized by their high chemical purity and outstanding structural perfection, leading to significantly improved electrical properties compared with their thin-film counterparts. Importantly, the surfaces of the crystals are molecularly flat, an ideal condition for building field-effect transistors (FETs). Progress in organic single crystal FETs (SC-FETs) is tremendous during the past decade. Large mobilities ~ 1 - 10 cm2V-1s-1 have been achieved in several crystals, allowing a wide range of electrical, optical, mechanical, structural, and theoretical studies. Several challenges still remain, however, which are the motivation of this thesis. The first challenge is to delineate the crystal structure/electrical property relationship for development of high-performance organic semiconductors. This thesis demonstrates a full spectrum of studies spanning from chemical synthesis, single crystal structure determination, quantum-chemical calculation, SC-OFET fabrication, electrical measurement, photoelectron spectroscopy characterization and extensive device optimization in a series of new rubrene derivatives, motivated by the fact that rubrene is a benchmark semiconductor with record hole mobility ~ 20 cm2V-1s-1. With successful preservation of beneficial pi-stacking structures, these rubrene derivatives form

  3. Charge Transport in Weyl Semimetals

    OpenAIRE

    Hosur, Pavan; Parameswaran, S. A.; Vishwanath, Ashvin

    2011-01-01

    We study transport in three dimensional Weyl semimetals with N isotropic Weyl nodes in the presence of Coulomb interactions or disorder at temperature T. In the interacting clean limit, we determine the conductivity by solving a quantum Boltzmann equation within a `leading log' approximation and find it to be proportional to T, upto logarithmic factors arising from the flow of couplings. In the noninteracting disordered case, we compute the finite-frequency Kubo conductivity and show that it ...

  4. Charge-transport simulations in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    May, Falk

    2012-07-06

    In this thesis we have extended the methods for microscopic charge-transport simulations for organic semiconductors, where weak intermolecular interactions lead to spatially localized charge carriers, and the charge transport occurs as an activated hopping process between diabatic states. In addition to weak electronic couplings between these states, different electrostatic environments in the organic material lead to a broadening of the density of states for the charge energies which limits carrier mobilities. The contributions to the method development include (i) the derivation of a bimolecular charge-transfer rate, (ii) the efficient evaluation of intermolecular (outer-sphere) reorganization energies, (iii) the investigation of effects of conformational disorder on intramolecular reorganization energies or internal site energies and (iv) the inclusion of self-consistent polarization interactions for calculation of charge energies. These methods were applied to study charge transport in amorphous phases of small molecules used in the emission layer of organic light emitting diodes (OLED). When bulky substituents are attached to an aromatic core in order to adjust energy levels or prevent crystallization, a small amount of delocalization of the frontier orbital to the substituents can increase electronic couplings between neighboring molecules. This leads to improved charge-transfer rates and, hence, larger charge-mobility. We therefore suggest using the mesomeric effect (as opposed to the inductive effect) when attaching substituents to aromatic cores, which is necessary for example in deep blue OLEDs, where the energy levels of a host molecule have to be adjusted to those of the emitter. Furthermore, the energy landscape for charges in an amorphous phase cannot be predicted by mesoscopic models because they approximate the realistic morphology by a lattice and represent molecular charge distributions in a multipole expansion. The microscopic approach shows that

  5. Charge Transport in DNA-Based Devices

    OpenAIRE

    Porath, Danny; Cuniberti, Gianaurelio; Di Felice, Rosa

    2004-01-01

    Charge migration along DNA molecules has attracted scientific interest for over half a century. Reports on possible high rates of charge transfer between donor and acceptor through the DNA, obtained in the last decade from solution chemistry experiments on large numbers of molecules, triggered a series of direct electrical transport measurements through DNA single molecules, bundles and networks. These measurements are reviewed and presented here. From these experiments we conclude that elect...

  6. Charge Transport in DNA - Insights from Simulations

    OpenAIRE

    Wolter, Mario

    2013-01-01

    Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.

  7. Charge transport in DNA-based devices

    OpenAIRE

    Porath, Danny; Cuniberti, Gianaurelio; Felice, Rosa di

    2004-01-01

    Charge migration along DNA molecules attracted scientific interest for over half a century. Reports on possible high rates of charge transfer between donor and acceptor through the DNA, obtained in the last decade from solution chemistry experiments on large numbers of molecules, triggered a series of direct electrical transport measurements through DNA single molecules, bundles and networks. These measurements are reviewed and presented here. From these experiments we conclude that electrica...

  8. Charge states of ions, and mechanisms of charge ordering transitions

    International Nuclear Information System (INIS)

    To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n−1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed. (paper)

  9. Macroscopic spin and charge transport theory

    Institute of Scientific and Technical Information of China (English)

    Li Da-Fang; Shi Jun-Ren

    2009-01-01

    According to the general principle of non-equilibrium thermodynamics, we propose a set of macroscopic transport equations for the spin transport and the charge transport. In particular, the spin torque is introduced as a generalized 'current density' to describe the phenomena associated with the spin non-conservation in a unified framework. The Einstein relations and the Onsager relations between different transport phenomena are established. Specifically, the spin transport properties of the isotropic non-magnetic and the isotropic magnetic two-dimensional electron gases are fully described by using this theory, in which only the macroscopic-spin-related transport phenomena allowed by the symmetry of the system are taken into account.

  10. DNA oligonucleotides damage in charge transport context

    Czech Academy of Sciences Publication Activity Database

    Kratochvílová, Irena; Bunček, M.; Šebera, Jakub; Záliš, Stanislav; Sychrovský, Vladimír; Mojzeš, P.; Schneider, Bohdan

    Prague: -, 2012. s. 22-22. [International Workshop on Radiation Damage to DNA /12./. 02.06.2012-06.06.2012, Prague] Institutional support: RVO:61388963 ; RVO:68378271 ; RVO:86652036 ; RVO:61388955 Keywords : charge transport * DNA damage Subject RIV: CC - Organic Chemistry

  11. The charge transport in polymeric gel electrolytes

    CERN Document Server

    Reiche, A

    2001-01-01

    The aim of the present thesis consisted in the study of the charge transport in gel electrolytes, which were obtained by photopolymerization of oligo(ethylene glycol) sub n -dimethacrylates with n=3, 9, and 23, and the survey of structure and property relations for the optimization of the electrolyte composition. The pressure dependence of the electric conductivity was measured. (HSI)

  12. Simulations of charge transport in organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vehoff, Thorsten

    2010-05-05

    We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main

  13. Ni2+-Enhanced Charge Transport via π-π Stacking Corridor in Metallic DNA

    OpenAIRE

    Tseng, Shin-Hua; JangJian, Peng-Chung; Tsai, Chuan-Mei; Cheng, Tsai-Mu; Chu, Hsueh-Liang; Chang, Yu-Chuan; Chung, Wei-Hsien; Chang, Chia-Ching

    2011-01-01

    The mechanism underlying DNA charge transport is intriguing. However, poor conductivity of DNA makes it difficult to detect DNA charge transport. Metallic DNA (M-DNA) has better conducting properties than native DNA. Ni2+ may chelate in DNA and thus enhance DNA conductivity. On the basis of this finding, it is possible to reveal the mechanisms underlying DNA charge transport. The conductivity of various Ni-DNA species such as single-stranded, full complement, or mismatched sequence molecules ...

  14. Preface: Charge transport in nanoscale junctions

    Science.gov (United States)

    Albrecht, Tim; Kornyshev, Alexei; Bjørnholm, Thomas

    2008-09-01

    Understanding the fundamentals of nanoscale charge transfer is pivotal for designing future nano-electronic devices. Such devices could be based on individual or groups of molecular bridges, nanotubes, nanoparticles, biomolecules and other 'active' components, mimicking wire, diode and transistor functions. These have operated in various environments including vacuum, air and condensed matter, in two- or three-electrode configurations, at ultra-low and room temperatures. Interest in charge transport in ultra-small device components has a long history and can be dated back to Aviram and Ratner's letter in 1974 (Chem. Phys. Lett. 29 277-83). So why is there a necessity for a special issue on this subject? The area has reached some degree of maturity, and even subtle geometric effects in the nanojunction and noise features can now be resolved and rationalized based on existing theoretical concepts. One purpose of this special issue is thus to showcase various aspects of nanoscale and single-molecule charge transport from experimental and theoretical perspectives. The main principles have 'crystallized' in our minds, but there is still a long way to go before true single-molecule electronics can be implemented. Major obstacles include the stability of electronic nanojunctions, reliable operation at room temperature, speed of operation and, last but not least, integration into large networks. A gradual transition from traditional silicon-based electronics to devices involving a single (or a few) molecule(s) therefore appears to be more viable from technologic and economic perspectives than a 'quantum leap'. As research in this area progresses, new applications emerge, e.g. with a view to characterizing interfacial charge transfer at the single-molecule level in general. For example, electrochemical experiments with individual enzyme molecules demonstrate that catalytic processes can be studied with nanometre resolution, offering a route towards optimizing biosensors at

  15. Charge Redistribution and Transport in Molecular Contacts

    Science.gov (United States)

    Corso, Martina; Ondráček, Martin; Lotze, Christian; Hapala, Prokop; Franke, Katharina J.; Jelínek, Pavel; Pascual, J. Ignacio

    2015-09-01

    The forces between two single molecules brought into contact, and their connection with charge transport through the molecular junction, are studied here using non contact AFM, STM, and density functional theory simulations. A carbon monoxide molecule approaching an acetylene molecule (C2 H2 ) initially feels weak attractive electrostatic forces, partly arising from charge reorganization in the presence of molecular . We find that the molecular contact is chemically passive, and protects the electron tunneling barrier from collapsing, even in the limit of repulsive forces. However, we find subtle conductance and force variations at different contacting sites along the C2 H2 molecule attributed to a weak overlap of their respective frontier orbitals.

  16. Charge transport by holographic Fermi surfaces

    CERN Document Server

    Faulkner, Thomas; Liu, Hong; McGreevy, John; Vegh, David

    2013-01-01

    We compute the contribution to the conductivity from holographic Fermi surfaces obtained from probe fermions in an AdS charged black hole. This requires calculating a certain part of the one-loop correction to a vector propagator on the charged black hole geometry. We find that the current dissipation is as efficient as possible and the transport lifetime coincides with the single-particle lifetime. In particular, in the case where the spectral density is that of a marginal Fermi liquid, the resistivity is linear in temperature.

  17. Transportation charges in the gas industry

    International Nuclear Information System (INIS)

    British Gas was privatized in 1986, a monopoly with no direct competition and only very light regulation of the tariff market. The regulator had an obligation to enable competition to develop in the unregulated, large-quantity, contract market. Competitors required access to the BG-owned transportation network. The government has recently rejected the recommendation of divestiture of the supply business, but has accelerated the advent of competition to the domestic market. This paper considers the role of BG's transport charges in these developments, using its past behaviour as a guide, and identifying the issues for future regulation and development of the gas market. (Author)

  18. Variational multiscale models for charge transport

    OpenAIRE

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic ...

  19. Understanding charge transport in molecular electronics.

    Science.gov (United States)

    Kushmerick, J J; Pollack, S K; Yang, J C; Naciri, J; Holt, D B; Ratner, M A; Shashidhar, R

    2003-12-01

    For molecular electronics to become a viable technology the factors that control charge transport across a metal-molecule-metal junction need to be elucidated. We use an experimentally simple crossed-wire tunnel junction to interrogate how factors such as metal-molecule coupling, molecular structure, and the choice of metal electrode influence the current-voltage characteristics of a molecular junction. PMID:14976024

  20. Charge Transport In Metal-Organic Frameworks

    OpenAIRE

    Wiers, Brian Michael

    2015-01-01

    This dissertation documents efforts to synthesize and measure ionically and electronically conductive porous, three-dimensional metal-organic frameworks. Chapter 1 introduces concepts of conductivity, mixed-valency, measurement techniques and gives a survey of charge-transport in metal-organic and covalent-organic frameworks. Concepts that directed the work detailed in this thesis is given, as is a perspective on possible future avenues to generate conductive metal-organic frameworks and poss...

  1. DNA Charge Transport over 34 nm

    OpenAIRE

    Slinker, Jason D.; Muren, Natalie B.; Renfrew, Sara E.; Barton, Jacqueline K.

    2011-01-01

    Molecular wires show promise in nanoscale electronics but the synthesis of uniform, long conductive molecules is a significant challenge. DNA of precise length, by contrast, is easily synthesized, but its conductivity has not been explored over the distances required for nanoscale devices. Here we demonstrate DNA charge transport (CT) over 34 nm in 100-mer monolayers on gold. Multiplexed gold electrodes modified with 100-mer DNA yield sizable electrochemical signals from a distal, covalent Ni...

  2. Biological contexts for DNA charge transport chemistry

    OpenAIRE

    Merino, Edward J.; Boal, Amie K.; Barton, Jacqueline K.

    2008-01-01

    Many experiments have now shown that double helical DNA can serve as a conduit for efficient charge transport (CT) reactions over long distances in vitro. These results prompt the consideration of biological roles for DNA-mediated CT. DNA CT has been demonstrated to occur in biologically relevant environments such as within the mitochondria and nuclei of HeLa cells as well as in isolated nucleosomes. In mitochondria, DNA damage that results from CT is funneled to a critical regulatory element...

  3. Mechanism of electric charge formation polyethylene

    International Nuclear Information System (INIS)

    The electric charge formation in irradiated dielectrics is a phenomenon resulting from interaction of radiation with matter. Using pressure-pulse techniques the general mechanism of eletric charge accumulation and space distribution in electron- and gamma-irradiated polyethylene (low and high density) was studied. The relationship between the charge accumulation and structural and radiation-induced defects in polyethylene was established. Results obtained are applied to other organic materials

  4. Effective models for charge transport in DNA nanowires

    OpenAIRE

    Gutierrez, Rafael; Cuniberti, Gianaurelio

    2006-01-01

    The rapid progress in the field of molecular electronics has led to an increasing interest on DNA oligomers as possible components of electronic circuits at the nanoscale. For this, however, an understanding of charge transfer and transport mechanisms in this molecule is required. Experiments show that a large number of factors may influence the electronic properties of DNA. Though full first principle approaches are the ideal tool for a theoretical characterization of the structural and elec...

  5. Charge-transport-mediated recruitment of DNA repair enzymes

    OpenAIRE

    Fok, Pak-Wing; Guo, Chin-Lin; Chou, Tom

    2008-01-01

    Damaged or mismatched bases in DNA can be repaired by base excision repair enzymes (BER) that replace the defective base. Although the detailed molecular structures of many BER enzymes are known, how they colocalize to lesions remains unclear. One hypothesis involves charge transport (CT) along DNA [Yavin et al., Proc. Natl. Acad. Sci. U.S.A. 102, 3546 (2005)]. In this CT mechanism, electrons are released by recently adsorbed BER enzymes and travel along the DNA. The electrons can scatter (by...

  6. Quantum-mechanical wavepacket transport in quantum cascade laser structures

    OpenAIRE

    Lee, S. -C.; Banit, F.; Woerner, M.; Wacker, A.

    2005-01-01

    We present a viewpoint of the transport process in quantum cascade laser structures in which spatial transport of charge through the structure is a property of coherent quantum-mechanical wavefunctions. In contrast, scattering processes redistribute particles in energy and momentum but do not directly cause spatial motion of charge.

  7. DNA Charge Transport within the Cell

    OpenAIRE

    Grodick, Michael A.; Muren, Natalie B.; Barton, Jacqueline K.

    2015-01-01

    The unique characteristics of DNA charge transport (CT) have prompted an examination of roles for this chemistry within a biological context. Not only can DNA CT facilitate long range oxidative damage of DNA, but redox-active proteins can couple to the DNA base stack and participate in long range redox reactions using DNA CT. DNA transcription factors with redox-active moieties such as SoxR and p53 can use DNA CT as a form of redox sensing. DNA CT chemistry also provides a means to monitor th...

  8. Terahertz transport dynamics of graphene charge carriers

    DEFF Research Database (Denmark)

    Buron, Jonas Christian Due

    The electronic transport dynamics of graphene charge carriers at femtosecond (10-15 s) to picosecond (10-12 s) time scales are investigated using terahertz (1012 Hz) time-domain spectroscopy (THz-TDS). The technique uses sub-picosecond pulses of electromagnetic radiation to gauge the electrodynamic...... response of thin conducting films at up to multi-terahertz frequencies. In this thesis THz-TDS is applied towards two main goals; (1) investigation of the fundamental carrier transport dynamics in graphene at femtosecond to picosecond timescales and (2) application of terahertz time-domain spectroscopy...... to rapid and non-contact electrical characterization of large-area graphene, relevant for industrial integration. We show that THz-TDS is an accurate and reliable probe of graphene sheet conductance, and that the technique provides insight into fundamental aspects of the nanoscopic nature of conduction...

  9. Charge and Heat Transport in Polycrystalline Metallic Nanostructures

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xing; TAKAHASHI Koji; FUJII Motoo

    2008-01-01

    Metals are typically good conductors in which the abilities to transport charge and to transport heat can be related through the Wiedemann-Franz law. Here we report on an abnormal charge and heat transport in polyerystalline metallic nanostructures in which the ability to transport charge is weakened more obviously than that to transport heat. We attribute it to the influence of the internal grain boundaries and have formulated a novel relation to predict the thermal conductivity. The Wiedemann-Franz law is then modified to account for the influence of the grain boundaries on the charge and heat transport with the predictions now agreeing well with the measured results.

  10. Tape transport mechanism

    International Nuclear Information System (INIS)

    A device is provided for transporting, in a stepwise manner, tape between a feed reel and takeup reel. An indexer moves across the normal path of the tape displacing it while the tape on the takeup reel side of the indexer is braked. After displacement, the takeup reel takes up the displaced tape while the tape on the feed reel side of the indexer is braked, providing stepwise tape transport in precise intervals determined by the amount of displacement caused by the indexer

  11. Fractal like charge transport in polyaniline nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Nath, Chandrani; Kumar, A., E-mail: ask@tezu.ernet.in

    2013-10-01

    The structural and electrical properties of camphorsulfonic acid (CSA) doped nanotubes, and hydrochloric acid (HCl) doped nanofibers and nanoparticles of polyaniline have been studied as a function of doping level. The crystallinity increases with doping for all the nanostructures. Electrical transport measurements in the temperature range of 5–300 K show an increase in conductivity with doping for the nanostructures. All the nanostructures exhibit metal to insulator (MIT) transition below 40 K. The metallic behavior is ascribed to the electron–electron interaction effects. In the insulating regime of the nanotubes conduction follows the Mott quasi-1D variable range hopping model, whereas the conduction in the nanofibers and nanoparticles occur by variable range hopping of charge carriers among superlocalized states without and with Coulomb interaction, respectively. The smaller dopant size in case of HCl makes the polymer fractal resulting in superlocalization of electronic wave-functions. The confined morphology of the nanoparticles results in effective Coulomb interaction dominating the intersite hopping.

  12. Charge transport in holography with momentum dissipation

    CERN Document Server

    Goutéraux, B

    2014-01-01

    In this work, we examine how charge is transported in a theory where momentum is relaxed by spatially dependent, massless scalars. We analyze the possible IR phases in terms of various scaling exponents and the (ir)relevance of operators in the IR effective holographic theory with a dilaton. We compute the (finite) resistivity and encounter broad families of (in)coherent metals and insulators, characterized by universal scaling behaviour. The optical conductivity at zero temperature and low frequencies exhibits power tails which can decay or blow up, including in the metallic regime, swamping out the contribution from the Drude peak. Their frequency scaling can differ from the resistivity scaling due to the running of the dilaton.

  13. Analysis of electrolyte transport through charged nanopores

    Science.gov (United States)

    Peters, P. B.; van Roij, R.; Bazant, M. Z.; Biesheuvel, P. M.

    2016-05-01

    We revisit the classical problem of flow of electrolyte solutions through charged capillary nanopores or nanotubes as described by the capillary pore model (also called "space charge" theory). This theory assumes very long and thin pores and uses a one-dimensional flux-force formalism which relates fluxes (electrical current, salt flux, and fluid velocity) and driving forces (difference in electric potential, salt concentration, and pressure). We analyze the general case with overlapping electric double layers in the pore and a nonzero axial salt concentration gradient. The 3 ×3 matrix relating these quantities exhibits Onsager symmetry and we report a significant new simplification for the diagonal element relating axial salt flux to the gradient in chemical potential. We prove that Onsager symmetry is preserved under changes of variables, which we illustrate by transformation to a different flux-force matrix given by Gross and Osterle [J. Chem. Phys. 49, 228 (1968), 10.1063/1.1669814]. The capillary pore model is well suited to describe the nonlinear response of charged membranes or nanofluidic devices for electrokinetic energy conversion and water desalination, as long as the transverse ion profiles remain in local quasiequilibrium. As an example, we evaluate electrical power production from a salt concentration difference by reverse electrodialysis, using an efficiency versus power diagram. We show that since the capillary pore model allows for axial gradients in salt concentration, partial loops in current, salt flux, or fluid flow can develop in the pore. Predictions for macroscopic transport properties using a reduced model, where the potential and concentration are assumed to be invariant with radial coordinate ("uniform potential" or "fine capillary pore" model), are close to results of the full model.

  14. Charge Transport in LDPE Nanocomposites Part I—Experimental Approach

    Directory of Open Access Journals (Sweden)

    Anh T. Hoang

    2016-03-01

    Full Text Available This work presents results of bulk conductivity and surface potential decay measurements on low-density polyethylene and its nanocomposites filled with uncoated MgO and Al2O3, with the aim to highlight the effect of the nanofillers on charge transport processes. Material samples at various filler contents, up to 9 wt %, were prepared in the form of thin films. The performed measurements show a significant impact of the nanofillers on reduction of material’s direct current (dc conductivity. The investigations thus focused on the nanocomposites having the lowest dc conductivity. Various mechanisms of charge generation and transport in solids, including space charge limited current, Poole-Frenkel effect and Schottky injection, were utilized for examining the experimental results. The mobilities of charge carriers were deduced from the measured surface potential decay characteristics and were found to be at least two times lower for the nanocomposites. The temperature dependencies of the mobilities were compared for different materials.

  15. Defect states and disorder in charge transport in semiconductor nanowires

    OpenAIRE

    Ko, Dongkyun; Zhao, X. W.; Reddy, Kongara M.; Restrepo, O. D.; Mishra, R; Beloborodov, I. S.; Trivedi, Nandini; Padture, Nitin P.; W. Windl; Yang, F. Y.; Johnston-Halperin, E.

    2011-01-01

    We present a comprehensive investigation into disorder-mediated charge transport in InP nanowires in the statistical doping regime. At zero gate voltage transport is well described by the space charge limited current model and Efros-Shklovskii variable range hopping, but positive gate voltage (electron accumulation) reveals a previously unexplored regime of nanowire charge transport that is not well described by existing theory. The ability to continuously tune between these regimes provides ...

  16. Mechanisms of multidrug transporters

    NARCIS (Netherlands)

    Bolhuis, Henk; Veen, Hendrik W. van; Poolman, Bert; Driessen, Arnold J.M.; Konings, Wil N.

    1997-01-01

    Drug resistance, mediated by various mechanisms, plays a crucial role in the failure of the drug-based treatment of various infectious diseases. As a result, these infectious diseases re-emerge rapidly and cause many victims every year. Another serious threat is imposed by the development of multidr

  17. Transverse charge transport through DNA oligomers in large-area molecular junctions

    Science.gov (United States)

    Katsouras, Ilias; Piliego, Claudia; Blom, Paul W. M.; de Leeuw, Dago M.

    2013-09-01

    We investigate the nature of charge transport in deoxyribonucleic acid (DNA) using self-assembled layers of DNA in large-area molecular junctions. A protocol was developed that yields dense monolayers where the DNA molecules are not standing upright, but are lying flat on the substrate. As a result the charge transport is measured not along the DNA molecules but in the transverse direction, across their diameter. The electrical transport data are consistent with the derived morphology. We demonstrate that the charge transport mechanism through DNA is identical to non-resonant tunneling through alkanethiols with identical length, classifying DNA as a dielectric.

  18. Normal and impaired charge transport in biological systems

    Energy Technology Data Exchange (ETDEWEB)

    Miller, John H., E-mail: jhmiller@uh.edu [Department of Physics & Texas Center for Superconductivity, University of Houston, Houston, TX 77204-5005 (United States); Villagrán, Martha Y. Suárez; Maric, Sladjana [Department of Physics & Texas Center for Superconductivity, University of Houston, Houston, TX 77204-5005 (United States); Briggs, James M. [Department of Biology & Biochemistry, University of Houston, Houston, TX 77204-5001 (United States)

    2015-03-01

    We examine the physics behind some of the causes (e.g., hole migration and localization that cause incorrect base pairing in DNA) and effects (due to amino acid replacements affecting mitochondrial charge transport) of disease-implicated point mutations, with emphasis on mutations affecting mitochondrial DNA (mtDNA). First we discuss hole transport and localization in DNA, including some of our quantum mechanical modeling results, as they relate to certain mutations in cancer. Next, we give an overview of electron and proton transport in the mitochondrial electron transport chain, and how such transport can become impaired by mutations implicated in neurodegenerative diseases, cancer, and other major illnesses. In particular, we report on our molecular dynamics (MD) studies of a leucine→arginine amino acid replacement in ATP synthase, encoded by the T→G point mutation at locus 8993 of mtDNA. This mutation causes Leigh syndrome, a devastating maternally inherited neuromuscular disorder, and has been found to trigger rapid tumor growth in prostate cancer cell lines. Our MD results suggest, for the first time, that this mutation adversely affects water channels that transport protons to and from the c-ring of the rotary motor ATP synthase, thus impairing the ability of the motor to produce ATP. Finally, we discuss possible future research topics for biological physics, such as mitochondrial complex I, a large proton-pumping machine whose physics remains poorly understood.

  19. Normal and impaired charge transport in biological systems

    International Nuclear Information System (INIS)

    We examine the physics behind some of the causes (e.g., hole migration and localization that cause incorrect base pairing in DNA) and effects (due to amino acid replacements affecting mitochondrial charge transport) of disease-implicated point mutations, with emphasis on mutations affecting mitochondrial DNA (mtDNA). First we discuss hole transport and localization in DNA, including some of our quantum mechanical modeling results, as they relate to certain mutations in cancer. Next, we give an overview of electron and proton transport in the mitochondrial electron transport chain, and how such transport can become impaired by mutations implicated in neurodegenerative diseases, cancer, and other major illnesses. In particular, we report on our molecular dynamics (MD) studies of a leucine→arginine amino acid replacement in ATP synthase, encoded by the T→G point mutation at locus 8993 of mtDNA. This mutation causes Leigh syndrome, a devastating maternally inherited neuromuscular disorder, and has been found to trigger rapid tumor growth in prostate cancer cell lines. Our MD results suggest, for the first time, that this mutation adversely affects water channels that transport protons to and from the c-ring of the rotary motor ATP synthase, thus impairing the ability of the motor to produce ATP. Finally, we discuss possible future research topics for biological physics, such as mitochondrial complex I, a large proton-pumping machine whose physics remains poorly understood

  20. Magnetic fields for transporting charged beams

    International Nuclear Information System (INIS)

    The transport of charged particle beams requires magnetic fields that must be shaped correctly and very accurately. During the last 20 years or so, many studies have been made, both analytically and through the use of computer programs, of various magnetic shapes that have proved to be useful. Many of the results for magnetic field shapes can be applied equally well to electric field shapes. A report is given which gathers together the results that have more general significance and would be useful in designing a configuration to produce a desired magnetic field shape. The field shapes studied include the fields in dipoles, quadrupoles, sextupoles, octupoles, septum magnets, combined-function magnets, and electrostatic septums. Where possible, empirical formulas are proposed, based on computer and analytical studies and on magnetic field measurements. These empirical formulas are often easier to use than analytical formulas and often include effects that are difficult to compute analytically. In addition, results given in the form of tables and graphs serve as illustrative examples. The field shapes studied include uniform fields produced by window-frame magnets, C-magnets, H-magnets, and cosine magnets; linear fields produced by various types of quadrupoles; quadratic and cubic fields produced by sextupoles and octupoles; combinations of uniform and linear fields; and septum fields with sharp boundaries

  1. Metal oxide charge transport material doped with organic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Forrest, Stephen R.; Lassiter, Brian E.

    2016-08-30

    Doping metal oxide charge transport material with an organic molecule lowers electrical resistance while maintaining transparency and thus is optimal for use as charge transport materials in various organic optoelectronic devices such as organic photovoltaic devices and organic light emitting devices.

  2. Two-Dimensional Charge Transport in Disordered Organic Semiconductors

    OpenAIRE

    Brondijk, J. J.; Roelofs, WSC Christian; Mathijssen, SGJ Simon; Shehu, A; Cramer, T.; Biscarini, F Fabio; Blom, PWM Paul; Leeuw, van der, R.

    2012-01-01

    We analyze the effect of carrier confinement on the charge-transport properties of organic field-effect transistors. Confinement is achieved experimentally by the use of semiconductors of which the active layer is only one molecule thick. The two-dimensional confinement of charge carriers provides access to a previously unexplored charge-transport regime and is reflected by a reduced temperature dependence of the transfer curves of organic monolayer transistors.

  3. Models for Energy and Charge Transport, and Storage in Biomolecules

    CERN Document Server

    Mingaleev, S F; Gaididei, Yu B; Johansson, M; Rasmussen, K O; Mingaleev, Serge F.; Christiansen, Peter L.; Gaididei, Yuri B.; Johansson, Magnus; Rasmussen, Kim O.

    1999-01-01

    Two models for energy and charge transport and storage in biomolecules are considered. A model based on the discrete nonlinear Schrodinger equation with long-range dispersive interactions (LRI's) between base pairs of DNA is offered for the description of nonlinear dynamics of the DNA molecule. We show that LRI's are responsible for the existence of an interval of bistability where two stable stationary states, a narrow, pinned state and a broad, mobile state, coexist at each value of the total energy. The possibility of controlled switching between pinned and mobile states is demonstrated. The mechanism could be important for controlling energy storage and transport in DNA molecules. Another model is offered for the description of nonlinear excitations in proteins and other anharmonic biomolecules. We show that in the highly anharmonic systems a bound state of Davydov and Boussinesq solitons can exist.

  4. Bipolar resistive switching and charge transport in silicon oxide memristor

    Energy Technology Data Exchange (ETDEWEB)

    Mikhaylov, Alexey N., E-mail: mian@nifti.unn.ru [Lobachevsky State University of Nizhni Novgorod, 23/3 Gagarin Prospect, Nizhni Novgorod 603950 (Russian Federation); Belov, Alexey I.; Guseinov, Davud V.; Korolev, Dmitry S.; Antonov, Ivan N.; Efimovykh, Denis V.; Tikhov, Stanislav V.; Kasatkin, Alexander P.; Gorshkov, Oleg N.; Tetelbaum, David I.; Bobrov, Alexander I.; Malekhonova, Natalia V.; Pavlov, Dmitry A. [Lobachevsky State University of Nizhni Novgorod, 23/3 Gagarin Prospect, Nizhni Novgorod 603950 (Russian Federation); Gryaznov, Evgeny G. [Lobachevsky State University of Nizhni Novgorod, 23/3 Gagarin Prospect, Nizhni Novgorod 603950 (Russian Federation); Sedakov Scientific-Research Institute, GSP-486, Nizhny Novgorod 603950 (Russian Federation); Yatmanov, Alexander P. [Sedakov Scientific-Research Institute, GSP-486, Nizhny Novgorod 603950 (Russian Federation)

    2015-04-15

    Graphical abstract: - Highlights: • Si-based thin-film memristor structure was fabricated by magnetron sputtering. • We study bipolar resistive switching and charge transport mechanisms. • Resistive switching parameters are determined by a balance between redox reactions. - Abstract: Reproducible bipolar resistive switching has been studied in SiO{sub x}-based thin-film memristor structures deposited by magnetron sputtering technique on the TiN/Ti metalized SiO{sub 2}/Si substrates. It is established that, after electroforming, the structure can be switched between the quasi-ohmic low-resistance state related to silicon chains (conducting filaments) and the high-resistance state with semiconductor-like hopping mechanism of charge transport through the defects in silicon oxide. The switching parameters are determined by a balance between the reduction and oxidation processes that, in turn, are driven by the value and polarity of voltage bias, current, temperature and device environment. The results can be used for the development of silicon-based nonvolatile memory and memristive systems as a key component of future electronics.

  5. Bipolar resistive switching and charge transport in silicon oxide memristor

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Si-based thin-film memristor structure was fabricated by magnetron sputtering. • We study bipolar resistive switching and charge transport mechanisms. • Resistive switching parameters are determined by a balance between redox reactions. - Abstract: Reproducible bipolar resistive switching has been studied in SiOx-based thin-film memristor structures deposited by magnetron sputtering technique on the TiN/Ti metalized SiO2/Si substrates. It is established that, after electroforming, the structure can be switched between the quasi-ohmic low-resistance state related to silicon chains (conducting filaments) and the high-resistance state with semiconductor-like hopping mechanism of charge transport through the defects in silicon oxide. The switching parameters are determined by a balance between the reduction and oxidation processes that, in turn, are driven by the value and polarity of voltage bias, current, temperature and device environment. The results can be used for the development of silicon-based nonvolatile memory and memristive systems as a key component of future electronics

  6. Single-step Charge Transport through DNA over Long Distances

    OpenAIRE

    Genereux, Joseph C.; Wuerth, Stephanie M.; Barton, Jacqueline K.

    2011-01-01

    Quantum yields for charge transport across adenine tracts of increasing length have been measured by monitoring hole transport in synthetic oligonucleotides between photoexcited 2-aminopurine, a fluorescent analogue of adenine, and N2-cyclopropyl guanine. Using fluorescence quenching, a measure of hole injection, and hole trapping by the cyclopropyl guanine derivative, we separate the individual contributions of single- and multi-step channels to DNA charge transport, and find that with 7 or ...

  7. DNA charge transport within the cell.

    Science.gov (United States)

    Grodick, Michael A; Muren, Natalie B; Barton, Jacqueline K

    2015-02-01

    The unique characteristics of DNA charge transport (CT) have prompted an examination of roles for this chemistry within a biological context. Not only can DNA CT facilitate long-range oxidative damage of DNA, but redox-active proteins can couple to the DNA base stack and participate in long-range redox reactions using DNA CT. DNA transcription factors with redox-active moieties such as SoxR and p53 can use DNA CT as a form of redox sensing. DNA CT chemistry also provides a means to monitor the integrity of the DNA, given the sensitivity of DNA CT to perturbations in base stacking as arise with mismatches and lesions. Enzymes that utilize this chemistry include an interesting and ever-growing class of DNA-processing enzymes involved in DNA repair, replication, and transcription that have been found to contain 4Fe-4S clusters. DNA repair enzymes containing 4Fe-4S clusters, that include endonuclease III (EndoIII), MutY, and DinG from bacteria, as well as XPD from archaea, have been shown to be redox-active when bound to DNA, share a DNA-bound redox potential, and can be reduced and oxidized at long-range via DNA CT. Interactions between DNA and these proteins in solution, in addition to genetics experiments within Escherichia coli, suggest that DNA-mediated CT can be used as a means of cooperative signaling among DNA repair proteins that contain 4Fe-4S clusters as a first step in finding DNA damage, even within cells. On the basis of these data, we can consider also how DNA-mediated CT may be used as a means of signaling to coordinate DNA processing across the genome. PMID:25606780

  8. Charge transport model to predict intrinsic reliability for dielectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Ogden, Sean P. [Howard P. Isermann Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); GLOBALFOUNDRIES, 400 Stonebreak Rd. Ext., Malta, New York 12020 (United States); Borja, Juan; Plawsky, Joel L., E-mail: plawsky@rpi.edu; Gill, William N. [Howard P. Isermann Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Lu, T.-M. [Department of Physics, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Yeap, Kong Boon [GLOBALFOUNDRIES, 400 Stonebreak Rd. Ext., Malta, New York 12020 (United States)

    2015-09-28

    Several lifetime models, mostly empirical in nature, are used to predict reliability for low-k dielectrics used in integrated circuits. There is a dispute over which model provides the most accurate prediction for device lifetime at operating conditions. As a result, there is a need to transition from the use of these largely empirical models to one built entirely on theory. Therefore, a charge transport model was developed to predict the device lifetime of low-k interconnect systems. The model is based on electron transport and donor-type defect formation. Breakdown occurs when a critical defect concentration accumulates, resulting in electron tunneling and the emptying of positively charged traps. The enhanced local electric field lowers the barrier for electron injection into the dielectric, causing a positive feedforward failure. The charge transport model is able to replicate experimental I-V and I-t curves, capturing the current decay at early stress times and the rapid current increase at failure. The model is based on field-driven and current-driven failure mechanisms and uses a minimal number of parameters. All the parameters have some theoretical basis or have been measured experimentally and are not directly used to fit the slope of the time-to-failure versus applied field curve. Despite this simplicity, the model is able to accurately predict device lifetime for three different sources of experimental data. The simulation's predictions at low fields and very long lifetimes show that the use of a single empirical model can lead to inaccuracies in device reliability.

  9. Charge transport model to predict intrinsic reliability for dielectric materials

    International Nuclear Information System (INIS)

    Several lifetime models, mostly empirical in nature, are used to predict reliability for low-k dielectrics used in integrated circuits. There is a dispute over which model provides the most accurate prediction for device lifetime at operating conditions. As a result, there is a need to transition from the use of these largely empirical models to one built entirely on theory. Therefore, a charge transport model was developed to predict the device lifetime of low-k interconnect systems. The model is based on electron transport and donor-type defect formation. Breakdown occurs when a critical defect concentration accumulates, resulting in electron tunneling and the emptying of positively charged traps. The enhanced local electric field lowers the barrier for electron injection into the dielectric, causing a positive feedforward failure. The charge transport model is able to replicate experimental I-V and I-t curves, capturing the current decay at early stress times and the rapid current increase at failure. The model is based on field-driven and current-driven failure mechanisms and uses a minimal number of parameters. All the parameters have some theoretical basis or have been measured experimentally and are not directly used to fit the slope of the time-to-failure versus applied field curve. Despite this simplicity, the model is able to accurately predict device lifetime for three different sources of experimental data. The simulation's predictions at low fields and very long lifetimes show that the use of a single empirical model can lead to inaccuracies in device reliability

  10. Beam transport and space charge compensation strategies (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Meusel, O., E-mail: o.meusel@iap.uni-frankfurt.de; Droba, M.; Noll, D.; Schulte, K.; Schneider, P. P.; Wiesner, C. [IAP, Goethe University Frankfurt, Frankfurt D-60438 (Germany)

    2016-02-15

    The transport of intense ion beams is affected by the collective behavior of this kind of multi-particle and multi-species system. The space charge expressed by the generalized perveance dominates the dynamical process of thermalisation, which leads to emittance growth. To prevent changes of intrinsic beam properties and to reduce the intensity dependent focusing forces, space charge compensation seems to be an adequate solution. In the case of positively charged ion beams, electrons produced by residual gas ionization and secondary electrons provide the space charge compensation. The influence of the compensation particles on the beam transport and the local degree of space charge compensation is given by different beam properties as well as the ion beam optics. Especially for highly charged ion beams, space charge compensation in combination with poor vacuum conditions leads to recombination processes and therefore increased beam losses. Strategies for providing a compensation-electron reservoir at very low residual gas pressures will be discussed.

  11. Beam transport and space charge compensation strategies (invited).

    Science.gov (United States)

    Meusel, O; Droba, M; Noll, D; Schulte, K; Schneider, P P; Wiesner, C

    2016-02-01

    The transport of intense ion beams is affected by the collective behavior of this kind of multi-particle and multi-species system. The space charge expressed by the generalized perveance dominates the dynamical process of thermalisation, which leads to emittance growth. To prevent changes of intrinsic beam properties and to reduce the intensity dependent focusing forces, space charge compensation seems to be an adequate solution. In the case of positively charged ion beams, electrons produced by residual gas ionization and secondary electrons provide the space charge compensation. The influence of the compensation particles on the beam transport and the local degree of space charge compensation is given by different beam properties as well as the ion beam optics. Especially for highly charged ion beams, space charge compensation in combination with poor vacuum conditions leads to recombination processes and therefore increased beam losses. Strategies for providing a compensation-electron reservoir at very low residual gas pressures will be discussed. PMID:26932109

  12. Beam transport and space charge compensation strategies (invited)

    International Nuclear Information System (INIS)

    The transport of intense ion beams is affected by the collective behavior of this kind of multi-particle and multi-species system. The space charge expressed by the generalized perveance dominates the dynamical process of thermalisation, which leads to emittance growth. To prevent changes of intrinsic beam properties and to reduce the intensity dependent focusing forces, space charge compensation seems to be an adequate solution. In the case of positively charged ion beams, electrons produced by residual gas ionization and secondary electrons provide the space charge compensation. The influence of the compensation particles on the beam transport and the local degree of space charge compensation is given by different beam properties as well as the ion beam optics. Especially for highly charged ion beams, space charge compensation in combination with poor vacuum conditions leads to recombination processes and therefore increased beam losses. Strategies for providing a compensation-electron reservoir at very low residual gas pressures will be discussed

  13. Analysis of electrolyte transport through charged nanopores

    NARCIS (Netherlands)

    Peters, P.B.; Roij, van R.; Bazant, M.Z.; Biesheuvel, P.M.

    2016-01-01

    We revisit the classical problem of flow of electrolyte solutions through charged capillary nanopores or nanotubes as described by the capillary pore model (also called "space charge" theory). This theory assumes very long and thin pores and uses a one-dimensional flux-force formalism which relat

  14. Effects of cytosine methylation on DNA charge transport

    Science.gov (United States)

    Hihath, Joshua; Guo, Shaoyin; Zhang, Peiming; Tao, Nongjian

    2012-04-01

    The methylation of cytosine bases in DNA commonly takes place in the human genome and its abnormality can be used as a biomarker in the diagnosis of genetic diseases. In this paper we explore the effects of cytosine methylation on the conductance of DNA. Although the methyl group is a small chemical modification, and has a van der Waals radius of only 2 Å, its presence significantly changes the duplex stability, and as such may also affect the conductance properties of DNA. To determine if charge transport through the DNA stack is sensitive to this important biological modification we perform multiple conductance measurements on a methylated DNA molecule with an alternating G:C sequence and its non-methylated counterpart. From these studies we find a measurable difference in the conductance between the two types of molecules, and demonstrate that this difference is statistically significant. The conductance values of these molecules are also compared with a similar sequence that has been previously studied to help elucidate the charge transport mechanisms involved in direct DNA conductance measurements.

  15. Controlling polymer translocation and ion transport via charge correlations.

    Science.gov (United States)

    Buyukdagli, Sahin; Ala-Nissila, T

    2014-11-01

    We develop a correlation-corrected transport theory in order to predict ionic and polymer transport properties of membrane nanopores under physical conditions where mean-field electrostatics breaks down. The experimentally observed low KCl conductivity of open α-hemolysin pores is quantitatively explained by the presence of surface polarization effects. Upon the penetration of a DNA molecule into the pore, these polarization forces combined with the electroneutrality of DNA sets a lower boundary for the ionic current, explaining the weak salt dependence of blocked pore conductivities at dilute ion concentrations. The addition of multivalent counterions to the solution results in the reversal of the polymer charge and the direction of the electroosmotic flow. With trivalent spermidine or quadrivalent spermine molecules, the charge inversion is strong enough to stop the translocation of the polymer and to reverse its motion. This mechanism can be used efficiently in translocation experiments in order to improve the accuracy of DNA sequencing by minimizing the translocation velocity of the polymer. PMID:25310861

  16. Symmetrization of mathematical model of charge transport in semiconductors

    Directory of Open Access Journals (Sweden)

    Alexander M. Blokhin

    2002-11-01

    Full Text Available A mathematical model of charge transport in semiconductors is considered. The model is a quasilinear system of differential equations. A problem of finding an additional entropy conservation law and system symmetrization are solved.

  17. Congestion charge as the regulatory tool of a transport system

    OpenAIRE

    Chlaň, Alexander; Lejsková, Pavla

    2010-01-01

    Congestion increases private transport costs and contributes to the decline of public transport service. While these two phenomena are logically connected, in most cities they are institutionally and financially separated. In principle, vehicular users of congested urban road space should be charged a price at least equal to the short-run marginal cost of use, including congestion, road wear and tear, and environmental impacts. Charging for road infrastructure is the core of a strategy ...

  18. Fixed Charge Capacitated Non-Linear Transportation Problem

    OpenAIRE

    Das, Atanu; Basu, Manjusri; Acharya, Debiprasad

    2013-01-01

    The fixed charge (fixed cost) may present the cost of renting a vehicle, landing fees in an airport, setup cost for machines in a manufacturing environment, etc. In this paper, we discuss fixed charge capacitated in a non-linear transportation problem. Thereby, we establish local optimum condition of this problem. Next we establish an algorithm for solving this transportation problem. Also, we illustrate a numerical example to support this algorithm

  19. Nonlinear charge transport in DNA mediated by twist modes

    OpenAIRE

    Palmero, F.; Archilla, J. F. R.; Hennig, D.; Romero, F. R.

    2003-01-01

    Recent works on localized charge transport along DNA, based on a three--dimensional, tight--binding model (Eur. Phys. J. B 30:211, 2002; Phys. D 180:256, 2003), suggest that charge transport is mediated by the coupling of the radial and electron variables. However, these works are based on a linear approximation of the distances among nucleotides, which forces for consistency the assumption that the parameter $\\alpha$, that describes the coupling between the transfer integral and the distance...

  20. Probing spin-charge separation using spin transport

    OpenAIRE

    Si, Qimiao

    2000-01-01

    Pedagogical discussions are given on what constitutes a signature of spin-charge separation. A proposal is outlined to probe spin-charge separation in the normal state of the high $T_c$ cuprates using spin transport. Specifically, the proposal is to compare the temperature dependences of the spin resistivity and electrical resistivity: Spin-charge separation will be manifested in the different temperature dependences of these two resistivities. We also estimate the spin diffusion length and s...

  1. Charge transport in single CuO nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Junnan; Yin, Bo; Wu, Fei; Myung, Yoon; Banerjee, Parag, E-mail: parag.banerjee@wustl.edu [Department of Mechanical Engineering and Materials Science, One Brookings Drive, Washington University, St. Louis, Missouri 63130 (United States)

    2014-11-03

    Charge transport in single crystal, p-type cupric oxide (CuO) nanowire (NW) was studied through temperature based (120 K–400 K) current-voltage measurements. CuO NW with a diameter of 85 nm was attached to Au electrodes 2.25 μm apart, using dielectrophoresis. At low electrical field (<0.89 × 10{sup 3 }V/cm), an ohmic conduction is observed with an activation energy of 272 meV. The injected electrons fill traps with an average energy, E{sub T} = 26.6 meV and trap density, N{sub T} = 3.4 × 10{sup 15 }cm{sup −3}. After the traps are saturated, space charge limited current mechanism becomes dominant. For 120 K ≤ T ≤ 210 K phonon scattering limits mobility. For T ≥ 220 K, a thermally activated mobility is observed and is attributed to small polaron hopping with an activation energy of 44 meV. This mechanism yields a hole mobility of 0.0015 cm{sup 2}/V s and an effective hole concentration of 4 × 10{sup 18 }cm{sup −3} at 250 K.

  2. Anisotropic charge transport in flavonoids as organic semiconductors

    Science.gov (United States)

    Hou, Chunyuan; Chen, Xin

    2015-03-01

    A quantum mechanical approach has been used to investigate on the potential for using two naturally occurring flavonoids: quercetin and luteolin as candidates for organic semiconductor. Selection of flavonoids enables to evaluate the effects of hydroxyl group structural features. The relationship between molecular packing and charge transport in flavonoids is presented. The calculated results indicate that quercetin should be an ideal candidate as high-performance p-type organic semiconductor material, while luteolin is predicted as n-type organic semiconductor material. The predicted maximum electron mobility value of quercetin is 0.075 cm2 V-1 s-1, which appears at the orientation angle near 91°/271° of conducting channel on the reference planes b-c. Theoretical investigation of natural semiconductors is helpful for designing higher performance electronic materials used in biochemical and industrial field to replace expensive and rare organic materials.

  3. Rare-earth free p-type filled skutterudites: Mechanisms for low thermal conductivity and effects of Fe/Co ratio on the band structure and charge transport

    International Nuclear Information System (INIS)

    A key driver of cost for a thermoelectric generator is the thermoelectric materials themselves, and the heavy reliance on rare earth (RE) elements as fillers, particularly for p-type formulations, represents a strategic risk. In the present study, we have investigated fully filled p-type skutterudites with nominal compositions CaFexCo4−xSb12 (2 ⩽ x ⩽ 3.5) using both experimental and theoretical methods. High purity samples were successfully synthesized using a combined melt-spinning (MS) and spark plasma sintering (SPS) technique. Structural analysis confirmed phase-pure samples with high filling fraction (>90%), homogeneous filler and transition metal distribution, and exceptionally low levels of oxygen contamination. Electrical and thermal transport property measurements revealed large power factors and unexpectedly low thermal conductivities. Electronic band structure calculations found a rapid increase in the density of states at the Fermi level with increasing Fe content. The large power factors observed in this system are attributable to this effect. Maximum zT of 0.9 was achieved in CaFe3CoSb12 at 773 K. To understand the low lattice thermal conductivity in these compounds, lattice dynamics calculations were performed. The small size of Ca atoms and their concomitantly weak interactions with the surrounding Sb atoms result in a small force constant between fillers and the host, giving rise to a heretofore unreported low frequency optical phonon mode. This low frequency mode at 7 meV is in addition to the previously described mode at 17 meV identified by modeling the Ca as a simple harmonic oscillator. The lower energy phonon mode imparted by Ca filling results in a comparable lattice thermal conductivity reduction to early lanthanide species such as La

  4. Interplays between charge and electric field in perovskite solar cells: charge transport, recombination and hysteresis

    OpenAIRE

    Shi, Jiangjian; Zhang, Huiyin; Xu, Xin; Li, Dongmei; Luo, Yanhong; Meng, Qingbo

    2016-01-01

    Interplays between charge and electric field, which play a critical role in determining the charge transport, recombination, storage and hysteresis in the perovskite solar cell, have been systematically investigated by both electrical transient experiments and theoretical calculations. It is found that the light illumination can increase the carrier concentration in the perovskite absorber, thus enhancing charge recombination and causing the co-existence of high electric field and free carrie...

  5. Membranes, mechanics, and intracellular transport

    Science.gov (United States)

    Parthasarathy, Raghuveer

    2012-10-01

    Cellular membranes are remarkable materials -- self-assembled, flexible, two-dimensional fluids. Understanding how proteins manipulate membrane curvature is crucial to understanding the transport of cargo in cells, yet the mechanical activities of trafficking proteins remain poorly understood. Using an optical-trap based assay involving dynamic deformation of biomimetic membranes, we have examined the behavior of Sar1, a key component of the COPII family of transport proteins. We find that Sar1 from yeast (S. cerevisiae) lowers membrane rigidity by up to 100% as a function of its concentration, thereby lowering the energetic cost of membrane deformation. Human Sar1 proteins can also lower the mechanical rigidity of the membranes to which they bind. However, unlike the yeast proteins, the rigidity is not a monotonically decreasing function of concentration but rather shows increased rigidity and decreased mobility at high concentrations that implies interactions between proteins. In addition to describing this study of membrane mechanics, I'll also discuss some topics relevant to a range of biophysical investigations, such as the insights provided by imaging methods and open questions in the dynamics of multicellular systems.

  6. Conformation sensitive charge transport in conjugated polymers

    OpenAIRE

    Andersson, Mattias; Hedstrom, Svante; Persson, Petter

    2013-01-01

    Temperature dependent charge carrier mobility measurements using field effect transistors and density functional theory calculations are combined to show how the conformation dependent frontier orbital delocalization influences the hole-and electron mobilities in a donor-acceptor based polymer. A conformationally sensitive lowest unoccupied molecular orbital results in an electron mobility that decreases with increasing temperature above room temperature, while a conformationally stable highe...

  7. Charge Transport Phenomena in Peptide Molecular Junctions

    International Nuclear Information System (INIS)

    Inelastic electron tunneling spectroscopy (IETS) is a valuable in situ spectroscopic analysis technique that provides a direct portrait of the electron transport properties of a molecular species. In the past, IETS has been applied to small molecules. Using self-assembled nano electronic junctions, IETS was performed for the first time on a large polypeptide protein peptide in the phosphorylated and native form, yielding interpretable spectra. A reproducible 10-fold shift of the I/V characteristics of the peptide was observed upon phosphorylation. Phosphorylation can be utilized as a site-specific modification to alter peptide structure and thereby influence electron transport in peptide molecular junctions. It is envisioned that kinases and phosphatases may be used to create tunable systems for molecular electronics applications, such as biosensors and memory devices.

  8. Charge Transport Phenomena in Peptide Molecular Junctions

    Directory of Open Access Journals (Sweden)

    Alessandra Luchini

    2008-01-01

    Full Text Available Inelastic electron tunneling spectroscopy (IETS is a valuable in situ spectroscopic analysis technique that provides a direct portrait of the electron transport properties of a molecular species. In the past, IETS has been applied to small molecules. Using self-assembled nanoelectronic junctions, IETS was performed for the first time on a large polypeptide protein peptide in the phosphorylated and native form, yielding interpretable spectra. A reproducible 10-fold shift of the I/V characteristics of the peptide was observed upon phosphorylation. Phosphorylation can be utilized as a site-specific modification to alter peptide structure and thereby influence electron transport in peptide molecular junctions. It is envisioned that kinases and phosphatases may be used to create tunable systems for molecular electronics applications, such as biosensors and memory devices.

  9. Charge Transport Properties in Polymer Brushes

    Science.gov (United States)

    Moog, Mark; Tsui, Frank; Vonwald, Ian; You, Wei

    Electrical transport properties in poly(3-methyl)thiophene (P3MT) brushes have been studied. The P3MT brushes correspond to a new type of surface-tethered, vertically oriented conjugated molecular wires, sandwiched between two metallic electrodes to form the electrode-molecule-electrode (EME) devices. P3MT is a highly conjugated polymer, a ''workhorse'' material for organic electronics and photonics. The P3MT brushes were grown on ITO surfaces with controlled length (between 2 and 100 nm). The top electrodes were transfer-printed Au films with lateral dimensions between 200 nm and 50 μm. I-V and differential conductance measurements were performed using conductive AFM and 4-terminal techniques. Tunneling and field-emission measurements in EME devices with molecular lengths mobility and the interplay between intra- and intermolecular transport have been investigated.

  10. Charge redistribution and transport in molecular contacts

    Czech Academy of Sciences Publication Activity Database

    Corso, A.; Ondráček, Martin; Lotze, C.; Hapala, Prokop; Franke, K.J.; Jelínek, Pavel; Pascual, I.

    2015-01-01

    Roč. 115, č. 13 (2015), "136101-1"-"136101-5". ISSN 0031-9007 R&D Projects: GA ČR(CZ) GA14-02079S Grant ostatní: AV ČR(CZ) M100101207 Institutional support: RVO:68378271 Keywords : AFM * molecular transport * STM * DFT * molecular junction * tunneling Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.512, year: 2014

  11. Formation of charged nanoparticles in hydrocarbon flames: principal mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Starik, A M; Savel' ev, A M; Titova, N S [Central Institute of Aviation Motors, 2 Aviamotornaya st., 111116 Moscow (Russian Federation)], E-mail: star@ciam.ru

    2008-11-01

    The processes of charged gaseous and particulate species formation in sooting hydrocarbon/air flame are studied. The original kinetic model, comprising the chemistry of neutral and charged gaseous species, generation of primary clusters, which then undergo charging due to attachment of ions and electrons to clusters and via thermoemission, and coagulation of charged-charged, charged-neutral and neutral-neutral particles, is reported. The analysis shows that the principal mechanisms of charged particle origin in hydrocarbon flames are associated with the attachment of ions and electrons produced in the course of chemoionization reactions to primary small clusters and particles and coagulation via charged-charged and charged-neutral particle interaction. Thermal ionization of particles does not play a significant role in the particle charging.

  12. Formation of charged nanoparticles in hydrocarbon flames: principal mechanisms

    Science.gov (United States)

    Starik, A. M.; Savel'ev, A. M.; Titova, N. S.

    2008-11-01

    The processes of charged gaseous and particulate species formation in sooting hydrocarbon/air flame are studied. The original kinetic model, comprising the chemistry of neutral and charged gaseous species, generation of primary clusters, which then undergo charging due to attachment of ions and electrons to clusters and via thermoemission, and coagulation of charged-charged, charged-neutral and neutral-neutral particles, is reported. The analysis shows that the principal mechanisms of charged particle origin in hydrocarbon flames are associated with the attachment of ions and electrons produced in the course of chemoionization reactions to primary small clusters and particles and coagulation via charged-charged and charged-neutral particle interaction. Thermal ionization of particles does not play a significant role in the particle charging. This paper was presented at the Third International Symposium on Nonequilibrium Process, combustion, and Atmospheric Phenomena (Dagomys, Sochi, Russia, 25-29 June 2007).

  13. Formation of charged nanoparticles in hydrocarbon flames: principal mechanisms

    International Nuclear Information System (INIS)

    The processes of charged gaseous and particulate species formation in sooting hydrocarbon/air flame are studied. The original kinetic model, comprising the chemistry of neutral and charged gaseous species, generation of primary clusters, which then undergo charging due to attachment of ions and electrons to clusters and via thermoemission, and coagulation of charged-charged, charged-neutral and neutral-neutral particles, is reported. The analysis shows that the principal mechanisms of charged particle origin in hydrocarbon flames are associated with the attachment of ions and electrons produced in the course of chemoionization reactions to primary small clusters and particles and coagulation via charged-charged and charged-neutral particle interaction. Thermal ionization of particles does not play a significant role in the particle charging.

  14. Production, transport and charge capture measurements of highly charged recoil ions

    International Nuclear Information System (INIS)

    An experiment is described to study highly charged recoil ions on-line to the heavy ion accelerator UNILAC at GSI. The highly charged recoil ions are produced by heavy ion bombardment of a gas target. Subsequently the slow highly charged recoil ions are extracted from the ionization volume, and guided through a beam transport line to a Wien filter for charge state selection and to a collision region to study charge transfer processes. Several experiments were carried out to show the efficient charge state separation. Charge states up to q=15 were observed. When using a retarding field analyzer cross sections for single electron capture were determined for different charge states of Xeq+ for q=4 to 11 and He gas. The experiments demonstrated increasing charge transfer cross sections with increasing charge state q and indicated the effect of near resonant charge capture for q=6. The flexible data acquisition system used, is described and other future experiments, such as for instance in flight ion-trapping are indicated in the appendix. (orig.)

  15. Analysis of electrolyte transport through charged nanopores

    CERN Document Server

    Peters, P B; Bazant, M Z; Biesheuvel, P M

    2015-01-01

    We revisit the classical problem of the flow of an electrolyte solution through charged capillaries (nanopores). In the limit where the length of the capillary is much larger than its radius, the problem can be simplified to a one-dimensional averaged flux-force formalism that relates the relevant fluxes (electrical current, salt flux, fluid velocity) to their respective driving forces (difference in electric potential, salt concentration, pressure). Calculations in literature mainly consider the limit of non-overlapping electrical double layers (EDLs) in the pores and the absence of salt concentration gradients in the axial direction. In the present work these simplifications are relaxed and we discuss the general case with overlapping EDLs and nonzero axial salt concentration gradients. The 3x3 matrix that relates these quantities exhibits Onsager symmetry and for one of the cross coefficients we report a new significant simplification. We describe how Onsager symmetry is preserved under change of variables...

  16. Base pair dynamic assisted charge transport in DNA

    OpenAIRE

    Kats, E. I.; Lebedev, V. V.

    2002-01-01

    An 1d model with time-dependent random hopping is proposed to describe charge transport in DNA. It admits to investigate both diffusion of electrons and their tunneling between different sites in DNA. The tunneling appears to be strongly temperature-dependent. Observations of a strong (exponential) as well as a weak distance dependence of the charge transfer in DNA can be explained in the framework of our model.

  17. DNA Charge Transport: Conformationally Gated Hopping through Stacked Domains

    OpenAIRE

    O'Neill, Melanie A.; Barton, Jacqueline K.

    2004-01-01

    The role of base motions in delocalization and propagation of charge through double helical DNA must be established experimentally and incorporated into mechanistic descriptions of DNA-mediated charge transport (CT). Here, we address these fundamental issues by examining the temperature dependence of the yield of CT between photoexcited 2-aminopurine (Ap*) and G through DNA bridges of varied length and sequence. DNA assemblies (35-mers) were constructed containing adenine bridges Ap(A)_nG (n ...

  18. Monte Carlo simulations of charge transport in heterogeneous organic semiconductors

    Science.gov (United States)

    Aung, Pyie Phyo; Khanal, Kiran; Luettmer-Strathmann, Jutta

    2015-03-01

    The efficiency of organic solar cells depends on the morphology and electronic properties of the active layer. Research teams have been experimenting with different conducting materials to achieve more efficient solar panels. In this work, we perform Monte Carlo simulations to study charge transport in heterogeneous materials. We have developed a coarse-grained lattice model of polymeric photovoltaics and use it to generate active layers with ordered and disordered regions. We determine carrier mobilities for a range of conditions to investigate the effect of the morphology on charge transport.

  19. A Simple Index for Characterizing Charge Transport in Molecular Materials.

    Science.gov (United States)

    Jackson, Nicholas E; Savoie, Brett M; Chen, Lin X; Ratner, Mark A

    2015-03-19

    While advances in quantum chemistry have rendered the accurate prediction of band alignment relatively straightforward, the ability to forecast a noncrystalline, multimolecule system's conductivity possesses no simple computational form. Adapting the theory of classical resistor networks, we develop an index for quantifying charge transport in bulk molecular materials, without the requirement of crystallinity. The basic behavior of this index is illustrated through its application to simple lattices and clusters of common organic photovoltaic molecules, where it is shown to reproduce experimentally known performances for these materials. This development provides a quantitative computational means for determining a priori the bulk charge transport properties of molecular materials. PMID:26262862

  20. Modeling Transport in Ultrathin Si Nanowires: Charged versus Neutral Impurities

    DEFF Research Database (Denmark)

    Rurali, Riccardo; Markussen, Troels; Suné, Jordi;

    2008-01-01

    Abstract: At room temperature dopants in semiconducting nanowires are ionized. We show that the long-range electrostatic potential due to charged dopants has a dramatic impact on the transport properties in ultrathin wires and can virtually block minority carriers. Our quantitative estimates of...... this effect are obtained by computing the electronic transmission through wires with either charged or neutral P and B dopants. The dopant potential is obtained from density functional theory (DFT) calculations. Contrary to the neutral case, the transmission through charged dopants cannot be converged...

  1. Activationless charge transport across 4.5 to 22 nm in molecular electronic junctions.

    Science.gov (United States)

    Yan, Haijun; Bergren, Adam Johan; McCreery, Richard; Della Rocca, Maria Luisa; Martin, Pascal; Lafarge, Philippe; Lacroix, Jean Christophe

    2013-04-01

    In this work, we bridge the gap between short-range tunneling in molecular junctions and activated hopping in bulk organic films, and greatly extend the distance range of charge transport in molecular electronic devices. Three distinct transport mechanisms were observed for 4.5-22-nm-thick oligo(thiophene) layers between carbon contacts, with tunneling operative when d  16 nm for high temperatures and low bias, and a third mechanism consistent with field-induced ionization of highest occupied molecular orbitals or interface states to generate charge carriers when d = 8-22 nm. Transport in the 8-22-nm range is weakly temperature dependent, with a field-dependent activation barrier that becomes negligible at moderate bias. We thus report here a unique, activationless transport mechanism, operative over 8-22-nm distances without involving hopping, which severely limits carrier mobility and device lifetime in organic semiconductors. Charge transport in molecular electronic junctions can thus be effective for transport distances significantly greater than the 1-5 nm associated with quantum-mechanical tunneling. PMID:23509271

  2. Charge Transport across DNA-Based Three-Way Junctions.

    Science.gov (United States)

    Young, Ryan M; Singh, Arunoday P N; Thazhathveetil, Arun K; Cho, Vincent Y; Zhang, Yuqi; Renaud, Nicolas; Grozema, Ferdinand C; Beratan, David N; Ratner, Mark A; Schatz, George C; Berlin, Yuri A; Lewis, Frederick D; Wasielewski, Michael R

    2015-04-22

    DNA-based molecular electronics will require charges to be transported from one site within a 2D or 3D architecture to another. While this has been shown previously in linear, π-stacked DNA sequences, the dynamics and efficiency of charge transport across DNA three-way junction (3WJ) have yet to be determined. Here, we present an investigation of hole transport and trapping across a DNA-based three-way junction systems by a combination of femtosecond transient absorption spectroscopy and molecular dynamics simulations. Hole transport across the junction is proposed to be gated by conformational fluctuations in the ground state which bring the transiently populated hole carrier nucleobases into better aligned geometries on the nanosecond time scale, thus modulating the π-π electronic coupling along the base pair sequence. PMID:25822073

  3. Optimizing interactive program for charged particle transport system design

    International Nuclear Information System (INIS)

    A computer program for charged particle transport system design is described. The program is written in the BASIC language and allows one to make calculations in dialogue with the computer. The BASTRA program permits to get output information both in digital and in graphical forms. The method for optimization is described, that allows one to put 10 limitation on beam parameters in arbitrary places of the transport system. The program can be adapted on every computer having the BASIC language in its software

  4. The telegraph equation in charged particle transport

    Science.gov (United States)

    Gombosi, T. I.; Jokipii, J. R.; Kota, J.; Lorencz, K.; Williams, L. L.

    1993-01-01

    We present a new derivation of the telegraph equation which modifies its coefficients. First, an infinite order partial differential equation is obtained for the velocity space solid angle-averaged phase-space distribution of particles which underwent at least a few collisions. It is shown that, in the lowest order asymptotic expansion, this equation simplifies to the well-known diffusion equation. The second-order asymptotic expansion for isotropic small-angle scattering results in a modified telegraph equation with a signal propagation speed of v(5/11) exp 1/2 instead of the usual v/3 exp 1/2. Our derivation of a modified telegraph equation follows from an expansion of the Boltzmann equation in the relevant smallness parameters and not from a truncation of an eigenfunction expansion. This equation is consistent with causality. It is shown that, under steady state conditions in a convecting plasma, the telegraph equation may be regarded as a diffusion equation with a modified transport coefficient, which describes a combination of diffusion and cosmic-ray inertia.

  5. Charge transport in dye-sensitized solar cell

    International Nuclear Information System (INIS)

    The effect of charge transport on the photovoltaic properties of dye-sensitized solar cells (DSCs) was investigated by the experimental results and the ion transport. The short current photocurrent density (Jsc) is determined by the electron transport in porous TiO2 when the diffusion limited current (Jdif) due to the I3− transport is larger than the photo-generated electron flux (Jg) estimated from the light harvesting efficiency of dye-sensitized porous TiO2 and the solar spectrum. However, the Jsc value is determined by the ion transport in the electrolyte solution at Jdif < Jg. The J value becomes constant against light intensity, and is expressed as the saturated current (Jscs). The Js value depends on the thickness (d) of the TiO2 layer, the initial concentration (COX0), and the diffusion coefficient (DOXb) of I3−. These suitable parameters were determined by using the ion transport. (paper)

  6. Analysis of Charge Carrier Transport in Organic Photovoltaic Active Layers

    Science.gov (United States)

    Han, Xu; Maroudas, Dimitrios

    2015-03-01

    We present a systematic analysis of charge carrier transport in organic photovoltaic (OPV) devices based on phenomenological, deterministic charge carrier transport models. The models describe free electron and hole transport, trapping, and detrapping, as well as geminate charge-pair dissociation and geminate and bimolecular recombination, self-consistently with Poisson's equation for the electric field in the active layer. We predict photocurrent evolution in devices with active layers of P3HT, P3HT/PMMA, and P3HT/PS, as well as P3HT/PCBM blends, and photocurrent-voltage (I-V) relations in these devices at steady state. Charge generation propensity, zero-field charge mobilities, and trapping, detrapping, and recombination rate coefficients are determined by fitting the modeling predictions to experimental measurements. We have analyzed effects of the active layer morphology for layers consisting of both pristine drop-cast films and of nanoparticle (NP) assemblies, as well as effects on device performance of insulating NP doping in conducting polymers and of specially designed interlayers placed between an electrode and the active layer. The model predictions provide valuable input toward synthesis of active layers with prescribed morphology that optimize OPV device performance.

  7. Charge transport and memristive properties of graphene quantum dots embedded in poly(3-hexylthiophene) matrix

    International Nuclear Information System (INIS)

    We show that graphene quantum dots (GQD) embedded in a semiconducting poly(3-hexylthiophene) polymeric matrix act as charge trapping nanomaterials. In plane current-voltage (I-V) measurements of thin films realized from this nanocomposite deposited on gold interdigitated electrodes revealed that the GQD enhanced dramatically the hole transport. I-V characteristics exhibited a strong nonlinear behavior and a pinched hysteresis loop, a signature of a memristive response. The transport properties of this nanocomposite were explained in terms of a trap controlled space charge limited current mechanism.

  8. Improving charge transport property and energy transfer with carbon quantum dots in inverted polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chunyu; Chang, Kaiwen; Guo, Wenbin, E-mail: guowb@jlu.edu.cn, E-mail: chenwy@jlu.edu.cn, E-mail: dawei.yan@hotmail.com; Li, Hao; Shen, Liang [State Key Laboratory on Integrated Optoelectronics, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Chen, Weiyou, E-mail: guowb@jlu.edu.cn, E-mail: chenwy@jlu.edu.cn, E-mail: dawei.yan@hotmail.com [College of Electronic Science and Engineering, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Yan, Dawei, E-mail: guowb@jlu.edu.cn, E-mail: chenwy@jlu.edu.cn, E-mail: dawei.yan@hotmail.com [Research Center of Laser Fusion, CAEP, P.O. Box 919-983, Mianyang 621900 (China)

    2014-08-18

    Carbon quantum dots (Cdots) are synthesized by a simple method and introduced into active layer of polymer solar cells (PSCs). The performance of doped devices was apparently improved, and the highest power conversion efficiency of 7.05% was obtained, corresponding to a 28.2% enhancement compared with that of the contrast device. The charge transport properties, resistance, impedance, and transient absorption spectrum are systematically investigated to explore how the Cdots affect on PSCs performance. This study reveals the importance of Cdots in enhancing the efficiency of PSCs and gives insight into the mechanism of charge transport improvement.

  9. Charge transport in disordered organic field-effect transistors

    NARCIS (Netherlands)

    Tanase, C; Blom, PWM; Meijer, EJ; de Leeuw, DM; Jabbour, GE; Carter, SA; Kido, J; Lee, ST; Sariciftci, NS

    2002-01-01

    The transport properties of poly(2,5-thienylene vinylene) (PTV) field-effect transistors (FET) have been investigated as a function of temperature under controlled atmosphere. In a disordered semiconductor as PTV the charge carrier mobility, dominated by hopping between localized states, is dependen

  10. On the Structure of the Fixed Charge Transportation Problem

    Science.gov (United States)

    Kowalski, K.

    2005-01-01

    This work extends the theory of the fixed charge transportation problem (FCTP), currently based mostly on a forty-year-old publication by Hirsch and Danzig. This paper presents novel properties that need to be considered by those using existing, or those developing new methods for optimizing FCTP. It also defines the problem in an easier way,…

  11. Charge transport in silicon nanocrystal superlattices in the terahertz regime

    Czech Academy of Sciences Publication Activity Database

    Němec, Hynek; Zajac, Vít; Kužel, Petr; Malý, P.; Gutsch, S.; Hiller, D.; Zacharias, M.

    2015-01-01

    Roč. 91, č. 19 (2015), "195443-1"-"195443-10". ISSN 1098-0121 R&D Projects: GA ČR GA13-12386S Institutional support: RVO:68378271 Keywords : silicon nanocrystals * charge transport * terahertz spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  12. Charge transport in disordered semiconducting polymers driven by nuclear tunneling

    Science.gov (United States)

    van der Kaap, N. J.; Katsouras, I.; Asadi, K.; Blom, P. W. M.; Koster, L. J. A.; de Leeuw, D. M.

    2016-04-01

    The current density-voltage (J -V ) characteristics of hole-only diodes based on poly(2-methoxy, 5-(2' ethyl-hexyloxy)-p -phenylene vinylene) (MEH-PPV) were measured at a wide temperature and field range. At high electric fields the temperature dependence of the transport vanishes, and all J -V sweeps converge to a power law. Nuclear tunneling theory predicts a power law at high fields that scales with the Kondo parameter. To model the J -V characteristics we have performed master-equation calculations to determine the dependence of charge carrier mobility on electric field, charge carrier density, temperature, and Kondo parameter, using nuclear tunneling transfer rates. We demonstrate that nuclear tunneling, unlike other semiclassical models, provides a consistent description of the charge transport for a large bias, temperature, and carrier density range.

  13. Charge transport properties of CdMnTe radiation detectors

    Directory of Open Access Journals (Sweden)

    Prokopovich D. A.

    2012-10-01

    Full Text Available Growth, fabrication and characterization of indium-doped cadmium manganese telluride (CdMnTe radiation detectors have been described. Alpha-particle spectroscopy measurements and time resolved current transient measurements have yielded an average charge collection efficiency approaching 100 %. Spatially resolved charge collection efficiency maps have been produced for a range of detector bias voltages. Inhomogeneities in the charge transport of the CdMnTe crystals have been associated with chains of tellurium inclusions within the detector bulk. Further, it has been shown that the role of tellurium inclusions in degrading charge collection is reduced with increasing values of bias voltage. The electron drift velocity was calculated from the rise time distribution of the preamplifier output pulses at each measured bias. From the dependence of drift velocity on applied electric field the electron mobility was found to be μn = (718 ± 55 cm2/Vs at room temperature.

  14. Ion Transport through Diffusion Layer Controlled by Charge Mosaic Membrane

    Directory of Open Access Journals (Sweden)

    Akira Yamauchi

    2012-01-01

    Full Text Available The kinetic transport behaviors in near interface of the membranes were studied using commercial anion and cation exchange membrane and charge mosaic membrane. Current-voltage curve gave the limiting current density that indicates the ceiling of conventional flux. From chronopotentiometry above the limiting current density, the transition time was estimated. The thickness of boundary layer was derived with conjunction with the conventional limiting current density and the transition time from steady state flux. On the other hand, the charge mosaic membrane was introduced in order to examine the ion transport on the membrane surface in detail. The concentration profile was discussed by the kinetic transport number with regard to the water dissociation (splitting on the membrane surface.

  15. Transport mechanism of a glutamate transporter homologue GltPh

    Science.gov (United States)

    Ji, Yurui; Postis, Vincent L.G.; Wang, Yingying; Bartlam, Mark; Goldman, Adrian

    2016-01-01

    Glutamate transporters are responsible for uptake of the neurotransmitter glutamate in mammalian central nervous systems. Their archaeal homologue GltPh, an aspartate transporter isolated from Pyrococcus horikoshii, has been the focus of extensive studies through crystallography, MD simulations and single-molecule FRET (smFRET). Here, we summarize the recent research progress on GltPh, in the hope of gaining some insights into the transport mechanism of this aspartate transporter. PMID:27284058

  16. Short chain molecular junctions: Charge transport versus dipole moment

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • The role of dipole moment of organic molecules on molecular junctions has been studied. • Molecular junctions constituted using propargyl molecules of different dipole moments. • The electronic properties of the molecules were calculated using Gaussian software. • Junctions show varying rectification due to their varying dipole moment and orientation. - Abstract: The investigation of the influence of dipole moment of short chain organic molecules having three carbon atoms varying in end group on silicon surface was carried on. Here, we use three different molecules of propargyl series varying in dipole moment and its orientation to constitute molecular junctions. The charge transport mechanism in metal–molecules–semiconductor (MMS) junction obtained from current–voltage (I–V) characteristics shows the rectification behavior for two junctions whereas the other junction shows a weak rectification. The electronic properties of the molecules were calculated using Gaussian software package. The observed rectification behavior of these junctions is examined and found to be accounted to the orientation of dipole moment and electron cloud density distribution inside the molecules

  17. New Perspectives on the Charging Mechanisms of Supercapacitors.

    Science.gov (United States)

    Forse, Alexander C; Merlet, Céline; Griffin, John M; Grey, Clare P

    2016-05-11

    Supercapacitors (or electric double-layer capacitors) are high-power energy storage devices that store charge at the interface between porous carbon electrodes and an electrolyte solution. These devices are already employed in heavy electric vehicles and electronic devices, and can complement batteries in a more sustainable future. Their widespread application could be facilitated by the development of devices that can store more energy, without compromising their fast charging and discharging times. In situ characterization methods and computational modeling techniques have recently been developed to study the molecular mechanisms of charge storage, with the hope that better devices can be rationally designed. In this Perspective, we bring together recent findings from a range of experimental and computational studies to give a detailed picture of the charging mechanisms of supercapacitors. Nuclear magnetic resonance experiments and molecular dynamics simulations have revealed that the electrode pores contain a considerable number of ions in the absence of an applied charging potential. Experiments and computer simulations have shown that different charging mechanisms can then operate when a potential is applied, going beyond the traditional view of charging by counter-ion adsorption. It is shown that charging almost always involves ion exchange (swapping of co-ions for counter-ions), and rarely occurs by counter-ion adsorption alone. We introduce a charging mechanism parameter that quantifies the mechanism and allows comparisons between different systems. The mechanism is found to depend strongly on the polarization of the electrode, and the choice of the electrolyte and electrode materials. In light of these advances we identify new directions for supercapacitor research. Further experimental and computational work is needed to explain the factors that control supercapacitor charging mechanisms, and to establish the links between mechanisms and performance

  18. New Perspectives on the Charging Mechanisms of Supercapacitors

    Science.gov (United States)

    2016-01-01

    Supercapacitors (or electric double-layer capacitors) are high-power energy storage devices that store charge at the interface between porous carbon electrodes and an electrolyte solution. These devices are already employed in heavy electric vehicles and electronic devices, and can complement batteries in a more sustainable future. Their widespread application could be facilitated by the development of devices that can store more energy, without compromising their fast charging and discharging times. In situ characterization methods and computational modeling techniques have recently been developed to study the molecular mechanisms of charge storage, with the hope that better devices can be rationally designed. In this Perspective, we bring together recent findings from a range of experimental and computational studies to give a detailed picture of the charging mechanisms of supercapacitors. Nuclear magnetic resonance experiments and molecular dynamics simulations have revealed that the electrode pores contain a considerable number of ions in the absence of an applied charging potential. Experiments and computer simulations have shown that different charging mechanisms can then operate when a potential is applied, going beyond the traditional view of charging by counter-ion adsorption. It is shown that charging almost always involves ion exchange (swapping of co-ions for counter-ions), and rarely occurs by counter-ion adsorption alone. We introduce a charging mechanism parameter that quantifies the mechanism and allows comparisons between different systems. The mechanism is found to depend strongly on the polarization of the electrode, and the choice of the electrolyte and electrode materials. In light of these advances we identify new directions for supercapacitor research. Further experimental and computational work is needed to explain the factors that control supercapacitor charging mechanisms, and to establish the links between mechanisms and performance

  19. SLC injector end to end simulation for high charge transport

    International Nuclear Information System (INIS)

    The authors describe the end-to-end simulation of the SLC injector from the Gun through the first accelerating section. The purpose of these simulations is to aid the injector tuning for high charge transport. Simulations are conducted using PARMELA, a 3 dimensional ray trace code with a two dimensional space charge model. The magnetic field profile due to the existing magnetic optics is calculated using POISSON, while SUPERFISH is used to calculate the space harmonics of the various bunchers and the accelerator cavities. The results from POISSON and SUPERFISH are used in PARMELA to simulate and prescribe experimental parameters

  20. Intermediate tunnelling-hopping regime in DNA charge transport

    Science.gov (United States)

    Xiang, Limin; Palma, Julio L.; Bruot, Christopher; Mujica, Vladimiro; Ratner, Mark A.; Tao, Nongjian

    2015-03-01

    Charge transport in molecular systems, including DNA, is involved in many basic chemical and biological processes, and its understanding is critical if they are to be used in electronic devices. This important phenomenon is often described as either coherent tunnelling over a short distance or incoherent hopping over a long distance. Here, we show evidence of an intermediate regime where coherent and incoherent processes coexist in double-stranded DNA. We measure charge transport in single DNA molecules bridged to two electrodes as a function of DNA sequence and length. In general, the resistance of DNA increases linearly with length, as expected for incoherent hopping. However, for DNA sequences with stacked guanine-cytosine (GC) base pairs, a periodic oscillation is superimposed on the linear length dependence, indicating partial coherent transport. This result is supported by the finding of strong delocalization of the highest occupied molecular orbitals of GC by theoretical simulation and by modelling based on the Büttiker theory of partial coherent charge transport.

  1. Effects of dispersive wave modes on charged particles transport

    CERN Document Server

    Schreiner, Cedric

    2015-01-01

    The transport of charged particles in the heliosphere and the interstellar medium is governed by the interaction of particles and magnetic irregularities. For the transport of protons a rather simple model using a linear Alfv\\'en wave spectrum which follows the Kolmogorov distribution usually yields good results. Even magnetostatic spectra may be used. For the case of electron transport, particles will resonate with the high-k end of the spectrum. Here the magnetic fluctuations do not follow the linear dispersion relation, but the kinetic regime kicks in. We will discuss the interaction of fluctuations of dispersive waves in the kinetic regime using a particle-in-cell code. Especially the scattering of particles following the idea of Lange et al. (2013) and its application to PiC codes will be discussed. The effect of the dispersive regime on the electron transport will be discussed in detail.

  2. Heat, Mass and Charge Transport, and Chemical Reactions at Surfaces

    Directory of Open Access Journals (Sweden)

    Signe Kjelstrup

    2005-03-01

    Full Text Available In this work we derive the excess entropy production rate for heat, mass and charge transport into, out of and across a surface, using as basic variables the excess densities proposed by Gibbs. With the help of these variables we define the surface as an autonomous system (i.e. a surface in local equilibrium and find its excess entropy production rate. This then determines the conjugate fluxes and forces. Equivalent forms of the entropy production rate are given. The forms contain finite differences of intensive variables into and across the surface as driving forces. The general form of the force-flux relations is given. The expressions for the fluxes serve as boundary conditions for integration across heterogeneous systems. Two examples are discussed in more detail. The first example is the practically important coupled transport of heat and mass into and through a liquid-vapor surface. The second example concerns phenomena at electrode surfaces: the coupled transport of heat, mass and charge and a chemical reaction. By assuming that the two sides of the surface can be described as resistances in series, we are able to reduce the number of unknown transport coefficients considerably. For both examples it is shown that the coupling coefficients for heat and mass flow are large at the surface, when the homogeneous phases have a large enthalpy difference. As a consequence it is not sufficient to use, for instance, Fourier’s law for transport of heat across surfaces.

  3. Charge transport properties of cryolite–silica melts

    International Nuclear Information System (INIS)

    Electrodeposition of silicon from a cryolite based electrolyte at a relatively low temperature is a promising approach to generate high purity silicon. In order to obtain fundamental data pertaining to electrowinning of silicon from cryolite–SiO2 melts, charge transport properties of the melt such as conductivity and electronic and ionic transference numbers were measured. Each property was determined for a range of temperatures and SiO2 contents. It was found that addition of silica to cryolite generally decreases the transport rate of charge carriers. The temperature on the other hand had a positive effect on the electronic and ionic conductivities. The variations arise from the structural changes in the melt, particularly formation of complex ions involving Na, Si, and Al.

  4. Role of mesoscopic morphology in charge transport of doped polyaniline

    Indian Academy of Sciences (India)

    A K Mukherjee; Reghu Menon

    2002-02-01

    In doped polyaniline (PANI), the charge transport properties are determined by mesoscopic morphology, which in turn is controlled by the molecular recognition interactions among polymer chain, dopant and solvent. Molecular recognition plays a significant role in chain conformation and charge delocalization. The resistivity of PANI doped by camphor sulfonic acid (CSA)/2-acrylo-amido-1-propane sulfonic acid (AMPSA)/dodecyl benzene sulfonic acid (DBSA) is around 0.02 cm. PANI-CSA and PANI-AMPSA show a metallic positive temperature coefficient of resistivity above 150 K, with a finite value of conductivity at 1.4 K; whereas, PANI-DBSA shows hopping transport at low temperatures. The magnetoresistance is positive (negative) for PANI-CSA (PANIAMPSA); and PANI-DBSA has a large positive MR. The behavior of MR suggests subtle variations in mesoscopic morphology between PANI-CSA and PANI-AMPSA.

  5. Charge transport properties of CdMnTe radiation detectors

    Energy Technology Data Exchange (ETDEWEB)

    Kim K.; Rafiel, R.; Boardman, M.; Reinhard, I.; Sarbutt, A.; Watt, G.; Watt, C.; Uxa, S.; Prokopovich, D.A.; Belas, E.; Bolotnikov, A.E.; James, R.B.

    2012-04-11

    Growth, fabrication and characterization of indium-doped cadmium manganese telluride (CdMnTe)radiation detectors have been described. Alpha-particle spectroscopy measurements and time resolved current transient measurements have yielded an average charge collection efficiency approaching 100 %. Spatially resolved charge collection efficiency maps have been produced for a range of detector bias voltages. Inhomogeneities in the charge transport of the CdMnTe crystals have been associated with chains of tellurium inclusions within the detector bulk. Further, it has been shown that the role of tellurium inclusions in degrading chargecollection is reduced with increasing values of bias voltage. The electron transit time was determined from time of flight measurements. From the dependence of drift velocity on applied electric field the electron mobility was found to be n = (718 55) cm2/Vs at room temperature.

  6. Charge transport through weakly open one dimensional quantum wires

    OpenAIRE

    Kopnin, N. B.; Galperin, Y. M.; Vinokur, V.M.

    2008-01-01

    We consider resonant transmission through a finite-length quantum wire connected to leads via finite transparency junctions. The coherent electron transport is strongly modified by the Coulomb interaction. The low-temperature current-voltage ($IV$) curves show step-like dependence on the bias voltage determined by the distance between the quantum levels inside the conductor, the pattern being dependent on the ratio between the charging energy and level spacing. If the system is tuned close to...

  7. Charge transport in disordered superconductor-graphene junctions

    International Nuclear Information System (INIS)

    We consider the charge transport through superconductor-graphene tunnel junctions, including the effect of disorder. Coherent scattering on elastic impurities in the graphene layer can give rise to multiple reflections at the graphene-superconductor interface, and can thereby increase the probability of Andreev reflection, leading to an enhancement of the subgap conductance above its classical value. Although the phenomenon is known already from heterostructures involving normal metals, we have studied how graphenes peculiar dispersion relation influences the effect.

  8. Revised-Modified Penalties for Fixed Charge Transportation Problems

    OpenAIRE

    Bruce W. Lamar; Chris A. Wallace

    1997-01-01

    Conditional penalties are used to obtain lower bounds to subproblems in a branch-and-bound procedure that can be tighter than the LP relaxation of the subproblems. For the fixed charge transportation problem (FCTP), branch-and-bound algorithms have been implemented using conditional penalties proposed by Driebeek (Driebeek, N. 1966. An algorithm for the solution of mixed integer programming problems. Management Sci. 12 576--587.), Cabot and Erenguc (Cabot, A. V., S. S. Erenguc. 1984. Some bra...

  9. Magnetic fields facilitate DNA-mediated charge transport

    OpenAIRE

    Wong, Jiun Ru; Lee, Kee Jin; Shu, Jian-Jun; Shao, Fangwei

    2015-01-01

    Exaggerate radical-induced DNA damage under magnetic fields is of great concerns to medical biosafety and to bio-molecular device based upon DNA electronic conductivity. In this report, the effect of applying an external magnetic field (MF) on DNA-mediated charge transport (CT) was investigated by studying guanine oxidation by a kinetics trap (8CPG) via photoirradiation of anthraquinone (AQ) in the presence of an external MF. Positive enhancement in CT efficiencies was observed in both the pr...

  10. DNA-mediated Charge Transport in Redox Sensing and Signaling

    OpenAIRE

    Genereux, Joseph C.; Boal, Amie K.; Barton, Jacqueline K.

    2010-01-01

    The transport of charge through the DNA base pair stack offers a route to carry out redox chemistry at a distance. Here we describe characteristics of this chemistry that have been elucidated and how this chemistry may be utilized within the cell. The shallow distance dependence associated with these redox reactions permits DNA-mediated signaling over long molecular distances in the genome and facilitates the activation of redox-sensitive transcription factors globally in response to oxidativ...

  11. Models for Energy and Charge Transport and Storage in Biomolecules

    OpenAIRE

    Mingaleev, S. F.; Christiansen, P. L.; Gaididei, Yu. B.; M. Johansson; Rasmussen, K.Ø.

    1999-01-01

    Two models for energy and charge transport and storage in biomolecules are considered. A model based on the discrete nonlinear Schrodinger equation with long-range dispersive interactions (LRI's) between base pairs of DNA is offered for the description of nonlinear dynamics of the DNA molecule. We show that LRI's are responsible for the existence of an interval of bistability where two stable stationary states, a narrow, pinned state and a broad, mobile state, coexist at each value of the tot...

  12. Charge transport through DNA four-way junctions

    OpenAIRE

    Duncan T Odom; Dill, Erik A.; Barton, Jacqueline K.

    2001-01-01

    Long range oxidative damage as a result of charge transport is shown to occur through single crossover junctions assembled from four semi-complementary strands of DNA. When a rhodium complex is tethered to one of the arms of the four-way junction assembly, thereby restricting its intercalation into the π-stack, photo-induced oxidative damage occurs to varying degrees at all guanine doublets in the assembly, though direct strand scission only occurs at the predicted...

  13. DNA Charge Transport Leading to Disulfide Bond Formation

    OpenAIRE

    Takada, Tadao; Barton, Jacqueline K.

    2005-01-01

    Here, we show that DNA-mediated charge transport (CT) can lead to the oxidation of thiols to form disulfide bonds in DNA. DNA assemblies were prepared possessing anthraquinone (AQ) as a photooxidant spatially separated on the duplex from two SH groups incorporated into the DNA backbone. Upon AQ irradiation, HPLC analysis reveals DNA ligated through a disulfide. The reaction efficiency is seen to vary in assemblies containing intervening DNA mismatches, confirming that the reaction is DNA-medi...

  14. Nonlinear charge transport in the helicoidal DNA molecule.

    Science.gov (United States)

    Dang Koko, A; Tabi, C B; Ekobena Fouda, H P; Mohamadou, A; Kofané, T C

    2012-12-01

    Charge transport in the twist-opening model of DNA is explored via the modulational instability of a plane wave. The dynamics of charge is shown to be governed, in the adiabatic approximation, by a modified discrete nonlinear Schrödinger equation with next-nearest neighbor interactions. The linear stability analysis is performed on the latter and manifestations of the modulational instability are discussed according to the value of the parameter α, which measures hopping interaction correction. In so doing, increasing α leads to a reduction of the instability domain and, therefore, increases our chances of choosing appropriate values of parameters that could give rise to pattern formation in the twist-opening model. Our analytical predictions are verified numerically, where the generic equations for the radial and torsional dynamics are directly integrated. The impact of charge migration on the above degrees of freedom is discussed for different values of α. Soliton-like and localized structures are observed and thus confirm our analytical predictions. We also find that polaronic structures, as known in DNA charge transport, are generated through modulational instability, and hence reinforces the robustness of polaron in the model we study. PMID:23278045

  15. Charge injection and transport in fluorene-based copolymers.

    Science.gov (United States)

    Fong, Hon Hang; Malliaras, George G.; Lu, Tianjian; Dunlap, David

    2007-03-01

    Fluorene-based copolymer is considered to be one of the most promising hole transporting and blue light-emitting conjugated polymers used in polymeric light-emitting diodes (PLEDs). Time-of-flight (TOF) technique has been employed to evaluate the charge drift mobility under a temperature range between 200 - 400 K at the thick film regime (1-10 micron). Meanwhile, contact ohmicity is studied by Dark Current Space Charge Limited Conduction (DISCLC) technique. Charge injection efficiencies from different electrical contacts are also studied and the corresponding injection barriers are independently investigated by photoemission and electroabsorption spectroscopies. Results show that the copolymers exhibit non-dispersive charge transport behavior and possess superior mobilities of up to 0.01cm^2V-1s-1 while single-carrier devices from various electrical contacts such as PEDOT:PSS are varied, depending on the chemical structure of amine component in the fluorene-triarylamine copolymers. Results will shed light on the enhancement of device efficiency and stability in the future polymer electronic devices.

  16. Nonlinear charge transport in the helicoidal DNA molecule

    Science.gov (United States)

    Dang Koko, A.; Tabi, C. B.; Ekobena Fouda, H. P.; Mohamadou, A.; Kofané, T. C.

    2012-12-01

    Charge transport in the twist-opening model of DNA is explored via the modulational instability of a plane wave. The dynamics of charge is shown to be governed, in the adiabatic approximation, by a modified discrete nonlinear Schrödinger equation with next-nearest neighbor interactions. The linear stability analysis is performed on the latter and manifestations of the modulational instability are discussed according to the value of the parameter α, which measures hopping interaction correction. In so doing, increasing α leads to a reduction of the instability domain and, therefore, increases our chances of choosing appropriate values of parameters that could give rise to pattern formation in the twist-opening model. Our analytical predictions are verified numerically, where the generic equations for the radial and torsional dynamics are directly integrated. The impact of charge migration on the above degrees of freedom is discussed for different values of α. Soliton-like and localized structures are observed and thus confirm our analytical predictions. We also find that polaronic structures, as known in DNA charge transport, are generated through modulational instability, and hence reinforces the robustness of polaron in the model we study.

  17. Mechanism of Electronic Charging of Coal Mine Dust

    Directory of Open Access Journals (Sweden)

    Cheng Xue-Zhen

    2013-09-01

    Full Text Available The electronic charging of mine dust can cause coal-dust explosion and increase the risk of pneumoconiosis, so it is necessary to take more attention to the study of its electronic charging properties. The mechanism of electronic charging of coal mine dust was investigated in this paper. It was found that the formation and polarity of dust are determined by the energy band structure and of the two contacting sides; then a mathematical model of work function is established in mesoscopic level. The experiments conclude that the work function decreases with the particle size for the dust with same properties, moreover large particles are positively charged and small particles are negatively charged. Finally, the experimental verification of the main particles charged model drive unipolar and bipolar charged modes and confirm the correctness of microstructure and mesoscopic analyses, which furthermore lay the foundation for further research.

  18. Spatial and temporal imaging of long-range charge transport in perovskite thin films by ultrafast microscopy

    OpenAIRE

    GUO, ZHI; Manser, Joseph S.; Wan, Yan; Kamat, Prashant V.; Huang, Libai

    2015-01-01

    Charge carrier diffusion coefficient and length are important physical parameters for semiconducting materials. Long-range carrier diffusion in perovskite thin films has led to remarkable solar cell efficiencies; however, spatial and temporal mechanisms of charge transport remain unclear. Here we present a direct measurement of carrier transport in space and in time by mapping carrier density with simultaneous ultrafast time resolution and ∼50-nm spatial precision in perovskite thin films usi...

  19. Congestion charging mechanisms for roads : an evaluation of current practice

    OpenAIRE

    Hau, Timothy D.

    1992-01-01

    The author explores 20 criteria for a good road pricing system and presents case studies illustrating the costs, revenues, and benefits of alternative congestion charging mechanisms. The author finds that manual tollbooths are not suitable for congestion charging because they are land-, labor-, and time-intensive. Cordon pricing (as in the Bergen toll ring) can be an effective instrument for charging for congestion if half the toll lanes are reserved for seasonal pass holders traveling throug...

  20. Effects of Te inclusions on charge-carrier transport properties in CdZnTe radiation detectors

    International Nuclear Information System (INIS)

    Highlights: • This work reveals the behaviors of Te inclusion in affecting charge-carrier transport properties in CdZnTe detectors for the first time and analysis the mechanism therein. • The results show that charge collection efficiencies in Te inclusion degraded regions experience fast ascent under low biases and slow descent at high applied biases, which deviates from the Hecht rule. • This phenomenon is attributed to the competitive influence of two mechanisms under different biases, namely charge carrier trapping due to uniformly distributed point defects and Te inclusion induced transient charge loss. • A modified Hecht equation is further proposed to explain the effects of high-density localized defects, say Te inclusions, on the charge collection efficiency. • We believe that this research has wide appeal to analyze the macroscopic defects and their influence on charge transport properties in semiconductor radiation detectors. - Abstract: The influence of tellurium (Te) inclusions on the charge collection efficiency in cadmium zinc telluride (CdZnTe or CZT) detectors has been investigated using ion beam induced charge (IBIC) technique. Combining the analysis of infrared transmittance image, most of the low charge collection areas in the IBIC images prove the existence of Te inclusions. To further clarify the role of Te inclusions on charge transport properties, bias dependent local IBIC scan was performed on Te inclusion related regions from 20 V to 500 V. The result shows that charge collection efficiencies in Te inclusion degraded regions experience fast ascent under low biases and slow descent at high applied biases, which deviates from Hecht rule. This behavior is attributed to the competitive influence of two mechanisms under different biases, namely charge carrier trapping due to uniformly distributed point defects and Te inclusion induced transient charge loss. A modified Hecht equation is further proposed to explain the effects of high

  1. Simulations of charge transport in organic light emitting diodes

    CERN Document Server

    Martin, S J

    2002-01-01

    In this thesis, two approaches to the modelling of charge transport in organic light emitting diodes (OLEDs) are presented. The first is a drift-diffusion model, normally used when considering conventional crystalline inorganic semiconductors (e.g. Si or lll-V's) which have well defined energy bands. In this model, electron and hole transport is described using the current continuity equations and the drift-diffusion current equations, and coupled to Poisson's equation. These equations are solved with the appropriate boundary conditions, which for OLEDs are Schottky contacts; carriers are injected by thermionic emission and tunnelling. The disordered nature of the organic semiconductors is accounted for by the inclusion of field-dependent carrier mobilities and Langevin optical recombination. The second approach treats the transport of carriers in disordered organic semi-conductors as a hopping process between spatially and energetically disordered sites. This method has been used previously to account for th...

  2. Contrast mechanism due to interface trapped charges for a buried SiO2 microstructure in scanning electron microscopy.

    Science.gov (United States)

    Zhang, Hai-Bo; Li, Wei-Qin; Wu, Dan-Wei

    2009-01-01

    We clarify the scanning electron microscopic contrast mechanism for imaging a buried SiO(2) trench microstructure with interface trapped charges by simulating both electron scattering and transport. Here, the interface trapped charges make the SiO(2) film more negatively charged and increase excess holes in the space charge distribution of the electron scattering region. The generated positive surface electric field thus redistributes some emitted secondary electrons and results in the dark contrast. This contrast mechanism is validated by comparing with experiments, and it may also provide an interesting approach for imaging and detecting deep interface trapped charges in insulating films. PMID:19029106

  3. Electronic properties of mesoscopic graphene structures: charge confinement and control of spin and charge transport

    OpenAIRE

    Rozhkov, A. V.; Giavaras, G.; Bliokh, Yury P.; Freilikher, Valentin; Nori, Franco

    2011-01-01

    This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for applications. The graphene-related topics covered here are: edges, nanoribbons, quantum dots, $pn$-junctions, $pnp$-structures, and quantum barriers and waveguides. This review is partly intended as a short introduction to graphene mesoscopics.

  4. Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport

    International Nuclear Information System (INIS)

    This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for applications. The graphene-related topics covered here are: edges, nanoribbons, quantum dots, pn-junctions, pnp-structures, and quantum barriers and waveguides. This review is partly intended as a short introduction to graphene mesoscopics.

  5. Implementation of polarization processes in a charge transport model applied on poly(ethylene naphthalate) films

    Science.gov (United States)

    Hoang, M.-Q.; Le Roy, S.; Boudou, L.; Teyssedre, G.

    2016-06-01

    One of the difficulties in unravelling transport processes in electrically insulating materials is the fact that the response, notably charging current transients, can have mixed contributions from orientation polarization and from space charge processes. This work aims at identifying and characterizing the polarization processes in a polar polymer in the time and frequency-domains and to implement the contribution of the polarization into a charge transport model. To do so, Alternate Polarization Current (APC) and Dielectric Spectroscopy measurements have been performed on poly(ethylene naphthalene 2,6-dicarboxylate) (PEN), an aromatic polar polymer, providing information on polarization mechanisms in the time- and frequency-domain, respectively. In the frequency-domain, PEN exhibits 3 relaxation processes termed β, β* (sub-glass transitions), and α relaxations (glass transition) in increasing order of temperature. Conduction was also detected at high temperatures. Dielectric responses were treated using a simplified version of the Havriliak-Negami model (Cole-Cole (CC) model), using 3 parameters per relaxation process, these parameters being temperature dependent. The time dependent polarization obtained from the CC model is then added to a charge transport model. Simulated currents issued from the transport model implemented with the polarization are compared with the measured APCs, showing a good consistency between experiments and simulations in a situation where the response comes essentially from dipolar processes.

  6. Mechanical forces and lymphatic transport.

    Science.gov (United States)

    Breslin, Jerome W

    2014-11-01

    This review examines the current understanding of how the lymphatic vessel network can optimize lymph flow in response to various mechanical forces. Lymphatics are organized as a vascular tree, with blind-ended initial lymphatics, precollectors, prenodal collecting lymphatics, lymph nodes, postnodal collecting lymphatics and the larger trunks (thoracic duct and right lymph duct) that connect to the subclavian veins. The formation of lymph from interstitial fluid depends heavily on oscillating pressure gradients to drive fluid into initial lymphatics. Collecting lymphatics are segmented vessels with unidirectional valves, with each segment, called a lymphangion, possessing an intrinsic pumping mechanism. The lymphangions propel lymph forward against a hydrostatic pressure gradient. Fluid is returned to the central circulation both at lymph nodes and via the larger lymphatic trunks. Several recent developments are discussed, including evidence for the active role of endothelial cells in lymph formation; recent developments on how inflow pressure, outflow pressure, and shear stress affect the pump function of the lymphangion; lymphatic valve gating mechanisms; collecting lymphatic permeability; and current interpretations of the molecular mechanisms within lymphatic endothelial cells and smooth muscle. An improved understanding of the physiological mechanisms by which lymphatic vessels sense mechanical stimuli, integrate the information, and generate the appropriate response is key for determining the pathogenesis of lymphatic insufficiency and developing treatments for lymphedema. PMID:25107458

  7. Mechanical Forces and Lymphatic Transport

    Science.gov (United States)

    Breslin, Jerome W.

    2014-01-01

    This review examines current understanding of how the lymphatic vessel network can optimize lymph flow in response to various mechanical forces. Lymphatics are organized as a vascular tree, with blind-ended initial lymphatics, precollectors, prenodal collecting lymphatics, lymph nodes, postnodal collecting lymphatics and the larger trunks (thoracic duct and right lymph duct) that connect to the subclavian veins. The formation of lymph from interstitial fluid depends heavily on oscillating pressure gradients to drive fluid into initial lymphatics. Collecting lymphatics are segmented vessels with unidirectional valves, with each segment, called a lymphangion, possessing an intrinsic pumping mechanism. The lymphangions propel lymph forward against a hydrostatic pressure gradient. Fluid is returned to the central circulation both at lymph nodes and via the larger lymphatic trunks. Several recent developments are discussed, including: evidence for the active role of endothelial cells in lymph formation; recent developments on how inflow pressure, outflow pressure, and shear stress affect pump function of the lymphangion; lymphatic valve gating mechanisms; collecting lymphatic permeability; and current interpretations of the molecular mechanisms within lymphatic endothelial cells and smooth muscle. Improved understanding of the physiological mechanisms by lymphatic vessels sense mechanical stimuli, integrate the information, and generate the appropriate response is key for determining the pathogenesis of lymphatic insufficiency and developing treatments for lymphedema. PMID:25107458

  8. Nanoscale charge transport in cytochrome c3/DNA network: Comparative studies between redox-active molecules

    Science.gov (United States)

    Yamaguchi, Harumasa; Che, Dock-Chil; Hirano, Yoshiaki; Suzuki, Masayuki; Higuchi, Yoshiki; Matsumoto, Takuya

    2015-09-01

    The redox-active molecule of a cytochrome c3/DNA network exhibits nonlinear current-voltage (I-V) characteristics with a threshold bias voltage at low temperature and zero-bias conductance at room temperature. I-V curves for the cytochrome c3/DNA network are well matched with the Coulomb blockade network model. Comparative studies of the Mn12 cluster, cytochrome c, and cytochrome c3, which have a wide variety of redox potentials, indicate no difference in charge transport, which suggests that the conduction mechanism is not directly related to the redox states. The charge transport mechanism has been discussed in terms of the newly-formed electronic energy states near the Fermi level, induced by the ionic interaction between redox-active molecules with the DNA network.

  9. EDITORIAL: Charge transport in non-metallic solids

    Science.gov (United States)

    Youngs, Ian J.; Almond, Darryl P.

    2009-03-01

    Workers engaged in a wide range of investigations of charge transport in non-metallic solids came together at a meeting of the Institute of Physics Dielectric Group, held in London on 2 April 2008. Topics included both ionic and electronic conduction, investigations of the fundamental mechanisms of charge transport, percolation, modelling the conduction process in both natural and man-made composite electrical and electromagnetic materials, the design and development of solids with specified conduction properties and the ac characteristics of non-metallic solids. In the first session, the long-standing problem of the anomalous power law increase in ac conductivity with frequency was addressed by a set of four presentations. Jeppe Dyre, an invited speaker from Roskilde University, Denmark, introduced the problem and stressed the universality of the frequency dependence observed in the ac conductivities of disordered non-metallic materials. He showed that it could be obtained from a simple random barrier model, independent of the barrier distribution. Darryl Almond, University of Bath, showed that the electrical responses of large networks of randomly positioned resistors and capacitors, simulating the microstructures of disordered two-phase (conductor insulator) materials, exhibit the same frequency dependence. He demonstrated their robustness to component value and distribution and suggested that it was an emergent property of these networks and of two-phase materials. Klaus Funke, an invited speaker from the University of Munster, Germany, presented a detailed model of ion motion in disordered ionic materials. He stressed the need to account for the concerted many-particle processes that occur whilst ions hop from site to site in response to an applied electric field. The conductivity spectra obtained from this work reproduce the same frequency dispersion and have the additional feature of conductivity saturation at high frequencies. Tony West, University of

  10. Feline hepatic biotransformation and transport mechanisms

    NARCIS (Netherlands)

    van Beusekom, C.D. van

    2015-01-01

    Hepatic biotransformation and drug transport mechanisms vary significantly between species. While these processes that determine largely the kinetic behavior of drugs have been studied abundantly in dogs, corresponding investigations in cats are hardly available, despite the increasing role of cats

  11. Symposium GC: Nanoscale Charge Transport in Excitonic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Bommisetty, Venkat [Univ. of South Dakota, Vermillion, SD (United States)

    2011-06-23

    This paper provides a summary only and table of contents of the sessions. Excitonic solar cells, including all-organic, hybrid organic-inorganic and dye-sensitized solar cells (DSSCs), offer strong potential for inexpensive and large-area solar energy conversion. Unlike traditional inorganic semiconductor solar cells, where all the charge generation and collection processes are well understood, these excitonic solar cells contain extremely disordered structures with complex interfaces which results in large variations in nanoscale electronic properties and has a strong influence on carrier generation, transport, dissociation and collection. Detailed understanding of these processes is important for fabrication of highly efficient solar cells. Efforts to improve efficiency are underway at a large number of research groups throughout the world focused on inorganic and organic semiconductors, photonics, photophysics, charge transport, nanoscience, ultrafast spectroscopy, photonics, semiconductor processing, device physics, device structures, interface structure etc. Rapid progress in this multidisciplinary area requires strong synergetic efforts among researchers from diverse backgrounds. Such effort can lead to novel methods for development of new materials with improved photon harvesting and interfacial treatments for improved carrier transport, process optimization to yield ordered nanoscale morphologies with well defined electronic structures.

  12. Ion transport and rectification in a charged nanoscale cone

    Science.gov (United States)

    Yang, Fan; Zhang, Li; Mao, Qian; Stone, Howard

    2015-11-01

    The possibility of rectification for ion transport in nanofluidic systems offers a potential route for developing a nanofluidic diode that mimics a semiconductor diode or captures some features of a biological ion channel. The rectification phenomenon, in which a solution would be enriched in one ion, results from asymmetric effects in ionic transport that can be realized by discontinuities in surface charge, concentration differences across a pore, or an asymmetric pore shape such as a cone. In this paper, we focus on the latter two effects and seek to capture the rectification effect in simple terms with a non-dimensional model representative of the many systems studied to date. Specifically, we analyze the rectification phenomenon in a charged nanoscale cone with a concentration difference and/or an electrical potential difference across the pore. Based on the Poisson-Nernst-Planck model and the assumption of one-dimensional transport, we derive a model based on two coupled ordinary differential equations to determine significant parameters such as ionic current. We identify several dimensionless parameters that have not been recognized previously and study the influence of the dimensionless parameters on the rectification. The authors would like to thank The Center for Combustion Energy (CCE) of Tsinghua University for supporting this project.

  13. DNA Protection by the Bacterial Ferritin Dps via DNA Charge Transport

    OpenAIRE

    Arnold, Anna R.; Barton, Jacqueline K.

    2013-01-01

    Dps proteins, bacterial mini-ferritins that protect DNA from oxidative stress, are implicated in the survival and virulence of pathogenic bacteria. Here we examine the mechanism of E. coli Dps protection of DNA, specifically whether this DNA-binding protein can utilize DNA charge transport through the base pair π-stack to protect the genome from a distance. An intercalating ruthenium photooxidant was employed to generate DNA damage localized to guanine repeats, the sites of lowest potential i...

  14. Triggering mechanisms for transport barriers

    International Nuclear Information System (INIS)

    The radial shear ωExB of the ExB flow is evaluated with the Monte Carlo orbit following code ASCOT at the onset of the L-H transition and internal transport barriers (ITB) in JET, TFTR, ASDEX Upgrade, TEXTOR, and FT-2 tokamaks. Systematically, a large shear (sufficient for turbulence suppression) is found for local parameters close to the experimental threshold conditions at the barrier location. For L-H transition in JET and ASDEX Upgrade, the large shear is obtained by increasing the edge ion temperature. For TEXTOR, the radial electric field and the electrode current bifurcate at a threshold electrode voltage. In a JET database study, toroidal rotation is found to be dominant in triggering the JET ITB, and an empirical s-ωExB fit is found for the transition threshold. For TFTR and FT-2, in which toroidal rotation does not play a role, ASCOT predicts a significant ωExB shear for the ITB conditions. The ripple-induced transport is not found to be important here. (author)

  15. Charged Polymers Transport under Applied Electric Fields in Periodic Channels

    Directory of Open Access Journals (Sweden)

    Sorin Nedelcu

    2013-07-01

    Full Text Available By molecular dynamics simulations, we investigated the transport of charged polymers in applied electric fields in confining environments, which were straight cylinders of uniform or non-uniform diameter. In the simulations, the solvent was modeled explicitly and, also, the counterions and coions of added salt. The electrophoretic velocities of charged chains in relation to electrolyte friction, hydrodynamic effects due to the solvent, and surface friction were calculated. We found that the velocities were higher if counterions were moved away from the polymeric domain, which led to a decrease in hydrodynamic friction. The topology of the surface played a key role in retarding the motion of the polyelectrolyte and, even more so, in the presence of transverse electric fields. The present study showed that a possible way of improving separation resolution is by controlling the motion of counterions or electrolyte friction effects.

  16. SLC injector simulation and tuning for high charge transport

    International Nuclear Information System (INIS)

    We have simulated the SLC injector from the thermionic gun through the first accelerating section and used the resulting parameters to tune the injector for optimum performance and high charge transport. Simulations are conducted using PARMELA, a three-dimensional space-charge model. The magnetic field profile due to the existing magnetic optics is calculated using POISSON, while SUPERFISH is used to calculate the space harmonics of the various bunchers and the accelerator cavities. The initial beam conditions in the PARMELA code are derived from the EGUN model of the gun. The resulting injector parameters from the PARMELA simulation are used to prescribe experimental settings of the injector components. The experimental results are in agreement with the results of the integrated injector model. (Author) 5 figs., 7 refs

  17. Dust charging and transport on airless planetary bodies

    Science.gov (United States)

    Wang, X.; Schwan, J.; Hsu, H.-W.; Grün, E.; Horányi, M.

    2016-06-01

    We report on laboratory experiments to shed light on dust charging and transport that have been suggested to explain a variety of unusual phenomena on the surfaces of airless planetary bodies. We have recorded micron-sized insulating dust particles jumping to several centimeters high with an initial speed of ~0.6 m/s under ultraviolet illumination or exposure to plasmas, resulting in an equivalent height of ~0.11 m on the lunar surface that is comparable to the height of the so-called lunar horizon glow. Lofted large aggregates and surface mobilization are related to many space observations. We experimentally show that the emission and re-absorption of photoelectron and/or secondary electron at the walls of microcavities formed between neighboring dust particles below the surface are responsible for generating unexpectedly large negative charges and intense particle-particle repulsive forces to mobilize and lift off dust particles.

  18. Dielectric spectroscopy for probing the relaxation and charge transport in polypyrrole nanofibers

    Science.gov (United States)

    Banerjee, Somik; Kumar, A.

    2011-06-01

    Conductivity relaxation and charge transport mechanisms in polypyrrole (PPy) nanofibers synthesized using a micellar polymerization technique with varying surfactant concentration has been investigated by dielectric relaxation spectroscopy. TEM micrographs depict that the increasing surfactant concentration leads to the reduction of the nanofiber diameter. X-ray diffraction studies show that domain length in the PPy nanofibers decreases with decreasing fiber diameter whereas the strain caused due to dislocations and point defects increases. The permittivity spectra reveal that the relaxation mechanism in PPy nanofibers are dominated by hopping of trapped charges. Two relaxation peaks in the impedance spectra are attributed to the two-phase structure in the PPy nanofibers; the lower frequency peak is ascribed to the phase of oxidized repeat units and the higher frequency peak to the reduced repeat units of PPy nanofibers. The occurrence of relaxation peaks at different frequencies in the impedance and modulus spectra indicates a non-Debye relaxation with a wide distribution of relaxation times. The ac conductivity has been interpreted as a power law of frequency. The decrease of the parameter s with increasing temperature indicates that correlated barrier hopping is the dominant charge transport mechanism. Existence of polarons as major charge carriers has been confirmed by the low values of polaron binding energy.

  19. Charge and Spin Transport in Dilute Magnetic Semiconductors. Final report

    International Nuclear Information System (INIS)

    This proposal to the DOE outlines a three-year plan of research in theoretical and computational condensed-matter physics, with the aim of developing a microscopic theory for charge and spin dynamics in disordered materials with magnetic impurities. Important representatives of this class of materials are the dilute magnetic semiconductors (DMS), which have attracted great attention as a promising basis for spintronics devices. There is an intense experimental effort underway to study the transport properties of ferromagnetic DMS such as (Ga,Mn)As, and a number of interesting features have emerged: negative magnetoresistance, anomalous Hall effect, non-Drude dynamical conductivity, and resistivity maxima at the Curie temperature. Available theories have been able to account for some of these features, but at present we are still far away from a systematic microscopic understanding of transport in DMS. We propose to address this challenge by developing a theory of charge and spin dynamics based on a combination of the memory-function formalism and time-dependent density functional theory. This approach will be capable of dealing with two important issues: (a) the strong degree of correlated disorder in DMS, close to the localization transition (which invalidates the usual relaxation-time approximation to the Boltzmann equation), (b) the essentially unknown role of dynamical many-body effects such as spin Coulomb drag. We will calculate static and dynamical conductivities in DMS as functions of magnetic order and carrier density, which will advance our understanding of recent transport and infrared absorption measurements. Furthermore, we will study collective plasmon excitations in DMS (3D, 2D and quantum wells), whose linewidths could constitute a new experimental probe of the correlation of disorder, many-body effects and charge and spin dynamics in these materials.

  20. Charge and Spin Transport in Dilute Magnetic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Ullrich, Carsten A.

    2009-07-23

    This proposal to the DOE outlines a three-year plan of research in theoretical and computational condensed-matter physics, with the aim of developing a microscopic theory for charge and spin dynamics in disordered materials with magnetic impurities. Important representatives of this class of materials are the dilute magnetic semiconductors (DMS), which have attracted great attention as a promising basis for spintronics devices. There is an intense experimental effort underway to study the transport properties of ferromagnetic DMS such as (Ga,Mn)As, and a number of interesting features have emerged: negative magnetoresistance, anomalous Hall effect, non-Drude dynamical conductivity, and resistivity maxima at the Curie temperature. Available theories have been able to account for some of these features, but at present we are still far away from a systematic microscopic understanding of transport in DMS. We propose to address this challenge by developing a theory of charge and spin dynamics based on a combination of the memory-function formalism and time-dependent density functional theory. This approach will be capable of dealing with two important issues: (a) the strong degree of correlated disorder in DMS, close to the localization transition (which invalidates the usual relaxation-time approximation to the Boltzmann equation), (b) the essentially unknown role of dynamical many-body effects such as spin Coulomb drag. We will calculate static and dynamical conductivities in DMS as functions of magnetic order and carrier density, which will advance our understanding of recent transport and infrared absorption measurements. Furthermore, we will study collective plasmon excitations in DMS (3D, 2D and quantum wells), whose linewidths could constitute a new experimental probe of the correlation of disorder, many-body effects and charge and spin dynamics in these materials.

  1. Observation of quantum interference in molecular charge transport

    DEFF Research Database (Denmark)

    Guedon, Constant M.; Valkenier, Hennie; Markussen, Troels;

    2012-01-01

    , phenomena such as giant magnetoresistance(5), Kondo effects(6) and conductance switching(7-11) have been observed in single molecules, and theorists have predicted that it should also be possible to observe quantum interference in molecular conductors(12-18), but until now all the evidence for such...... behaviour has been indirect. Here, we report the observation of destructive quantum interference in charge transport through two-terminal molecular junctions at room temperature. We studied five different rigid p-conjugated molecular wires, all of which form self-assembled monolayers on a gold surface, and...

  2. Charging machine for the transport of fuel elements

    International Nuclear Information System (INIS)

    Charging machines for the transport of fuel elements for nuclear reactors have got a bridge body supported by two parallel rails via wheels. According to the invention the wheels are fixed to the bridge body by means of guide rods in such a way that at least relative movements in direction of the wheels and transversal to it are possible. Parallel to the guide rods springs and movement attenuators are force-locking by connected. Therefore a stabilizing effect with respect to the transversal forces occurring during earthquakes is achieved. (orig.)

  3. Metal complexes for DNA-mediated charge transport

    OpenAIRE

    Barton, Jacqueline K.; Olmon, Eric D.; Sontz, Pamela A.

    2011-01-01

    In all organisms, oxidation threatens the integrity of the genome. DNA-mediated charge transport (CT) may play an important role in the generation and repair of this oxidative damage. In studies involving long-range CT from intercalating Ru and Rh complexes to 5′-GG-3′ sites, we have examined the efficiency of CT as a function of distance, temperature, and the electronic coupling of metal oxidants bound to the base stack. Most striking is the shallow distance dependence and the sensitivity of...

  4. Mechanical Forces and Lymphatic Transport

    OpenAIRE

    Breslin, Jerome W.

    2014-01-01

    This review examines current understanding of how the lymphatic vessel network can optimize lymph flow in response to various mechanical forces. Lymphatics are organized as a vascular tree, with blind-ended initial lymphatics, precollectors, prenodal collecting lymphatics, lymph nodes, postnodal collecting lymphatics and the larger trunks (thoracic duct and right lymph duct) that connect to the subclavian veins. The formation of lymph from interstitial fluid depends heavily on oscillating pre...

  5. Mass and charge transport in micro and nanofluidic channels

    DEFF Research Database (Denmark)

    Mortensen, Niels Asger; Olesen, Laurits Højgaard; Okkels, Fridolin;

    2007-01-01

    We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electroosmosis. We use aHilbert space eigenfunction expansion to address the general problem of an arbitrary cross section and obtain general results in linear-response theory for the mass and...... charge transport coefficients that satisfy Onsager relations. In the limit of nonoverlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the hydraulic radiusR ¼ 2A=P with Aand P being the cross-sectional area and perimeter......, respectively. In particular, we consider the limits of thin nonoverlapping as well as strongly overlapping Debye layers, respectively, and calculate the corrections to the hydraulic resistance due to electrohydrodynamic interactions....

  6. Charge transport in strongly coupled quantum dot solids

    Science.gov (United States)

    Kagan, Cherie R.; Murray, Christopher B.

    2015-12-01

    The emergence of high-mobility, colloidal semiconductor quantum dot (QD) solids has triggered fundamental studies that map the evolution from carrier hopping through localized quantum-confined states to band-like charge transport in delocalized and hybridized states of strongly coupled QD solids, in analogy with the construction of solids from atoms. Increased coupling in QD solids has led to record-breaking performance in QD devices, such as electronic transistors and circuitry, optoelectronic light-emitting diodes, photovoltaic devices and photodetectors, and thermoelectric devices. Here, we review the advances in synthesis, assembly, ligand treatments and doping that have enabled high-mobility QD solids, as well as the experiments and theory that depict band-like transport in the QD solid state. We also present recent QD devices and discuss future prospects for QD materials and device design.

  7. Phase Coherent Charge Transport in Graphene Quantum Billiards

    Science.gov (United States)

    Lau, Chun Ning

    2008-03-01

    As an emergent model system for condensed matter physics and a promising electronic material, graphene's electrical transport properties has become a subject of intense focus. Via low temperature transport spectroscopy on single and bi-layer graphene devices, we show that the minimum conductivity value is geometry dependent and approaches the theoretical value of 4e^2/πh only for wide and short graphene strips. Moreover, we observe periodic conductance oscillations with bias and gate voltages, arising from quantum interference of multiply-reflected waves of charges in graphene. When graphene is coupled to superconducting electrodes, we observe gate tunable supercurrent and sub-gap structures, which originate from multiple Andreev reflection at the graphene-superconductor interfaces. Our results demonstrate that graphene can act as a quantum billiard with a long phase coherence length. This work was supported in part by DOD/DMEA-H94003-06-2-0608.

  8. DFT Study on the Effect of Different Peripheral Chains on Charge Transport Properties of Triphenylene Derivatives

    Institute of Scientific and Technical Information of China (English)

    CHEN,Jun-Rong; CAI,Jing; XU,Bu-Yi; LI,Quan; ZHAO,Ke-Qing

    2008-01-01

    Based on the semi-classical model of the charge transport, theoretical studies on the effect of different periph-eral chains including alkynyl on charge transport properties of triphenylene have been carried out using density functional theory (DFT) at the level of B3LYP/6-31G**. The results indicate that all the title compounds are ad-vantageous to the charge transport. The introduction of amide RCONH to the discotic ring of triphenylene can raise the positive charge transport rate largely, and introduction of ester in peripheral chains is helpful to the positive charge transport and negative charge transport. The positive charge transport properties of monosubstituted triphenylene are better than those of disubstituted and trisubstituted triphenylenes obviously.

  9. TRANSPORT - a computer program for designing charged particle beam transport systems

    International Nuclear Information System (INIS)

    TRANSPORT is a computer program for first-order and second-order matrix multiplication, intended for the design of static-magnetic beam-transport systems. It has been in existence in various versions since 1963. The first part of the report is a user's manual, and supersedes the earlier report CERN 73-16. The second part is a reproduction of the Fermilab document 'TRANSPORT appendix', by the same authors, which describes the theory of charged-particle beam optics and the applications of transformation matrices for numerical computation of beam trajectories and properties, as applied in the program. (orig.)

  10. Non-coupled charge explosion and geo-mechanical dynamics

    Institute of Scientific and Technical Information of China (English)

    Zhou Fengjun; Li Xiaojun; Zhou Li; Zheng Lei

    2012-01-01

    The non-coupled charge explosion and geo-mechanical dynamics problem in real air condition is studied in this paper. It analyzes and calculates the problem by using the real air state equations. Through researching on the non- coupled charge rock bench blasting with big clearance of air, its result indicates that the borehole wall reflection over- pressure is far higher than strength of rock, but much lower than detonation front pressure of the charge. So non-coupled charge explosion blasting engineering is very successful. Furthermore, it introduces the method of shaft forming by blas- ting once and the new tube room technology. And the non-coupled charge explosion is used successfully in the method of shaft forming by blasting once. As it drills and blasts in the top and removes the broken rock from the bottom tunnel, it increases the construction efficiency significantly. This paper has important reference on the improvement of the large- span underground engineering construction.

  11. Transport of 3D space charge dominated beams

    International Nuclear Information System (INIS)

    In this paper we present the theoretical analysis and the computer code design for the intense pulsed beam transport. Intense beam dynamics is a very important issue in low-energy high-current accelerators and beam transport systems. This problem affects beam transmission and beam qualities. Therefore, it attracts the attention of the accelerator physicists worldwide. The analysis and calculation for the intense beam dynamics are very complicated, because the state of particle motion is dominated not only by the applied electromagnetic fields, but also by the beam-induced electromagnetic fields (self-fields). Moreover, the self-fields are related to the beam dimensions and particle distributions. So, it is very difficult to get the self-consistent solutions of particle motion analytically. For this reason, we combine the Lie algebraic method and the particle in cell (PIC) scheme together to simulate intense 3D beam transport. With the Lie algebraic method we analyze the particle nonlinear trajectories in the applied electromagnetic fields up to third order approximation, and with the PIC algorithm we calculate the space charge effects to the particle motion. Based on the theoretical analysis, we have developed a computer code, which calculates beam transport systems consisting of electrostatic lenses, electrostatic accelerating columns, solenoid lenses, magnetic and electric quadruples, magnetic sextupoles, octopuses and different kinds of electromagnetic analyzers. The optimization calculations and the graphic display for the calculated results are provided by the code. (authors)

  12. The Boltzmann equation theory of charged particle transport

    International Nuclear Information System (INIS)

    It is shown how a formally exact Kubo-like response theory equivalent to the Boltzmann equation theory of charged particle transport can be constructed. The response theory gives the general wavevector and time-dependent velocity distribution at any time in terms of an initial distribution function, to which is added the response induced by a generalized perturbation over the intervening time. The usual Kubo linear response result for the distribution function is recovered by choosing the initial velocity distribution to be Maxwellian. For completeness the response theory introduces an exponential convergence function into the response time integral. This is equivalent to using a modified Boltzmann equation but the general form of the transport theory is not changed. The modified transport theory can be used to advantage where possible convergence difficulties occur in numerical solutions of the Boltzmann equation. This paper gives a systematic development of the modified transport theory and shows how the response theory fits into the broader scheme of solving the Boltzmann equation. The discussion extends both the work of Kumar et al. (1980), where the distribution function is expanded out in terms of tensor functions, and the propagator description where the non-hydrodynamic time development of the distribution function is related to the wavevector dependent Green function of the Boltzmann equation

  13. Simulating charge transport to understand the spectral response of Swept Charge Devices

    CERN Document Server

    Athiray, P S; Narendranath, S; Gow, J P D

    2015-01-01

    Swept Charge Devices (SCD) are novel X-ray detectors optimized for improved spectral performance without any demand for active cooling. The Chandrayaan-1 X-ray Spectrometer (C1XS) experiment onboard the Chandrayaan-1 spacecraft used an array of SCDs to map the global surface elemental abundances on the Moon using the X-ray fluorescence (XRF) technique. The successful demonstration of SCDs in C1XS spurred an enhanced version of the spectrometer on Chandrayaan-2 using the next-generation SCD sensors. The objective of this paper is to demonstrate validation of a physical model developed to simulate X-ray photon interaction and charge transportation in a SCD. The model helps to understand and identify the origin of individual components that collectively contribute to the energy-dependent spectral response of the SCD. Furthermore, the model provides completeness to various calibration tasks, such as generating spectral response matrices (RMFs - redistribution matrix files), estimating efficiency, optimizing event...

  14. Theory of charge transport in molecular junctions: From Coulomb blockade to coherent tunneling

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Yao-Wen; Jin, Bih-Yaw, E-mail: byjin@ntu.edu.tw [Department of Chemistry and Center for Emerging Material and Advanced Devices and Center for Quantum Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

    2014-08-14

    We study charge transport through molecular junctions in the presence of electron-electron interaction using the nonequilibrium Green's function techniques and the renormalized perturbation theory. In the perturbation treatment, the zeroth-order Hamiltonian of the molecular junction is composed of independent single-impurity Anderson's models, which act as the channels where charges come through or occupy, and the interactions between different channels are treated as the perturbation. Using this scheme, the effects of molecule-lead, electron-electron, and hopping interactions are included nonperturbatively, and the charge transport processes can thus be studied in the intermediate parameter range from the Coulomb blockade to the coherent tunneling regimes. The concept of quasi-particles is introduced to describe the kinetic process of charge transport, and then the electric current can be studied and calculated. As a test study, the Hubbard model is used as the molecular Hamiltonian to simulate dimeric and trimeric molecular junctions. Various nonlinear current-voltage characteristics, including Coulomb blockade, negative differential resistance, rectification, and current hysteresis, are shown in the calculations, and the mechanisms are elucidated.

  15. Theory of charge transport in molecular junctions: From Coulomb blockade to coherent tunneling

    International Nuclear Information System (INIS)

    We study charge transport through molecular junctions in the presence of electron-electron interaction using the nonequilibrium Green's function techniques and the renormalized perturbation theory. In the perturbation treatment, the zeroth-order Hamiltonian of the molecular junction is composed of independent single-impurity Anderson's models, which act as the channels where charges come through or occupy, and the interactions between different channels are treated as the perturbation. Using this scheme, the effects of molecule-lead, electron-electron, and hopping interactions are included nonperturbatively, and the charge transport processes can thus be studied in the intermediate parameter range from the Coulomb blockade to the coherent tunneling regimes. The concept of quasi-particles is introduced to describe the kinetic process of charge transport, and then the electric current can be studied and calculated. As a test study, the Hubbard model is used as the molecular Hamiltonian to simulate dimeric and trimeric molecular junctions. Various nonlinear current-voltage characteristics, including Coulomb blockade, negative differential resistance, rectification, and current hysteresis, are shown in the calculations, and the mechanisms are elucidated

  16. Charge transport properties in microcrystalline KDyFe(China)6

    International Nuclear Information System (INIS)

    Microcrystalline solid dysprosium(III) hexacyanoferrate(II) was synthesized by co-precipitation in aqueous solution. The resulting solid has been studied by Fourier transform infrared spectroscopy, X-ray analysis and solid state electrochemistry. The use of a cavity microelectrode was necessary to explore a wide range of time scale and minimize the (undesired) capacitive currents. Cyclic voltametric experiments were very helpful to understand the kinetic of charge transfer in such microstructure. A structure-properties relationship has been established from the crystallographic and the electrochemical properties. A square-scheme is presented to explain the unique electrochemical behavior of hexacyanoferrate containing dysprosium since this compound exhibits a second redox system. The solid presents an open channel-like morphology in which the motion of charged species occurs during the redox processes. Precisely, the electronic transfer is accompanied by a cation diffusion inside the microcrystalline structure. The size of these channels strongly suggests that the kinetic of charge transfer is limited by the cation transport into these structures. - Graphical abstract: Dy and Fe polyhedra packing in the cell of KDyFe(China)6.3.5H2O shows occluded water molecules and potassium ions forming a pseudohexagonal 2D sub-lattice connected to each other by diffusion channels

  17. Simulating charge transport to understand the spectral response of Swept Charge Devices

    Science.gov (United States)

    Athiray, P. S.; Sreekumar, P.; Narendranath, S.; Gow, J. P. D.

    2015-11-01

    Context. Swept Charge Devices (SCD) are novel X-ray detectors optimized for improved spectral performance without any demand for active cooling. The Chandrayaan-1 X-ray Spectrometer (C1XS) experiment onboard the Chandrayaan-1 spacecraft used an array of SCDs to map the global surface elemental abundances on the Moon using the X-ray fluorescence (XRF) technique. The successful demonstration of SCDs in C1XS spurred an enhanced version of the spectrometer on Chandrayaan-2 using the next-generation SCD sensors. Aims: The objective of this paper is to demonstrate validation of a physical model developed to simulate X-ray photon interaction and charge transportation in a SCD. The model helps to understand and identify the origin of individual components that collectively contribute to the energy-dependent spectral response of the SCD. Furthermore, the model provides completeness to various calibration tasks, such as generating spectral matrices (RMFs - redistribution matrix files), estimating efficiency, optimizing event selection logic, and maximizing event recovery to improve photon-collection efficiency in SCDs. Methods: Charge generation and transportation in the SCD at different layers related to channel stops, field zones, and field-free zones due to photon interaction were computed using standard drift and diffusion equations. Charge collected in the buried channel due to photon interaction in different volumes of the detector was computed by assuming a Gaussian radial profile of the charge cloud. The collected charge was processed further to simulate both diagonal clocking read-out, which is a novel design exclusive for SCDs, and event selection logic to construct the energy spectrum. Results: We compare simulation results of the SCD CCD54 with measurements obtained during the ground calibration of C1XS and clearly demonstrate that our model reproduces all the major spectral features seen in calibration data. We also describe our understanding of interactions at

  18. Photoinduced Charge Transport in a BHJ Solar Cell Controlled by an External Electric Field

    OpenAIRE

    Yongqing Li; Yanting Feng; Mengtao Sun

    2015-01-01

    This study investigated theoretical photoinduced charge transport in a bulk heterojunction (BHJ) solar cell controlled by an external electric field. Our method for visualizing charge difference density identified the excited state properties of photoinduced charge transfer, and the charge transfer excited states were distinguished from local excited states during electronic transitions. Furthermore, the calculated rates for the charge transfer revealed that the charge transfer was strongly i...

  19. Testing double ionization mechanisms with highly-charged ions

    International Nuclear Information System (INIS)

    Double ionization of He target atoms by intermediate- to high-velocity charged ions is considered in terms of two mechanisms: (1) a two-step (TS) process in which both target electrons are removed in separate direct interactions with the projectile, and (2) a one-step mechanism in which one electron is liberated in a single projectile-target interaction followed by subsequent ''shakeoff'' (SO) of the second electron. Measured double-to-single ionization ratios are used to exhibit and test the underlying mechanisms of double ionization. It is found that these ratios exhibit a high degree of universality as a function of v/q, where v is the velocity of the ion and q is its charge. The results strongly suggest that the important factor in determining the regions of validity for TS and SO is the ionic charge divided by the impact velocity and not just the impact velocity itself

  20. Charge carrier transport properties in layer structured hexagonal boron nitride

    Science.gov (United States)

    Doan, T. C.; Li, J.; Lin, J. Y.; Jiang, H. X.

    2014-10-01

    Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (˜ 6.4 eV), hexagonal boron nitride (hBN) has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K). The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T0)-α with α = 3.02, satisfying the two-dimensional (2D) carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm-1), which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.

  1. Charge carrier transport properties in layer structured hexagonal boron nitride

    Directory of Open Access Journals (Sweden)

    T. C. Doan

    2014-10-01

    Full Text Available Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (˜ 6.4 eV, hexagonal boron nitride (hBN has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K. The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T0−α with α = 3.02, satisfying the two-dimensional (2D carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm-1, which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.

  2. Seesaw mechanism in turbulence and turbulent transport

    International Nuclear Information System (INIS)

    Full text: Theory of nonlocal transport has been developed, based upon the statistical theory of plasma turbulence. Essence is that fluctuations (with long radial correlation length) can be excited by nonlinear processes, although they are linearly stable. Experiments have reported the non-diffusive mechanisms in rapid response of transport between distant radii. Simulations have demonstrated that transport barrier can be established while increasing linear growth rate of local instabilities. These await application of theory of nonlocal transport. Example of such nonlinearly-driven, meso-scale fluctuations is the zonal flow (ZF). ZFs grow extracting energy from microscopic fluctuations so as to reduce the turbulence and turbulent transport. Because the radial correlation length of ZF is longer than those for microscopic fluctuations, which are inducing turbulent transport, ZF, which is driven fluctuations at one radius, can suppress fluctuations at distant radii. Thus, the fluctuations exchange energy over the distance that is much longer than autocorrelation length of microscopic fluctuations. This mechanism induces new nonlocal interactions in turbulent transport. That is, strong fluctuations at particular radius can suppress fluctuations at different radius, via induction of ZFs. Stronger fluctuations suppress weaker fluctuations. This is called the seesaw mechanism via ZFs. Owing to this mechanism, the turbulence transport is not determined by local parameters alone, but by parameters at far distance. The transient response is much faster than the process governed by diffusive processes. [This work is partly supported by the Grant-in-Aid for Specially-Promoted Research (16002005), the Grant-in-Aid for Scientific Research (19360418) and collaboration programme of NIFS.] (author)

  3. Molecular Mechanism of Biological Proton Transport

    Energy Technology Data Exchange (ETDEWEB)

    Pomes, R.

    1998-09-01

    Proton transport across lipid membranes is a fundamental aspect of biological energy transduction (metabolism). This function is mediated by a Grotthuss mechanism involving proton hopping along hydrogen-bonded networks embedded in membrane-spanning proteins. Using molecular simulations, the authors have explored the structural, dynamic, and thermodynamic properties giving rise to long-range proton translocation in hydrogen-bonded networks involving water molecules, or water wires, which are emerging as ubiquitous H{sup +}-transport devices in biological systems.

  4. Charged-Particle Bean Transport for Ion Trapping Experiments.

    Science.gov (United States)

    Raichle, Brian W.; Wingfield, Love M.

    2001-11-01

    Electrostatic Einsel lenses are being developed for beam transport for use in two distinct metastable atomic lifetime experiments using two separate rf-ion traps. Each system has been modeled using Simion software, and the lenses have been designed from commercially available eV-parts. The first application is part of an electron gun source. Electrons are produced by a conventional dispenser cathode and are transported 25 cm to the trap. The design goal is to create a beam divergence to fully illuminate the active trap volume, and to provide tunable electron energies from 50 to 500 eV. The second application is to transport ions 1 m from a laser ablation ion source to an rf ion trap. Laser ablation involves essentially boiling ions from a solid target with intense laser pulses. Here, the design goal is to maximize flux by maximizing the solid angle of acceptance to the trap, minimize radial velocity, and minimize the spread in axial velocity. Development of a laser ablation ion source external to the trap volume will allow a very low base pressure in the trap region, which will make possible the study of species with lifetimes approaching 1 s. In addition, laser ablation will produce intermediately-charged ions from non-conductive solid targets.

  5. Temperature dependence of charge transport in conjugated single molecule junctions

    Science.gov (United States)

    Huisman, Eek; Kamenetska, Masha; Venkataraman, Latha

    2011-03-01

    Over the last decade, the break junction technique using a scanning tunneling microscope geometry has proven to be an important tool to understand electron transport through single molecule junctions. Here, we use this technique to probe transport through junctions at temperatures ranging from 5K to 300K. We study three amine-terminated (-NH2) conjugated molecules: a benzene, a biphenyl and a terphenyl derivative. We find that amine groups bind selectively to undercoordinate gold atoms gold all the way down to 5K, yielding single molecule junctions with well-defined conductances. Furthermore, we find that the conductance of a single molecule junction increases with temperature and we present a mechanism for this temperature dependent transport result. Funded by a Rubicon Grant from The Netherlands Organisation for Scientific Research (NWO) and the NSEC program of NSF under grant # CHE-0641523.

  6. Measuring charge transport in nanopatterned PbS colloidal quantum dots using charge sensing

    Science.gov (United States)

    Ray, Nirat; Staley, Neal E.; Wanger, Darcy D.; Bawendi, Moungi G.; Kastner, Marc A.

    2014-03-01

    Colloidal quantum dots (CQDs) can self-assemble from solution into close-packed arrays, where the motion of electrons is expected to be correlated due to long-range coulomb interactions. In order to study electron transport in these arrays, measurement of conductance around zero bias is required. Devices fabricated using CQDs, however, tend to be highly resistive (owing to large tunnel barriers from the organic ligands), and techniques to increase the conductance, such as annealing, often lead to large scale cracking. We nanopattern PbS CQDs, using electron beam lithography and a liftoff process, adjacent to a charge sensor. The patterning process helps to eliminate cracking, and improve packing of the dots. By performing a time resolved measurement of charge through the dots, using the sensor, we are able to measure conductance values as low as 10- 19 Ω - 1 with a voltage bias of just 100mV. Our technique also allows us to map out the current voltage characteristics, even at low temperatures where the current becomes immeasurably small. We present the first transport measurements, near zero bias, on nanopatterned PbS quantum dots.

  7. Tuning The Optical, Charge Injection, and Charge Transport Properties of Organic Electronic Devices

    Science.gov (United States)

    Zalar, Peter

    Since the early 1900's, synthetic insulating polymers (plastics) have slowly taken over the role that traditional materials like wood or metal have had as basic components for construction, manufactured goods, and parts. Plastics allow for high throughput, low temperature processing, and control of bulk properties through molecular modifications. In the same way, pi-conjugated organic molecules are emerging as a possible substitute for inorganic materials due to their electronic properties. The semiconductive nature of pi-conjugated materials make them an attractive candidate to replace inorganic materials, primarily due to their promise for low cost and large-scale production of basic semiconducting devices such as light-emitting diodes, solar cells, and field-effect transistors. Before organic semiconductors can be realized as a commercial product, several hurdles must be cleared. The purpose of this dissertation is to address three distinct properties that dominate the functionality of devices harnessing these materials: (1) optical properties, (2) charge injection, and (3) charge transport. First, it is shown that the electron injection barrier in the emissive layer of polymer light-emitting diodes can be significantly reduced by processing of novel conjugated oligoelectrolytes or deoxyribonucleic acid atop the emissive layer. Next, the charge transport properties of several polymers could be modified by processing them from solvents containing small amounts of additives or by using regioregular and enantiopure chemical structures. It is then demonstrated that the optical and electronic properties of Lewis basic polymer structures can be readily modified by interactions with strongly electron-withdrawing Lewis acids. Through red-shifted absorption, photoluminescence, and electroluminescence, a single pi-conjugated backbone can be polychromatic. In addition, interaction with Lewis acids can remarkably p-dope the hole transport of the parent polymer, leading to a

  8. The thermoballistic transport model a novel approach to charge carrier transport in semiconductors

    CERN Document Server

    Lipperheide, Reinhard

    2014-01-01

    The book presents a comprehensive survey of the thermoballistic approach to charge carrier transport in semiconductors. This semi-classical approach, which the authors have developed over the past decade, bridges the gap between the opposing drift-diffusion and ballistic  models of carrier transport. While incorporating basic features of the latter two models, the physical concept underlying the thermoballistic approach constitutes a novel, unifying scheme. It is based on the introduction of "ballistic configurations" arising from a random partitioning of the length of a semiconducting sample into ballistic transport intervals. Stochastic averaging of the ballistic carrier currents over the ballistic configurations results in a position-dependent thermoballistic current, which is the key element of the thermoballistic concept and forms  the point of departure for the calculation of all relevant transport properties. In the book, the thermoballistic concept and its implementation are developed in great detai...

  9. Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

    KAUST Repository

    Shi, Dong

    2016-04-15

    We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9′-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD’s paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD’s intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells.

  10. Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

    Science.gov (United States)

    Shi, Dong; Qin, Xiang; Li, Yuan; He, Yao; Zhong, Cheng; Pan, Jun; Dong, Huanli; Xu, Wei; Li, Tao; Hu, Wenping; Brédas, Jean-Luc; Bakr, Osman M.

    2016-01-01

    We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9′-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD’s paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD’s intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells. PMID:27152342

  11. The charge transport in the nanoporous natural zeolite

    International Nuclear Information System (INIS)

    It was presented the electrical characterization of a natural zeolite plate and charge transport, it is studied the functions of pressure (4-760 Torr), temperatures (295-435 K) and diameter (5-25 mm) of the cathode areas in the gas discharge electronic devices (GDED) with nanoporous zeolite cathode (NZC) for the first time. There are not enough investigations devoted to conductivity of zeolites in a dc voltage mode. Comparison of current from GDED is used for the determination of the stabilization under low- and atmospheric pressure glow microdischarges conditions. It is found that the gas in zeolite pores ionizes and accordingly the number of electrons in the pores grows. It is of importance to have knowledge in peculiarities of operation of GDED. It can be supposed that cheap natural zeolite will be effective in low-power GDED

  12. Influence of functional groups on charge transport in molecular junctions

    DEFF Research Database (Denmark)

    Mowbray, Duncan; Jones, Glenn; Thygesen, Kristian Sommer

    2008-01-01

    demonstrates how ideas from functional group chemistry may be used to engineer a molecule's transport properties, as was shown experimentally and using a semiempirical model for BDA [Nano Lett. 7, 502 (2007)]. In particular, we show that the qualitative change in conductance due to a given functional group can...... the experimental values, but good agreement is obtained after correcting for self-interaction and image charge effects. (c) 2008 American Institute of Physics....... be predicted from its known electronic effect (whether it is sigma/pi donating/withdrawing). However, the influence of functional groups on a molecule's conductance is very weak, as was also found in the BDA experiments. The calculated DFT conductances for the BDA species are five times larger than...

  13. Charge transport in molecular junctions: From tunneling to hopping with the probe technique

    CERN Document Server

    Kilgour, Michael

    2015-01-01

    We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-B\\"uttiker's probe technique" can properly replicate different transport mechanisms: phase coherent nonresonant tunneling, ballistic behavior, and hopping conduction, to provide results consistent with experiments. Specifically, our simulations with the probe method recover the following central characteristics of charge transfer in molecular wires: (i) The electrical conductance of short wires falls off exponentially with molecular length, a manifestation of the tunneling (superexchange) mechanism. Hopping dynamics overtakes superexchange in long wires demonstrating an ohmic-like behavior. (ii) In off-resonance situations, weak dephasing effects facilitate charge transfer. Under large dephasing the electrical conductance is suppressed. (iii) At high enough temperatures, $k_BT/\\epsilon_B>1/25$, with $\\epsilon_B$ as ...

  14. Spin and charge transport in hybrid triplet Josephson junctions

    International Nuclear Information System (INIS)

    We report a theoretical study on the spin and charge transport in hybrid triplet Josephson junctions, of which the triplet pair potentials could have both different orbital symmetries and spin states. Based on a lattice model and a Hamiltonian method, we find that the spin/charge supercurrent is proportional to sin2ψ with ψ being the macroscopic superconducting phase, coming from the second-order Josephson effect, when the orbital symmetries of pair potentials in the two triplet superconductors are orthogonal to each other. A dissipationless transverse spin current is also found flowing at the interface of the junction and its polarization points along the cross-product of two d vectors, which arises from the combined effect of the orthogonal orbital symmetries and misalignment of d vectors. In a special hybrid junction, where the zero-energy states are absent at the interface of the junction, there is no net spin supercurrent flowing through the junction although two d vectors can be perpendicular to each other, whereas a mode-resolved spin supercurrent is flowing in the system instead.

  15. Magnetic fields facilitate DNA-mediated charge transport

    CERN Document Server

    Wong, Jiun Ru; Shu, Jian-Jun; Shao, Fangwei

    2015-01-01

    Exaggerate radical-induced DNA damage under magnetic fields is of great concerns to medical biosafety and to bio-molecular device based upon DNA electronic conductivity. In this report, the effect of applying an external magnetic field (MF) on DNA-mediated charge transport (CT) was investigated by studying guanine oxidation by a kinetics trap (8CPG) via photoirradiation of anthraquinone (AQ) in the presence of an external MF. Positive enhancement in CT efficiencies was observed in both the proximal and distal 8CPG after applying a static MF of 300 mT. MF assisted CT has shown sensitivities to magnetic field strength, duplex structures, and the integrity of base pair stacking. MF effects on spin evolution of charge injection upon AQ irradiation and alignment of base pairs to CT-active conformation during radical propagation were proposed to be the two major factors that MF attributed to facilitate DNA-mediated CT. Herein, our results suggested that the electronic conductivity of duplex DNA can be enhanced by a...

  16. Magnetic Fields Facilitate DNA-Mediated Charge Transport.

    Science.gov (United States)

    Wong, Jiun Ru; Lee, Kee Jin; Shu, Jian-Jun; Shao, Fangwei

    2015-06-01

    Exaggerated radical-induced DNA damage under magnetic fields is of great concern to medical biosafety and biomolecular electronic devices. In this report, the effects of an external magnetic field (MF) on DNA electronic conductivity were investigated by studying the efficiencies of photoinduced DNA-mediated charge transport (CT) via guanine damage. Under a static MF of 300 mT, positive enhancements in the decomposition of 8-cyclopropyldeoxyguanosine ((8CP)G) were observed at both the proximal and distal guanine doublets, indicating a more efficient propagation of radical cations and higher electronic conductivity of duplex DNA. MF-assisted CT has shown sensitivity to magnetic field strength, duplex structures, and the integrity of base pair stacking. Spin evolution of charge injection and the alignment of base pairs to the CT-active conformation during radical propagation were proposed to be the two major factors that MF contributes to facilitate DNA-mediated CT. Herein, MF-assisted CT may offer a new avenue for designing DNA-based electronic devices and unraveling MF effects on redox and radical relevant biological processes. PMID:25946473

  17. DNA Charge Transport: from Chemical Principles to the Cell.

    Science.gov (United States)

    Arnold, Anna R; Grodick, Michael A; Barton, Jacqueline K

    2016-01-21

    The DNA double helix has captured the imagination of many, bringing it to the forefront of biological research. DNA has unique features that extend our interest into areas of chemistry, physics, material science, and engineering. Our laboratory has focused on studies of DNA charge transport (CT), wherein charges can efficiently travel long molecular distances through the DNA helix while maintaining an exquisite sensitivity to base pair π-stacking. Because DNA CT chemistry reports on the integrity of the DNA duplex, this property may be exploited to develop electrochemical devices to detect DNA lesions and DNA-binding proteins. Furthermore, studies now indicate that DNA CT may also be used in the cell by, for example, DNA repair proteins, as a cellular diagnostic, in order to scan the genome to localize efficiently to damage sites. In this review, we describe this evolution of DNA CT chemistry from the discovery of fundamental chemical principles to applications in diagnostic strategies and possible roles in biology. PMID:26933744

  18. Mechanisms of Particle Charging by Surfactants in Nonpolar Dispersions.

    Science.gov (United States)

    Lee, Joohyung; Zhou, Zhang-Lin; Alas, Guillermo; Behrens, Sven Holger

    2015-11-10

    Electric charging of colloidal particles in nonpolar solvents plays a crucial role for many industrial applications and products, including rubbers, engine oils, toners, or electronic displays. Although disfavored by the low solvent permittivity, particle charging can be induced by added surfactants, even nonionic ones, but the underlying mechanism is poorly understood, and neither the magnitude nor the sign of charge can generally be predicted from the particle and surfactant properties. The conclusiveness of scientific studies has been limited partly by a traditional focus on few surfactant types with many differences in their chemical structure and often poorly defined composition. Here we investigate the surface charging of poly(methyl methacrylate) particles dispersed in hexane-based solutions of three purified polyisobutylene succinimide polyamine surfactants with "subtle" structural variations. We precisely vary the surfactant chemistry by replacing only a single electronegative atom located at a fixed position within the polar headgroup. Electrophoresis reveals that these small differences between the surfactants lead to qualitatively different particle charging. In the respective particle-free surfactant solutions we also find potentially telling differences in the size of the surfactant aggregates (inverse micelles), the residual water content, and the electric solution conductivity as well as indications for a significant size difference between oppositely charged inverse micelles of the most hygroscopic surfactant. An analysis that accounts for the acid/base properties of all constituents suggests that the observed particle charging is better described by asymmetric adsorption of charged inverse micelles from the liquid bulk than by charge creation at the particle surface. Intramicellar acid-base interaction and intermicellar surfactant exchange help rationalize the formation of micellar ions pairs with size asymmetry. PMID:26484617

  19. Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

    NARCIS (Netherlands)

    Senthilkumar, K.; Grozema, F.C.; Bickelhaupt, F.M.; Siebbeles, L.D.A.

    2003-01-01

    Values of charge transfer integrals, spatial overlap integrals and site energies involved in transport of positive charges along columnar stacked triphenylene derivatives are provided. These parameters were calculated directly as the matrix elements of the Kohn–Sham Hamiltonian, defined in terms of

  20. Modeling molecular conduction in DNA wires: Charge transfer theories and dissipative quantum transport

    OpenAIRE

    Bulla, R; Gutierrez, R.; Cuniberti, G.

    2006-01-01

    Measurements of electron transfer rates as well as of charge transport characteristics in DNA produced a number of seemingly contradictory results, ranging from insulating behaviour to the suggestion that DNA is an efficient medium for charge transport. Among other factors, environmental effects appear to play a crucial role in determining the effectivity of charge propagation along the double helix. This chapter gives an overview over charge transfer theories and their implication for addres...

  1. Charge transport and recombination in P3HT:PbS solar cells

    International Nuclear Information System (INIS)

    The charge carrier transport in thin film hybrid solar cells is analyzed and correlated with device performance and the mechanisms responsible for recombination loss. The hybrid bulk heterojunction consisted of a blend of poly(3-hexylthiophene) (P3HT) and small size (2.4 nm) PbS quantum dots (QDs). The charge transport in the P3HT:PbS blends was determined by measuring the space-charge limited current in hole-only and electron-only devices. When the loading of PbS QDs exceeds the percolation threshold, a significant increase of the electron mobility is observed in the blend with PbS QDs. The hole mobility, on the other hand, only slightly decreased upon increasing the loading of PbS QDs. We also showed that the photocurrent is limited by the low shunt resistance rather than by space-charge effects. The significant reduction of the fill factor at high light intensity suggests that under these conditions the non-geminate recombination dominates. However, at open-circuit conditions, the trap-assisted recombination dominates over non-geminate recombination

  2. Charge transport and mobility engineering in two-dimensional transition metal chalcogenide semiconductors.

    Science.gov (United States)

    Li, Song-Lin; Tsukagoshi, Kazuhito; Orgiu, Emanuele; Samorì, Paolo

    2016-01-01

    Two-dimensional (2D) van der Waals semiconductors represent the thinnest, air stable semiconducting materials known. Their unique optical, electronic and mechanical properties hold great potential for harnessing them as key components in novel applications for electronics and optoelectronics. However, the charge transport behavior in 2D semiconductors is more susceptible to external surroundings (e.g. gaseous adsorbates from air and trapped charges in substrates) and their electronic performance is generally lower than corresponding bulk materials due to the fact that the surface and bulk coincide. In this article, we review recent progress on the charge transport properties and carrier mobility engineering of 2D transition metal chalcogenides, with a particular focus on the markedly high dependence of carrier mobility on thickness. We unveil the origin of this unique thickness dependence and elaborate the devised strategies to master it for carrier mobility optimization. Specifically, physical and chemical methods towards the optimization of the major factors influencing the extrinsic transport such as electrode/semiconductor contacts, interfacial Coulomb impurities and atomic defects are discussed. In particular, the use of ad hoc molecules makes it possible to engineer the interface with the dielectric and heal the vacancies in such materials. By casting fresh light on the theoretical and experimental studies, we provide a guide for improving the electronic performance of 2D semiconductors, with the ultimate goal of achieving technologically viable atomically thin (opto)electronics. PMID:26593874

  3. Charge transport and ac response under light illumination in gate-modulated DNA molecular junctions

    Science.gov (United States)

    Zhang, Yan; Zhu, Wen-Huan; Ding, Guo-Hui; Dong, Bing; Wang, Xue-Feng

    2015-05-01

    Using a two-strand tight-binding model and within nonequilibrium Green's function approach, we study charge transport through DNA sequences {{(GC)}{{NGC}}} and {{(GC)}1}{{(TA)}{{NTA}}}{{(GC)}3} sandwiched between two Pt electrodes. We show that at low temperature DNA sequence {{(GC)}{{NGC}}} exhibits coherent charge carrier transport at very small bias, since the highest occupied molecular orbital in the GC base pair can be aligned with the Fermi energy of the metallic electrodes by a gate voltage. A weak distance dependent conductance is found in DNA sequence {{(GC)}1}{{(TA)}{{NTA}}}{{(GC)}3} with large NTA. Different from the mechanism of thermally induced hopping of charges proposed by the previous experiments, we find that this phenomenon is dominated by quantum tunnelling through discrete quantum well states in the TA base pairs. In addition, ac response of this DNA junction under light illumination is also investigated. The suppression of ac conductances of the left and right lead of DNA sequences at some particular frequencies is attributed to the excitation of electrons in the DNA to the lead Fermi surface by ac potential, or the excitation of electrons in deep DNA energy levels to partially occupied energy levels in the transport window. Therefore, measuring ac response of DNA junctions can reveal a wealth of information about the intrinsic dynamics of DNA molecules.

  4. Three dimensional fixed charge bi-criterion indefinite quadratic transportation problem

    OpenAIRE

    Arora S.R.; Khurana Archana

    2004-01-01

    The three-dimensional fixed charge transportation problem is an extension of the classical three-dimensional transportation problem in which a fixed cost is incurred for every origin. In the present paper three-dimensional fixed charge bi-criterion indefinite quadratic transportation problem, giving the same priority to cost as well as time, is studied. An algorithm to find the efficient cost-time trade off pairs in a three dimensional fixed charge bi-criterion indefinite quadratic transporta...

  5. Models of charge transport and transfer in molecular switch tunnel junctions of bistable catenanes and rotaxanes

    International Nuclear Information System (INIS)

    The processes by which charge transfer can occur play a foundational role in molecular electronics. Here we consider simplified models of the transfer processes that could be present in bistable molecular switch tunnel junction (MSTJ) devices during one complete cycle of the device from its low- to high- and back to low-conductance state. The bistable molecular switches, which are composed of a monolayer of either switchable catenanes or rotaxanes, exist in either a ground-state co-conformation or a metastable one in which the conduction properties of the two co-conformations, when measured at small biases (+0.1 V), are significantly different irrespective of whether transport is dominated by tunneling or hopping. The voltage-driven generation (±2 V) of molecule-based redox states, which are sufficiently long-lived to allow the relative mechanical movements necessary to switch between the two co-conformations, rely upon unequal charge transfer rates on to and/or off of the molecules. Surface-enhanced Raman spectroscopy has been used to image the ground state of the bistable rotaxane in MSTJ-like devices. Consideration of these models provide new ways of looking at molecular electronic devices that rely, not only on nanoscale charge-transport, but also upon the bustling world of molecular motion in mechanically interlocked bistable molecules

  6. Intrinsic slow charge response in the perovskite solar cells: Electron and ion transport

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Jiangjian; Xu, Xin; Zhang, Huiyin; Luo, Yanhong; Li, Dongmei; Meng, Qingbo, E-mail: qbmeng@iphy.ac.cn [Key Laboratory for Renewable Energy, Chinese Academy of Sciences, Beijing 100190 (China); Beijing Key Laboratory for New Energy Materials and Devices, Beijing 100190 (China); Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2015-10-19

    The intrinsic charge response and hysteresis characteristic in the perovskite solar cell has been investigated by an electrically modulated transient photocurrent technology. An ultraslow charge response process in the timescale of seconds is observed, which can be well explained by the ion migration in the perovskite CH{sub 3}NH{sub 3}PbI{sub 3} film driven by multiple electric fields derived from the heterojunction depletion charge, the external modulation, and the accumulated ion charge. Furthermore, theoretical calculation of charge transport reveals that the hysteresis behavior is also significantly influenced by the interfacial charge extraction velocity and the carrier transport properties inside the cell.

  7. Intrinsic slow charge response in the perovskite solar cells: Electron and ion transport

    International Nuclear Information System (INIS)

    The intrinsic charge response and hysteresis characteristic in the perovskite solar cell has been investigated by an electrically modulated transient photocurrent technology. An ultraslow charge response process in the timescale of seconds is observed, which can be well explained by the ion migration in the perovskite CH3NH3PbI3 film driven by multiple electric fields derived from the heterojunction depletion charge, the external modulation, and the accumulated ion charge. Furthermore, theoretical calculation of charge transport reveals that the hysteresis behavior is also significantly influenced by the interfacial charge extraction velocity and the carrier transport properties inside the cell

  8. Metal-Molecule Contacts: From Adsorption to Charge Transport

    International Nuclear Information System (INIS)

    Full text: Highly ordered monolayers and thin films of electrically active molecules on single crystal metal surfaces are excellent model systems for metal-molecule contacts. They can be used to study fundamental properties of metal-molecule contacts, employing a wide range of surface analytical techniques. In this talk I will give examples of our recent work regarding structure and bonding at the organic-metal interface, interface energetics, and precision measurements of current transport through metal-adsorbed molecules using an STM tip. The adsorption of large organic molecules on metal surfaces is often affected by a sizeable contribution of van der Waals attraction to the interaction energy. This makes theoretical simulations challenging. Precise measurements of structural parameters of adsorbed molecules are therefore important as benchmarks for novel simulation approaches. On the other hand, with a universal theoretical description still missing, empirical rules, such as the scaling of the adsorption height with the substrate work function that was observed for PTCDA on noble metal surfaces, provide important guidelines for our understanding. Apart from the molecule-substrate interaction, intermolecular interactions play an important role. For example, networks of hydrogen bonds can influence the internal geometry of adsorbed molecules and their adsorption height, whereas intermolecular polarization screening can influence their electronic structure. Adsorbed molecules on single-crystal surfaces are also an excellent starting point for precise and well-controlled charge transport experiments through individual molecules, because with an STM they can be contacted at a defined position within the molecule. In this way, the influence of electron correlation on quantum transport can be studied. Finally, we show that if an STM is equipped with a single D2 molecule that is confined in the STM junction, Pauli repulsion is probed and can be used to record images of

  9. Charge Transport and Transfer at the Nanoscale Between Metals and Novel Conjugated Materials

    Science.gov (United States)

    Worne, Jeffrey Howard

    Organic semiconductors (OSCs) and graphene are two classes of conjugated materials that hold promise to create flexible electronic displays, high speed transistors, and low-cost solar cells. Crucial to understanding the behavior of these materials is understanding the effects metallic contacts have on the local charge environment. Additionally, characterizing the charge carrier transport behavior within these materials sheds light on the physical mechanisms behind transport. The first part of this thesis examines the origin of the low-temperature, high electric field transport behavior of OSCs. Two chemically distinct OSCs are used, poly-3(hexylthiophene) (P3HT) and 6,13-bis(triisopropyl-silylethynyl) (TIPS) pentacene. Several models explaining the low-temperature behavior are presented, with one using the Tomonaga-Luttinger liquid (TLL) insulator-to-metal transition model and one using a field-emission hopping model. While the TLL model is only valid for 1-dimensional systems, it is shown to work for both P3HT (1D) and TIPS-pentacene (2D), suggesting the TLL model is not an appropriate description of these systems. Instead, a cross-over from thermally-activated hopping to field-emission hopping is shown to explain the data well. The second part of this thesis focuses on the interaction between gold and platinum contacts and graphene using suspended graphene over sub-100 nanometer channels. Contacts to graphene can strongly dominate charge transport and mobility as well as significantly modify the charge environment local to the contacts. Platinum electrodes are discovered to be strong dopants to graphene at short length scales while gold electrodes do not have the same effect. By increasing the separation distance between the electrodes, this discrepancy is shown to disappear, suggesting an upper limit on charge diffusion from the contacts. Finally, this thesis will discuss a novel technique to observe the high-frequency behavior in OSCs using two microwave

  10. Charge transport-driven selective oxidation of graphene

    Science.gov (United States)

    Lee, Young Keun; Choi, Hongkyw; Lee, Changhwan; Lee, Hyunsoo; Goddeti, Kalyan C.; Moon, Song Yi; Doh, Won Hui; Baik, Jaeyoon; Kim, Jin-Soo; Choi, Jin Sik; Choi, Choon-Gi; Park, Jeong Young

    2016-06-01

    Due to the tunability of the physical, electrical, and optical characteristics of graphene, precisely controlling graphene oxidation is of great importance for potential applications of graphene-based electronics. Here, we demonstrate a facile and precise way for graphene oxidation controlled by photoexcited charge transfer depending on the substrate and bias voltage. It is observed that graphene on TiO2 is easily oxidized under UV-ozone treatment, while graphene on SiO2 remains unchanged. The mechanism for the selective oxidation of graphene on TiO2 is associated with charge transfer from the TiO2 to the graphene. Raman spectra were used to investigate the graphene following applied bias voltages on the graphene/TiO2 diode under UV-ozone exposure. We found that under a reverse bias of 0.6 V on the graphene/TiO2 diode, graphene oxidation was accelerated under UV-ozone exposure, thus confirming the role of charge transfer between the graphene and the TiO2 that results in the selective oxidation of the graphene. The selective oxidation of graphene can be utilized for the precise, nanoscale patterning of the graphene oxide and locally patterned chemical doping, finally leading to the feasibility and expansion of a variety of graphene-based applications.Due to the tunability of the physical, electrical, and optical characteristics of graphene, precisely controlling graphene oxidation is of great importance for potential applications of graphene-based electronics. Here, we demonstrate a facile and precise way for graphene oxidation controlled by photoexcited charge transfer depending on the substrate and bias voltage. It is observed that graphene on TiO2 is easily oxidized under UV-ozone treatment, while graphene on SiO2 remains unchanged. The mechanism for the selective oxidation of graphene on TiO2 is associated with charge transfer from the TiO2 to the graphene. Raman spectra were used to investigate the graphene following applied bias voltages on the graphene/TiO2

  11. Charge transport models for reliability engineering of semiconductor devices

    International Nuclear Information System (INIS)

    The simulation of semiconductor devices is important for the assessment of device lifetimes before production. In this context, this work investigates the influence of the charge carrier transport model on the accuracy of bias temperature instability and hot-carrier degradation models in MOS devices. For this purpose, a four-state defect model based on a non-radiative multi phonon (NMP) theory is implemented to study the bias temperature instability. However, the doping concentrations typically used in nano-scale devices correspond to only a small number of dopants in the channel, leading to fluctuations of the electrostatic potential. Thus, the granularity of the doping cannot be ignored in these devices. To study the bias temperature instability in the presence of fluctuations of the electrostatic potential, the advanced drift diffusion device simulator Minimos-NT is employed. In a first effort to understand the bias temperature instability in p-channel MOSFETs at elevated temperatures, data from direct-current-current-voltage measurements is successfully reproduced using a four-state defect model. Differences between the four-state defect model and the commonly employed trapping model from Shockley, Read and Hall (SRH) have been investigated showing that the SRH model is incapable of reproducing the measurement data. This is in good agreement with the literature, where it has been extensively shown that a model based on SRH theory cannot reproduce the characteristic time constants found in BTI recovery traces. Upon inspection of recorded recovery traces after bias temperature stress in n-channel MOSFETs it is found that the gate current is strongly correlated with the drain current (recovery trace). Using a random discrete dopant model and non-equilibrium greens functions it is shown that direct tunnelling cannot explain the magnitude of the gate current reduction. Instead it is found that trap-assisted tunnelling, modelled using NMP theory, is the cause of this

  12. Space-charge transport limits of ion beams in periodic quadrupole focusing channels

    CERN Document Server

    Lund, S M; Lund, Steven M.; Chawla, Sugreev R.

    2006-01-01

    It has been empirically observed in both experiments and particle-in-cell simulations that space-charge-dominated beams suffer strong growth in statistical phase-space area (degraded quality) and particle losses in alternating gradient quadrupole transport channels when the undepressed phase advance sigma_0 increases beyond about 85 degrees per lattice period. Although this criterion has been used extensively in practical designs of strong focusing intense beam transport lattices, the origin of the limit has not been understood. We propose a mechanism for the transport limit resulting from classes of halo particle resonances near the core of the beam that allow near-edge particles to rapidly increase in oscillation amplitude when the space-charge intensity and the flutter of the matched beam envelope are both sufficiently large. When coupled with a diffuse beam edge and/or perturbations internal to the beam core that can drive particles outside the edge, this mechanism can result in large and rapid halo-drive...

  13. Charge transport in films of Geobacter sulfurreducens on graphite electrodes as a function of film thickness

    KAUST Repository

    Jana, Partha Sarathi

    2014-01-01

    Harnessing, and understanding the mechanisms of growth and activity of, biofilms of electroactive bacteria (EAB) on solid electrodes is of increasing interest, for application to microbial fuel and electrolysis cells. Microbial electrochemical cell technology can be used to generate electricity, or higher value chemicals, from organic waste. The capability of biofilms of electroactive bacteria to transfer electrons to solid anodes is a key feature of this emerging technology, yet the electron transfer mechanism is not fully characterized as yet. Acetate oxidation current generated from biofilms of an EAB, Geobacter sulfurreducens, on graphite electrodes as a function of time does not correlate with film thickness. Values of film thickness, and the number and local concentration of electrically connected redox sites within Geobacter sulfurreducens biofilms as well as a charge transport diffusion co-efficient for the biofilm can be estimated from non-turnover voltammetry. The thicker biofilms, of 50 ± 9 μm, display higher charge transport diffusion co-efficient than that in thinner films, as increased film porosity of these films improves ion transport, required to maintain electro-neutrality upon electrolysis. This journal is © the Partner Organisations 2014.

  14. A new parameter to characterize the charge transport regime in Ni/HfO2/Si-n+-based RRAMs

    Science.gov (United States)

    Villena, M. A.; Roldán, J. B.; González, M. B.; González-Rodelas, P.; Jiménez-Molinos, F.; Campabadal, F.; Barrera, D.

    2016-04-01

    In this work, a new parameter is defined to describe the charge transport regime and to understand the physics behind the operation of Ni/HfO2/Si-n+-based RRAMs. An extraction process of the parameter from experimental reset I-V curves is proposed. The new parameter allows to know the relative importance of the two main transport mechanisms involved in the charge conduction in the low resistance state of the device: a tunneling current through a potential barrier and an ohmic component. A complete simulation study on this issue is provided. Furthermore, the reset voltage can be estimated using this new parameter.

  15. Charge Transport in Dendrimer Melt using Multiscale Modeling Simulation

    CERN Document Server

    Bag, Saientan; Maiti, Prabal K

    2016-01-01

    In this paper we present a theoretical calculation of the charge carrier mobility in two different dendrimeric melt system (Dendritic phenyl azomethine with Triphenyl amine core and Dendritic Carbazole with Cyclic Phenylazomethine as core), which have recently been reported1 to increase the efficiency of Dye-Sensitized solar cells (DSSCs) by interface modification. Our mobility calculation, which is a combination of molecular dynamics simulation, first principles calculation and kinetic Monte Carlo simulation, leads to mobilities that are in quantitative agreement with available experimental data. We also show how the mobility depends on the dendrimer generation. Furthermore, we examine the variation of mobility with external electric field and external reorganization energy. Physical mechanisms behind observed electric field and generation dependencies of mobility are also explored.

  16. Modeling energy and charge transports in pi-conjugated systems

    Science.gov (United States)

    Shin, Yongwoo

    Carbon based pi-conjugated materials, such as conducting polymers, fullerene, carbon nanotubes, graphene, and conjugated dendrimers have attracted wide scientific attentions in the past three decades. This work presents the first unified model Hamiltonian that can accurately capture the low-energy excitations among all these pi-conjugated systems, even with the presence of defects and heterogeneous sites. Two transferable physical parameters are incorporated into the Su-Schrieffer-Heeger Hamiltonian to model conducting polymers beyond polyacetylene: the parameter gamma scales the electronphonon coupling strength in aromatic rings and the other parameter epsilon specifies the heterogeneous core charges. This generic Hamiltonian predicts the fundamental band gaps of polythiophene, polypyrrole, polyfuran, poly-(p-phenylene), poly-(p-phenylene vinylene), polyacenes, fullerene, carbon nanotubes, graphene, and graphene nanoribbons with an accuracy exceeding time-dependent density functional theory. Its computational costs for moderate-length polymer chains are more than eight orders of magnitude lower than first-principles approaches. The charge and energy transports along -conjugated backbones can be modeled on the adiabatic potential energy surface. The adiabatic minimum-energy path of a self-trapped topological soliton is computed for trans-polyacetylene. The frequently cited activation barrier via a ridge shift of the hyper-tangent order parameter overestimates its true value by 14 orders of magnitude. Self-trapped solitons migrate along the Goldstone mode direction with continuously adjusted amplitudes so that a small-width soliton expands and a large-width soliton shrinks when they move uphill. A soliton with the critical width may migrate without any amplitude modifications. In an open chain as solitons move from the chain center toward a chain edge, the minimum-energy path first follows a tilted washboard. Such a generic constrained Goldstone mode relaxation

  17. Microstructure defects mediated charge transport in Nb-doped epitaxial BaTiO3 thin films

    Science.gov (United States)

    Zhou, Jian; Jing, Xiaosai; Alexe, Marin; Dai, Jiyan; Qin, Minghui; Wu, Sujuan; Zeng, Min; Gao, Jinwei; Lu, Xubing; Liu, J.-M.

    2016-05-01

    Nb-doped BaTiO3 (BNTO) films were deposited on MgO substrates at different substrate temperatures by pulsed laser deposition. The temperature dependence of their resistivity, carrier mobility and carrier concentration were systematically investigated. It reveals that the BNTO films deposited at lower temperature show higher resistivity and lower carrier mobility, and only show semiconductor characteristics at measurement temperatures ranging from 10 to 400 K. There is a metal-semiconductor transition at about 20 K for the films grown at relatively higher temperature. The intrinsic mechanism responsible for the different charge transport behavior was revealed by microstructure studies. Low crystal quality and high density of microstructure defects, observed for BNTO films grown at low temperatures, are, in particular, massively affecting the charge transport behavior of the BNTO films. The mediated charge transport of the microstructure defects is dominated by the thermal excitation process.

  18. Peculiarities of charge transport in a semiconductor gas discharge electronic devices

    International Nuclear Information System (INIS)

    The memory effect in planar semiconductor gas discharge system at different pressures (15-760) and interelectrode distance (60-445 μm) were experimentally studied. The study was performed on the bases of current-voltage characteristic (CVC) measurements with the time lag of several hours of afterglow periods. The influence of the active space-charge remaining from previous discharge on the breakdown voltage has been analyzed using the CVC method for different conductivity of semiconductor GaAs photocathode. On the other hand, the CVC data for subsequent dates present a correlation of memory effect and hysteresis behaviour. The explanation of such relation is based on the influence of long-lived active charges on the electronic transport mechanism of semiconductor material

  19. Feline hepatic biotransformation and transport mechanisms

    OpenAIRE

    Beusekom, C.D. van

    2015-01-01

    Hepatic biotransformation and drug transport mechanisms vary significantly between species. While these processes that determine largely the kinetic behavior of drugs have been studied abundantly in dogs, corresponding investigations in cats are hardly available, despite the increasing role of cats in veterinary practice, following the increasing popularity of cats in The Netherlands. Drug intolerance, toxic side effects or a lack of efficacy have been observed when treating feline patients w...

  20. Controllable spin-charge transport in strained graphene nanoribbon devices

    Energy Technology Data Exchange (ETDEWEB)

    Diniz, Ginetom S., E-mail: ginetom@gmail.com; Guassi, Marcos R. [Institute of Physics, University of Brasília, 70919-970, Brasília-DF (Brazil); Qu, Fanyao [Institute of Physics, University of Brasília, 70919-970, Brasília-DF (Brazil); Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States)

    2014-09-21

    We theoretically investigate the spin-charge transport in two-terminal device of graphene nanoribbons in the presence of a uniform uniaxial strain, spin-orbit coupling, exchange field, and smooth staggered potential. We show that the direction of applied strain can efficiently tune strain-strength induced oscillation of band-gap of armchair graphene nanoribbon (AGNR). It is also found that electronic conductance in both AGNR and zigzag graphene nanoribbon (ZGNR) oscillates with Rashba spin-orbit coupling akin to the Datta-Das field effect transistor. Two distinct strain response regimes of electronic conductance as function of spin-orbit couplings magnitude are found. In the regime of small strain, conductance of ZGNR presents stronger strain dependence along the longitudinal direction of strain. Whereas for high values of strain shows larger effect for the transversal direction. Furthermore, the local density of states shows that depending on the smoothness of the staggered potential, the edge states of AGNR can either emerge or be suppressed. These emerging states can be determined experimentally by either spatially scanning tunneling microscope or by scanning tunneling spectroscopy. Our findings open up new paradigms of manipulation and control of strained graphene based nanostructure for application on novel topological quantum devices.

  1. Charge transport through one-dimensional Moiré crystals.

    Science.gov (United States)

    Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Della Rocca, Maria Luisa; Lafarge, Philippe; Charlier, Jean-Christophe

    2016-01-01

    Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations. PMID:26786067

  2. Charge transport in DNA nanowires connected to carbon nanotubes

    Science.gov (United States)

    Tan, Bikan; Hodak, Miroslav; Lu, Wenchang; Bernholc, J.

    2015-08-01

    DNA is perhaps the worlds most controllable nanowire, with potential applications in nanoelectronics and sensing. However, understanding of its charge transport (CT) properties remains elusive, with experiments reporting a wide range of behaviors from insulating to superconductive. We report extensive first-principle simulations that account for DNA's high flexibility and its native solvent environment. The results show that the CT along the DNA's long axis is strongly dependent on DNA's instantaneous conformation varying over many orders of magnitude. In high CT conformations, delocalized conductive states extending over up to 10 base pairs are found. Their low exponential decay constants further indicate that coherent CT, which is assumed to be active only over 2-3 base pairs in the commonly accepted DNA CT models, can act over much longer length scales. We also identify a simple geometrical rule that predicts CT properties of a given conformation with high accuracy. The effect of mismatched base pairs is also considered: while they decrease conductivities of specific DNA conformations, thermally induced conformational fluctuations wash out this effect. Overall, our results indicate that an immobilized partially dried poly(G)-poly(C) B-DNA is preferable for nanowire applications.

  3. Charge-transport anisotropy in black phosphorus: critical dependence on the number of layers.

    Science.gov (United States)

    Banerjee, Swastika; Pati, Swapan K

    2016-06-28

    Phosphorene is a promising candidate for modern electronics because of the anisotropy associated with high electron-hole mobility. Additionally, superior mechanical flexibility allows the strain-engineering of various properties including the transport of charge carriers in phosphorene. In this work, we have shown the criticality of the number of layers to dictate the transport properties of black phosphorus. Trilayer black phosphorus (TBP) has been proposed as an excellent anisotropic material, based on the transport parameters using Boltzmann transport formalisms coupled with density functional theory. The mobilities of both the electron and the hole are found to be higher along the zigzag direction (∼10(4) cm(2) V(-1) s(-1) at 300 K) compared to the armchair direction (∼10(2) cm(2) V(-1) s(-1)), resulting in the intrinsic directional anisotropy. Application of strain leads to additional electron-hole anisotropy with 10(3) fold higher mobility for the electron compared to the hole. Critical strain for maximum anisotropic response has also been determined. Whether the transport anisotropy is due to the spatial or charge-carrier has been determined through analyses of the scattering process of electrons and holes, and their recombination as well as relaxation dynamics. In this context, we have derived two descriptors (S and F(k)), which are general enough for any 2D or quasi-2D systems. Information on the scattering involving purely the carrier states also helps to understand the layer-dependent photoluminescence and electron (hole) relaxation in black phosphorus. Finally, we justify trilayer black phosphorus (TBP) as the material of interest with excellent transport properties. PMID:27257640

  4. Providing Authentication & Authorization Mechanisms for Active Service Charging

    OpenAIRE

    Bagnulo, Marcelo; Alarcos, Bernardo; Calderón, María; Marifeli, Sedano

    2002-01-01

    Active network technology enables fast deployment of new network services tailored to the specific needs of end users, among others features. Nevertheless proper charging for these new added value services require suitable authentication and authorization mechanisms. In this article we describe a security architecture for SARA (Simple Active Router-Assistant) architecture, an active network platform deployed in the context of the IST-GCAP project. The proposed solution provides all the requir...

  5. Charge transport properties of metal/metal-phthalocyanine/n-Si structures

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Afzal

    2010-12-16

    In present work the charge transport properties of metal/metal-phthalocyanine/n-Si structures with low (N{sub D} = 4 x 10{sup 14} cm{sup -3}), medium (N{sub D}=1 x 10{sup 16} cm{sup -3}) and high (N{sub D}=2 x 10{sup 19} cm{sup -3}) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in the corresponding devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc/n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc/n-Si interface of the devices. The results also suggest that the work function difference at the CuPc/n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc/n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al/ZnPc/medium n-Si and Au/ZnPc/ medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc/n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the

  6. The effect of surface transport on water desalination by porous electrodes undergoing capacitive charging

    CERN Document Server

    Shocron, Amit N

    2016-01-01

    Capacitive deionization (CDI) is a technology in which water is desalinated by ion electrosorption into the electric double layers (EDLs) of charging porous electrodes. In recent years significant advances have been made in modeling the charge and salt dynamics in a CDI cell, but the possible effect of surface transport within diffuse EDLs on these dynamics has not been investigated. We here present theory which includes surface transport in describing the dynamics of a charging CDI cell. Through our numerical solution to the presented models, the possible effect of surface transport on the CDI process is elucidated. While at some model conditions surface transport enhances the rate of CDI cell charging, counter-intuitively this additional transport pathway is found to slow down cell charging at other model conditions.

  7. The effect of surface transport on water desalination by porous electrodes undergoing capacitive charging

    OpenAIRE

    Shocron, Amit N.; Suss, Matthew E.

    2016-01-01

    Capacitive deionization (CDI) is a technology in which water is desalinated by ion electrosorption into the electric double layers (EDLs) of charging porous electrodes. In recent years significant advances have been made in modeling the charge and salt dynamics in a CDI cell, but the possible effect of surface transport within diffuse EDLs on these dynamics has not been investigated. We here present theory which includes surface transport in describing the dynamics of a charging CDI cell. Thr...

  8. Direct Observation of the Hole Carriers in DNA Photoinduced Charge Transport.

    Science.gov (United States)

    Harris, Michelle A; Mishra, Ashutosh Kumar; Young, Ryan M; Brown, Kristen E; Wasielewski, Michael R; Lewis, Frederick D

    2016-05-01

    The excited state behavior of DNA hairpins possessing a diphenylacetylenedicarboxamide (DPA) linker separated from a single guanine-cytosine (G-C) base pair by zero-to-six adenine-thymine (A-T) base pairs has been investigated. In the case of hairpins with zero or one A-T separating DPA and G, formation of both DPA anion radical (DPA(-•)) and G cation radical (G(+•)) are directly observed and characterized by their transient absorption and stimulated Raman spectra. For hairpins with two or more intervening A-T, the transient absorption spectra of DPA(-•) and the adenine polaron (An(+•)) are observed. In addition to characterization of the hole carriers, the dynamics of each step in the charge separation and charge recombination process as well as the overall efficiency of charge separation have been determined, thus providing a complete account of the mechanism and dynamics of photoinduced charge transport in these DNA hairpins. PMID:27082662

  9. Role of different scattering mechanisms on the temperature dependence of transport in graphene

    Science.gov (United States)

    Sarkar, Suman; Amin, Kazi Rafsanjani; Modak, Ranjan; Singh, Amandeep; Mukerjee, Subroto; Bid, Aveek

    2015-11-01

    Detailed experimental and theoretical studies of the temperature dependence of the effect of different scattering mechanisms on electrical transport properties of graphene devices are presented. We find that for high mobility devices the transport properties are mainly governed by completely screened short range impurity scattering. On the other hand, for the low mobility devices transport properties are determined by both types of scattering potentials - long range due to ionized impurities and short range due to completely screened charged impurities. The results could be explained in the framework of Boltzmann transport equations involving the two independent scattering mechanisms.

  10. Single molecule electron transport junctions: Charging and geometric effects on conductance

    Science.gov (United States)

    Andrews, David Q.; Cohen, Revital; Van Duyne, Richard P.; Ratner, Mark A.

    2006-11-01

    A p-benzenedithiolate (BDT) molecule covalently bonded between two gold electrodes has become one of the model systems utilized for investigating molecular transport junctions. The plethora of papers published on the BDT system has led to varying conclusions with respect to both the mechanism and the magnitude of transport. Conductance variations have been attributed to difficulty in calculating charge transfer to the molecule, inability to locate the Fermi energy accurately, geometric dispersion, and stochastic switching. Here we compare results obtained using two transport codes, TRANSIESTA-C and HÜCKEL-IV, to show that upon Au-S bond lengthening, the calculated low bias conductance initially increases by up to a factor of 30. This increase in highest occupied molecular orbital (HOMO) mediated conductance is attributed to charging of the terminal sulfur atom and a corresponding decrease in the energy gap between the Fermi level and the HOMO. Addition of a single Au atom to each terminal of the extended BDT molecule is shown to add four molecular states near the Fermi energy, which may explain the varying results reported in the literature.

  11. Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

    OpenAIRE

    K. Senthilkumar; Grozema, F.C.; Bickelhaupt, F.M.; Siebbeles, L.D.A.

    2003-01-01

    Values of charge transfer integrals, spatial overlap integrals and site energies involved in transport of positive charges along columnar stacked triphenylene derivatives are provided. These parameters were calculated directly as the matrix elements of the Kohn–Sham Hamiltonian, defined in terms of the molecular orbitals on individual triphenylene molecules. This was realized by exploiting the unique feature of the Amsterdam density functional theory program that allows one to use molecular o...

  12. Mechanisms of transport in radiative improved mode

    International Nuclear Information System (INIS)

    Improvement of confinement by a deliberate seeding of impurities line neon and argon has been found in many devices. Most intensively this phenomenon was studied in the limiter tokamak TEXTOR, where it was called radiative improved (RI) mode, and in the divertor machine DII-D. Recent experiments on TFTR, JT-60 and JET have demonstrated that by an optimization of seeding procedure a positive effect of impurities can be achieved in reactor scale devices. Extensive theoretical and modelling activities were performed during past years in order to understand the mechanisms of confinement improvement in RI-mode. Characteristics of drift instabilities namely the ion temperature gradient (ITG) and dissipate trapped electron (DTE) modes, which provide the main contribution to the anomalous transport in tokamaks, have been analyzed by the code for Gyro-Kinetic Stability. The behavior of non-linear turbulent eddies and vortices was studied in 'particle in cell' simulations. Fluid approximation has been applied to asses the effect of impurities on anomalous transport. All these studies predict a reduction of turbulence originated from the most dangerous ITG modes. Computations by a transport code with models for anomalous transport coefficients due to drift micro-instabilities reproduce many peculiarities of RI-plasmas. (author)

  13. The Development of Conductive Nanoporous Chitosan Polymer Membrane for Selective Transport of Charged Molecules

    OpenAIRE

    Pei-Ru Chen; Yun-Ju Chuang

    2013-01-01

    We present the development of conductive nanoporous CNT/chitosan membrane for charge-selective transport of charged molecules, carboxylfluorescein (CF), substance P, and tumor necrosis factor-alpha (TNF-α). The membrane was made porous and conductive via gelatin nanoparticle leaching technique and addition of carbon nanotubes, respectively. These nanoporous membranes discriminate the diffusion of positive-charged molecules while inhibiting the passage of negative-charged molecules as positive...

  14. Charged Particle Energization and Transport in the Magnetotail during Substorms

    Science.gov (United States)

    Pan, Qingjiang

    field region close to the reconnection site, and then adiabatically accelerated in the high-speed flow channels as they catch up with and ride on the earthward propagating dipolarization structures. The nonlocal adiabatic acceleration mechanism for ions is very similar to that for electrons. However, the motion of energetic electrons is adiabatic except in very limited regions near the reconnection site while the motion of energetic ions is marginally adiabatic in the dipolarization regions. The simulations also show that the earthward transport of both species is controlled by the high-speed flows via the dominant ExB drift in the magnetotail. To understand how the power law electrons are initially produced in the magnetotail, we use an implicit particle-in-cell (PIC) code to model the processes in the near-Earth reconnection region. We find that the power law electrons are produced not in the reconnection diffusion region, but in the immediate downstream of the reconnection outflow in the course of dipolarization formation and intensification. Our study illustrates that during substorms, particles are accelerated via a multi-step process, including local acceleration in the reconnection region and nonlocal acceleration during the earthward transport, and the multi-step acceleration occurs on multiple spatial scales ranging from a few kilometers (the scale of electron diffusion region) to more than ten Earth radii (the transport scale).

  15. Charge transport optimization in CZT ring-drift detectors

    Science.gov (United States)

    Boothman, V.; Alruhaili, A.; Perumal, V.; Sellin, P.; Lohstroh, A.; Sawhney, K.; Kachanov, S.

    2015-12-01

    Ring-drift design has been applied to large (7.5~\\text{mm}× 7.5~\\text{mm}× 2.3 mm) cadmium zinc telluride (CZT) devices. This low-noise, single-carrier-sensing configuration is the gold standard for spectroscopic silicon x-ray detectors. By combining the advantages of ring-drift with the high quantum efficiency and room-temperature operating capabilities of CZT, a simple and compact device for high-resolution spectroscopy of x-rays in the range 50-500 keV can be created. Quality of CZT crystals has improved greatly in recent years and electron-only sensing overcomes the problem of inherently poor hole transport in II-VI semiconductors. The spatial response of our 3-ring CZT device was studied by microbeam scanning while the voltages applied to all electrodes were systematically varied. Maximum active radius extended to 2.3 mm, beyond the second ring. Resolution was limited by electronic noise. Our results show that the lateral field and its ratio to the bulk field exert a crucial influence on active area, peak position and sensitivity. CZT and the device geometry were modelled in 3D with Sentaurus TCAD. Line scans were simulated and trends in performance with bias conditions matched experimental data, validating the model. We aimed to optimize the resolution, sensitivity and active radius of the device. Fields and charge drift were visualized and the active volume was mapped in 3D to improve understanding of the factors governing performance including number of rings, their widths, positions and bias.

  16. Background charges and quantum effects in quantum dots transport spectroscopy

    OpenAIRE

    Pierre M.; Hofheinz M.; Jehl X.; Sanquer M.; Molas G.; Vinet M.; Deleonibus S.

    2009-01-01

    We extend a simple model of a charge trap coupled to a single-electron box to energy ranges and parameters such that it gives new insights and predictions readily observable in many experimental systems. We show that a single background charge is enough to give lines of differential conductance in the stability diagram of the quantum dot, even within undistorted Coulomb diamonds. It also suppresses the current near degeneracy of the impurity charge, and yields negative differential lines far ...

  17. Beamline for low-energy transport of highly charged ions at HITRAP

    International Nuclear Information System (INIS)

    A beamline for transport of highly charged ions with energies as low as a few keV/charge has been constructed and commissioned at GSI. Complementary to the existing infrastructure of the HITRAP facility for deceleration of highly charged ions from the GSI accelerator, the new beamline connects the HITRAP ion decelerator and an EBIT with the associated experimental setups. Therefore, the facility can now transport the decelerated heavy highly charged ions to the experiments or supply them offline with medium-heavy highly charged ions from the EBIT, both at energies as low as a few keV/charge. Here we present the design of the 20 m long beamline with the corresponding beam instrumentation, as well as its performance in terms of energy and transport efficiency

  18. Beamline for low-energy transport of highly charged ions at HITRAP

    Energy Technology Data Exchange (ETDEWEB)

    Andelkovic, Z., E-mail: z.andelkovic@gsi.de [GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt (Germany); Herfurth, F.; Kotovskiy, N. [GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt (Germany); König, K.; Maaß, B.; Murböck, T. [Technische Universität Darmstadt (Germany); Neidherr, D. [GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt (Germany); Schmidt, S. [Technische Universität Darmstadt (Germany); Johannes Gutenberg-Universität Mainz (Germany); Steinmann, J. [GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt (Germany); Hochschule Darmstadt (Germany); Vogel, M.; Vorobjev, G. [GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt (Germany)

    2015-09-21

    A beamline for transport of highly charged ions with energies as low as a few keV/charge has been constructed and commissioned at GSI. Complementary to the existing infrastructure of the HITRAP facility for deceleration of highly charged ions from the GSI accelerator, the new beamline connects the HITRAP ion decelerator and an EBIT with the associated experimental setups. Therefore, the facility can now transport the decelerated heavy highly charged ions to the experiments or supply them offline with medium-heavy highly charged ions from the EBIT, both at energies as low as a few keV/charge. Here we present the design of the 20 m long beamline with the corresponding beam instrumentation, as well as its performance in terms of energy and transport efficiency.

  19. Impact of metal electrode on charge transport behavior of metal-Gd2O3 systems

    International Nuclear Information System (INIS)

    In this paper, we have grown an 80 nm thick Gd2O3 thin film by electron beam evaporation on glass substrate and fabricated different metal (Al, Cu, Cr and Au) electrodes on grown sample under same condition. To investigate the charge transport mechanism in these metal-semiconductor systems, the electrical conductivities and current–voltage (I–V) measurements have been measured over temperature range of 250–400 K. We have found that Mott variable range hopping (VRH) is responsible for conduction behavior in all systems for entire temperature range. A strong correlation between transport properties and metal work function has been observed. A space charge model successfully explained the decreasing trend of conductivity with increasing the metal work function. The conductivity decreased from 2.9 × 10−5 to 1.8 × 10−11 S/cm as the metal work function increased from 4 to 5.1 eV for Al to Au metals respectively. The ideality factor also increased from 1.67 to 2.2 with metal work function from Al to Au metal. The observed result can be explained as; high work function metal forms higher depletion layer as compared to metal having low work function, which compensate the empty sites available for hopping and consequently decreased the hopping conductivity. - Graphical abstract: Different metal electrodes (Al, Cu, Cr and Au) were fabricated on 80 nm Gd2O3 thin film by electron beam evaporation and found that Mott VRH is responsible for conduction behavior in all systems for entire temperature range. We also observed a strong correlation between transport properties and metal work function has been observed. - Highlights: • Charge transport mechanism in metal-Gd2O3-metal systems in the temperature range 290–380 K. • Al, Cu, Cr and Au metal electrodes were fabricated on 80 nm Gd2O3 thin film by E.B evaporation. • Mott VRH is responsible for conduction behavior in all systems for entire temperature range. • A strong correlation between transport properties

  20. Structural Insights into the Transport Mechanism of the Human Sodium-dependent Lysophosphatidylcholine Transporter MFSD2A.

    Science.gov (United States)

    Quek, Debra Q Y; Nguyen, Long N; Fan, Hao; Silver, David L

    2016-04-29

    Major facilitator superfamily domain containing 2A (MFSD2A) was recently characterized as a sodium-dependent lysophosphatidylcholine transporter expressed at the blood-brain barrier endothelium. It is the primary route for importation of docosohexaenoic acid and other long-chain fatty acids into fetal and adult brain and is essential for mouse and human brain growth and function. Remarkably, MFSD2A is the first identified major facilitator superfamily member that uniquely transports lipids, implying that MFSD2A harbors unique structural features and transport mechanism. Here, we present three three-dimensional structural models of human MFSD2A derived by homology modeling using MelB- and LacY-based crystal structures and refined by biochemical analysis. All models revealed 12 transmembrane helices and connecting loops and represented the partially outward-open, outward-partially occluded, and inward-open states of the transport cycle. In addition to a conserved sodium-binding site, three unique structural features were identified as follows: a phosphate headgroup binding site, a hydrophobic cleft to accommodate a hydrophobic hydrocarbon tail, and three sets of ionic locks that stabilize the outward-open conformation. Ligand docking studies and biochemical assays identified Lys-436 as a key residue for transport. It is seen forming a salt bridge with the negative charge on the phosphate headgroup. Importantly, MFSD2A transported structurally related acylcarnitines but not a lysolipid without a negative charge, demonstrating the necessity of a negatively charged headgroup interaction with Lys-436 for transport. These findings support a novel transport mechanism by which lysophosphatidylcholines are "flipped" within the transporter cavity by pivoting about Lys-436 leading to net transport from the outer to the inner leaflet of the plasma membrane. PMID:26945070

  1. Charge transport in molecular junctions: From tunneling to hopping with the probe technique

    International Nuclear Information System (INIS)

    We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This “Landauer-Büttiker’s probe technique” can properly replicate different transport mechanisms, phase coherent nonresonant tunneling, ballistic behavior, and hopping conduction. Specifically, our simulations with the probe method recover the following central characteristics of charge transfer in molecular wires: (i) the electrical conductance of short wires falls off exponentially with molecular length, a manifestation of the tunneling (superexchange) mechanism. Hopping dynamics overtakes superexchange in long wires demonstrating an ohmic-like behavior. (ii) In off-resonance situations, weak dephasing effects facilitate charge transfer, but under large dephasing, the electrical conductance is suppressed. (iii) At high enough temperatures, kBT/ϵB > 1/25, with ϵB as the molecular-barrier height, the current is enhanced by a thermal activation (Arrhenius) factor. However, this enhancement takes place for both coherent and incoherent electrons and it does not readily indicate on the underlying mechanism. (iv) At finite-bias, dephasing effects may impede conduction in resonant situations. We further show that memory (non-Markovian) effects can be implemented within the Landauer-Büttiker’s probe technique to model the interaction of electrons with a structured environment. Finally, we examine experimental results of electron transfer in conjugated molecular wires and show that our computational approach can reasonably reproduce reported values to provide mechanistic information

  2. Charge transport in molecular junctions: From tunneling to hopping with the probe technique

    Energy Technology Data Exchange (ETDEWEB)

    Kilgour, Michael; Segal, Dvira, E-mail: dsegal@chem.utoronto.ca [Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5S 3H6 (Canada)

    2015-07-14

    We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This “Landauer-Büttiker’s probe technique” can properly replicate different transport mechanisms, phase coherent nonresonant tunneling, ballistic behavior, and hopping conduction. Specifically, our simulations with the probe method recover the following central characteristics of charge transfer in molecular wires: (i) the electrical conductance of short wires falls off exponentially with molecular length, a manifestation of the tunneling (superexchange) mechanism. Hopping dynamics overtakes superexchange in long wires demonstrating an ohmic-like behavior. (ii) In off-resonance situations, weak dephasing effects facilitate charge transfer, but under large dephasing, the electrical conductance is suppressed. (iii) At high enough temperatures, k{sub B}T/ϵ{sub B} > 1/25, with ϵ{sub B} as the molecular-barrier height, the current is enhanced by a thermal activation (Arrhenius) factor. However, this enhancement takes place for both coherent and incoherent electrons and it does not readily indicate on the underlying mechanism. (iv) At finite-bias, dephasing effects may impede conduction in resonant situations. We further show that memory (non-Markovian) effects can be implemented within the Landauer-Büttiker’s probe technique to model the interaction of electrons with a structured environment. Finally, we examine experimental results of electron transfer in conjugated molecular wires and show that our computational approach can reasonably reproduce reported values to provide mechanistic information.

  3. Charge transport in molecular junctions: From tunneling to hopping with the probe technique

    Science.gov (United States)

    Kilgour, Michael; Segal, Dvira

    2015-07-01

    We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-Büttiker's probe technique" can properly replicate different transport mechanisms, phase coherent nonresonant tunneling, ballistic behavior, and hopping conduction. Specifically, our simulations with the probe method recover the following central characteristics of charge transfer in molecular wires: (i) the electrical conductance of short wires falls off exponentially with molecular length, a manifestation of the tunneling (superexchange) mechanism. Hopping dynamics overtakes superexchange in long wires demonstrating an ohmic-like behavior. (ii) In off-resonance situations, weak dephasing effects facilitate charge transfer, but under large dephasing, the electrical conductance is suppressed. (iii) At high enough temperatures, kBT/ɛB > 1/25, with ɛB as the molecular-barrier height, the current is enhanced by a thermal activation (Arrhenius) factor. However, this enhancement takes place for both coherent and incoherent electrons and it does not readily indicate on the underlying mechanism. (iv) At finite-bias, dephasing effects may impede conduction in resonant situations. We further show that memory (non-Markovian) effects can be implemented within the Landauer-Büttiker's probe technique to model the interaction of electrons with a structured environment. Finally, we examine experimental results of electron transfer in conjugated molecular wires and show that our computational approach can reasonably reproduce reported values to provide mechanistic information.

  4. Charge Injection and Transport in Metal/Polymer Chains/Metal Sandwich Structure

    Institute of Scientific and Technical Information of China (English)

    LI Hai-Hong; LI Dong-Mei; LI Yuan; GAO Kun; LIU De-Sheng; XIE Shi-Jie

    2008-01-01

    @@ Using the tight-binding Su-Schrieffer-Heeger model and a nonadiabatic dynamic evolution method, we study the dynamic processes of the charge injection and transport in a metal/two coupled conjugated polymer chains/metal structure. It is found that the charge interchain transport is determined by the strength of the electric field and the magnitude of the voltage bias applied on the metal electrode. The stronger electric field and the larger voltage bias are both in favour of the charge interchain transport.

  5. The single-sink fixed-charge transportation problem: Applications and solution methods

    DEFF Research Database (Denmark)

    Goertz, Simon; Klose, Andreas

    The single-sink fixed-charge transportation problem (SSFCTP) consists in finding a minimum cost flow from a number of supplier nodes to a single demand node. Shipping costs comprise costs proportional to the amount shipped as well as a fixed-charge. Although the SSFCTP is an important special case...... of the well-known fixed-charge transportation problem, just a few methods for solving this problem have been proposed in the literature. After summarising some applications of this problem arising in manufacturing and transportation, we give an overview on approximation algorithms and worst......-case results. Finally, we briefly compare some exact solution algorithms for this problem....

  6. Facilitated transport of charged colloids in geologic media

    International Nuclear Information System (INIS)

    Diffusion of a charged colloidal particle in a two-dimensional simple shear flow was studied by means of Monte Carlo calculations and the effects of a bounding wall and charge of a particle on convective diffusion were elucidated. Taking charge effects into account has a marked effect on the diffusion behavior of the particle, increasing the migration distance. Diffusion of latex colloidal particles in a quartz-powder packed cell was also studied by through-diffusion methods. For the large latex colloidal particles, the effective diffusion coefficients measured are larger than those estimated by Stokes-Einstein equation

  7. Charge transport through exciton shelves in cadmium chalcogenide quantum dot-DNA nano-bioelectronic thin films

    International Nuclear Information System (INIS)

    Quantum dot (QD), or semiconductor nanocrystal, thin films are being explored for making solution-processable devices due to their size- and shape-tunable bandgap and discrete higher energy electronic states. While DNA has been extensively used for the self-assembly of nanocrystals, it has not been investigated for the simultaneous conduction of multiple energy charges or excitons via exciton shelves (ES) formed in QD-DNA nano-bioelectronic thin films. Here, we present studies on charge conduction through exciton shelves, which are formed via chemically coupled QDs and DNA, between electronic states of the QDs and the HOMO-LUMO levels in the complementary DNA nucleobases. While several challenges need to be addressed in optimizing the formation of devices using QD-DNA thin films, a higher charge collection efficiency for hot-carriers and our detailed investigations of charge transport mechanism in these thin films highlight their potential for applications in nano-bioelectronic devices and biological transducers

  8. Charge transport through exciton shelves in cadmium chalcogenide quantum dot-DNA nano-bioelectronic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Goodman, Samuel M.; Singh, Vivek [Department of Chemical and Biological Engineering, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); Noh, Hyunwoo [Department of Chemical and Biological Engineering, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); Materials Science and Engineering Program and Department of Nanoengineering, University of California, 9500 Gilman Drive, La Jolla, San Diego, California 92093 (United States); Cha, Jennifer N. [Department of Chemical and Biological Engineering, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); Materials Science and Engineering Program and Department of Nanoengineering, University of California, 9500 Gilman Drive, La Jolla, San Diego, California 92093 (United States); Materials Science and Engineering, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); Nagpal, Prashant, E-mail: pnagpal@colorado.edu [Department of Chemical and Biological Engineering, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); Materials Science and Engineering, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); BioFrontiers Institute, University of Colorado Boulder, 3415 Colorado Avenue, Boulder, Colorado 80303 (United States); Renewable and Sustainable Energy Institute, University of Colorado Boulder, 2445 Kittredge Loop, Boulder, Colorado 80309 (United States)

    2015-02-23

    Quantum dot (QD), or semiconductor nanocrystal, thin films are being explored for making solution-processable devices due to their size- and shape-tunable bandgap and discrete higher energy electronic states. While DNA has been extensively used for the self-assembly of nanocrystals, it has not been investigated for the simultaneous conduction of multiple energy charges or excitons via exciton shelves (ES) formed in QD-DNA nano-bioelectronic thin films. Here, we present studies on charge conduction through exciton shelves, which are formed via chemically coupled QDs and DNA, between electronic states of the QDs and the HOMO-LUMO levels in the complementary DNA nucleobases. While several challenges need to be addressed in optimizing the formation of devices using QD-DNA thin films, a higher charge collection efficiency for hot-carriers and our detailed investigations of charge transport mechanism in these thin films highlight their potential for applications in nano-bioelectronic devices and biological transducers.

  9. Charge transport through exciton shelves in cadmium chalcogenide quantum dot-DNA nano-bioelectronic thin films

    Science.gov (United States)

    Goodman, Samuel M.; Noh, Hyunwoo; Singh, Vivek; Cha, Jennifer N.; Nagpal, Prashant

    2015-02-01

    Quantum dot (QD), or semiconductor nanocrystal, thin films are being explored for making solution-processable devices due to their size- and shape-tunable bandgap and discrete higher energy electronic states. While DNA has been extensively used for the self-assembly of nanocrystals, it has not been investigated for the simultaneous conduction of multiple energy charges or excitons via exciton shelves (ES) formed in QD-DNA nano-bioelectronic thin films. Here, we present studies on charge conduction through exciton shelves, which are formed via chemically coupled QDs and DNA, between electronic states of the QDs and the HOMO-LUMO levels in the complementary DNA nucleobases. While several challenges need to be addressed in optimizing the formation of devices using QD-DNA thin films, a higher charge collection efficiency for hot-carriers and our detailed investigations of charge transport mechanism in these thin films highlight their potential for applications in nano-bioelectronic devices and biological transducers.

  10. Signatures of dynamics in charge transport through organic molecules; Dynamisches Verhalten beim Ladungstransport durch organische Molekuele

    Energy Technology Data Exchange (ETDEWEB)

    Secker, Daniel

    2008-06-03

    The aim of the thesis at hand was to investigate dynamical behaviour in charge transport through organic molecules experimentally with the help of the mechanically controlled break junction (MCBJ) technique. the thesis concentrates on the complex interaction between the molecular contact configuration and the electronic structure. it is shown that by variation of the electrode distance and so by a manipulation of the molecule and contact configuration the electronic structure as well as the coupling between the molecule and the electrodes is affected. The latter statement is an additional hint how closely I-V-characteristics depend on the molecular contact configuration. Depending on the applied voltage and so the electric field there are two different configurations preferred by the molecular contact. A potential barrier between these two states is the origin of the hysteresis. A central part of the thesis is dealing with measurements of the current noise. Finally it can be concluded that the detailed discussion reveals the strong effect of dynamical interactions between the atomic configuration of the molecular contact and the electronic structure on the charge transport in single molecule junctions. (orig.)

  11. Wettability Modulated Charge Inversion and Ionic Transport in Nanofuidic Channels

    CERN Document Server

    Shaik, Vaseem Akram; Hossain, Syed Sahil; Chakraborty, Suman

    2015-01-01

    We unveil the role of substrate wettability on the reversal in the sign of the interfacial charge distribution in a nanochannel in presence of multivalent ions. In sharp contrast to the prevailing notion that hydrophobic interactions may trivially augment the effective surface charge, we demonstrate that the interplay between surface hydrophobicity and interfacial electrostatics may result in a decrease in the effective interfacial potential, and a consequent charge inversion over regimes of low surface charges. We also show that this phenomenon, in tandem with the interfacial hydrodynamics may non-trivially lead to either augmentation or attenuation or even reversal of the net streaming current, depending on the relevant physical scales involved. These results, supported by Molecular Dynamics simulations and experimental data, may bear far ranging consequences in understanding complex biophysical processes and designing nanofluidic devices and systems involving multivalent counterions.

  12. Conditions for charge transport without recombination in low mobility organic solar cells and photodiodes (Presentation Recording)

    Science.gov (United States)

    Stolterfoht, Martin; Armin, Ardalan; Philippa, Bronson; White, Ronald D.; Burn, Paul L.; Meredith, Paul; Juška, Gytis; Pivrikas, Almantas

    2015-10-01

    Organic semiconductors typically possess low charge carrier mobilities and Langevin-type recombination dynamics, which both negatively impact the performance of organic solar cells and photodetectors. Charge transport in organic solar cells is usually characterized by the mobility-lifetime product. Using newly developed transient and steady state photocurrent measurement techniques we show that the onset of efficiency limiting photocarrier recombination is determined by the charge that can be stored on the electrodes of the device. It is shown that significant photocarrier recombination can be avoided when the total charge inside the device, defined by the trapped, doping-induced and mobile charge carriers, is less than the electrode charge. Based upon this physics we propose the mobility-recombination coefficient product as an alternative and more convenient figure of merit to minimize the recombination losses. We validate the results in 3 different organic semiconductor-based light harvesting systems with very different charge transport properties. The findings allow the determination of the charge collection efficiency in fully operational devices. In turn, knowing the conditions under which non-geminate recombination is eliminated enables one to quantify the generation efficiency of free charge carriers. The results are relevant to a wide range of light harvesting systems, particularly those based upon disordered semiconductors, and require a rethink of the critical parameters for charge transport.

  13. Poly(silylene)s: Charge carrier photogeneration and transport

    Czech Academy of Sciences Publication Activity Database

    Nešpůrek, Stanislav; Eckhardt, A.

    2001-01-01

    Roč. 12, č. 7 (2001), s. 427-440. ISSN 1042-7147 R&D Projects: GA AV ČR IAA4050603; GA AV ČR IAA1050901; GA AV ČR KSK4050111 Institutional research plan: CEZ:AV0Z4050913 Keywords : charge photogeneration * charge-transfer * ion-pair Subject RIV: CC - Organic Chemistry Impact factor: 0.701, year: 2001

  14. Charge transport in a single superconducting tin nanowire encapsulated in a multiwalled carbon nanotube

    NARCIS (Netherlands)

    Tombros, Nikolaos; Buit, Luuk; Arfaoui, Imad; Tsoufis, Theodoros; Gournis, Dimitrios; Trikalitis, Pantelis N.; van der Molen, Sense Jan; Rudolf, Petra; van Wees, Bart J.

    2008-01-01

    The charge transport properties of single superconducting tin nanowires encapsulated by multiwalled carbon nanotubes have been investigated by multiprobe measurements. The multiwalled carbon nanotube protects the tin nanowire from oxidation and shape fragmentation and therefore allows us to investig

  15. Numerical design of electron guns and space charge limited transport systems

    International Nuclear Information System (INIS)

    This paper describes the capabilities and limitations of computer programs used to design electron guns and similarly space-charge limited transport systems. Examples of computer generated plots from several different types of gun problems are included

  16. Administrative mechanics of research fuel transportation

    International Nuclear Information System (INIS)

    This presentation contains the discussion on the multitude of administrative mechanics that have to be meshed for the successful completion of a shipment of spent fuel, HEU or LEU in the research reactors fuel cycle. The costs associated with transportation may be the equivalent of 'a black hole', so an overview of cost factors is given. At the end one could find that this black hole factor in the budget is actually a bargain. The first step is the quotation phase. The cost variables in the quotation contain the cost of packaging i.e. containers; the complete routing of the packages and the materials. Factors that are of outmost importance are the routing restrictions and regulations, physical security regulations. All of this effort is just to provide a valid quotation not to accomplish the goal of completing a shipment. Public relations cannot be omitted either

  17. Charge Transport in Voltage-Biased Superconducting Single-Electron Transistors

    OpenAIRE

    Siewert, Jens; Schön, Gerd

    1996-01-01

    Charge is transported through superconducting SSS single-electron transistors at finite bias voltages by a combination of coherent Cooper-pair tunneling and quasiparticle tunneling. At low transport voltages the effect of an ``odd'' quasiparticle in the island leads to a $2e$-periodic dependence of the current on the gate charge. We evaluate the $I-V$ characteristic in the framework of a model which accounts for these effects as well as for the influence of the electromagnetic environment. Th...

  18. Battery-powered transport systems. Possible methods of automatically charging drive batteries

    Energy Technology Data Exchange (ETDEWEB)

    1981-03-01

    In modern driverless transport systems, not only easy maintenance of the drive battery is important but also automatic charging during times of standstill. Some systems are presented; one system is pointed out in particular in which 100 batteries can be charged at the same time.

  19. Transport of charged Aerosol OT inverse micelles in nonpolar liquids.

    Science.gov (United States)

    Karvar, Masoumeh; Strubbe, Filip; Beunis, Filip; Kemp, Roger; Smith, Ashley; Goulding, Mark; Neyts, Kristiaan

    2011-09-01

    Surfactants such as Aerosol OT (AOT) are commonly used to stabilize and electrically charge nonpolar colloids in devices such as electronic ink displays. The electrical behavior of such devices is strongly influenced by the presence of charged inverse micelles, formed by excess surfactant that does not cover the particles. The presence of charged inverse micelles results in increased conductivity of the solution, affecting both the energy consumption of the device and its switching characteristics. In this work, we use transient current measurements to investigate the electrical properties of suspensions of the surfactant Aerosol OT in dodecane. No particles are added, to isolate the effect of excess surfactant. The measured currents upon application of a voltage step are found to be exponentially decaying, and can be described by an analytical model based on an equivalent electric circuit. This behavior is physically interpreted, first by the high generation rate of charged inverse micelles giving the suspension resistor like properties, and second by the buildup of layers of charged inverse micelles at both electrodes, acting as capacitors. The model explains the measurements over a large range of surfactant concentrations, applied voltages, and device thicknesses. PMID:21728309

  20. Simulation of charge transport in pixelated CdTe

    International Nuclear Information System (INIS)

    The Voxel Imaging PET (VIP) Pathfinder project intends to show the advantages of using pixelated semiconductor technology for nuclear medicine applications to achieve an improved image reconstruction without efficiency loss. It proposes designs for Positron Emission Tomography (PET), Positron Emission Mammography (PEM) and Compton gamma camera detectors with a large number of signal channels (of the order of 106). The design is based on the use of a pixelated CdTe Schottky detector to have optimal energy and spatial resolution. An individual read-out channel is dedicated for each detector voxel of size 1 × 1 × 2 mm3 using an application-specific integrated circuit (ASIC) which the VIP project has designed, developed and is currently evaluating experimentally. The behaviour of the signal charge carriers in CdTe should be well understood because it has an impact on the performance of the readout channels. For this purpose the Finite Element Method (FEM) Multiphysics COMSOL software package has been used to simulate the behaviour of signal charge carriers in CdTe and extract values for the expected charge sharing depending on the impact point and bias voltage. The results on charge sharing obtained with COMSOL are combined with GAMOS, a Geant based particle tracking Monte Carlo software package, to get a full evaluation of the amount of charge sharing in pixelated CdTe for different gamma impact points

  1. Charge carrier transport at the nanoscale: Electron and hole transport in self-assembled discotic liquid crystals: Mobile ionic charges in nanocomposite solid electrolytes

    NARCIS (Netherlands)

    Haverkate, L.A.

    2013-01-01

    This thesis explores some fundamental aspects of charge carrier transport at the nanoscale. The study is divided in two parts. In the first part, the structural, dynamical and vibrational properties of discotic liquid crystals are studied in relation to the potential of these self-assembled ‘mesopha

  2. Cis- and trans-isomerization-induced transition of charge transport property in PPV oligomers

    International Nuclear Information System (INIS)

    Graphical abstract: Cis→trans isomerization of 2,5-diphenyl-1,4-distyrylbenzene (DPDSB, model compound of PPV) induces significant changes in charge transport properties. Cis-DPDSB demonstrates hole-majority transport while trans-DPDSB exhibits balanced transport. Highlights: → 2,5-diphenyl-1,4-distyrylbenzene (DPDSB) is a model compound of PPV derivatives. → Cis→trans isomerization induces significant changes in charge transport property. → Cis-DPDSB displays hole-majority transport while trans-DPDSB shows balanced one. → This finding helps to understand structure/property relationship in PPV derivatives. - Abstract: Photoisomerization of vinylenes is well known to cause remarkable changes in the photophysical properties of poly (p-phenylene vinylene) (PPV) derivatives. Cis-/trans- isomerization is also expected to induce significant changes in their charge transport properties. In this study, the charge transport properties of cis- and trans-isomers of 2,5-diphenyl-1,4-distyrylbenzene (DPDSB, model compound of PPV) were investigated using a Marcus hopping model. As expected, this conformational transition from cis- to trans-isomer gives rise to a significant difference between hole and electron transport properties. Cis-DPDSB demonstrates an overwhelmingly superior hole transport (μh/μe = 51), which is even higher than that of trans-DPDSB. By contrast, trans-DPDSB exhibits approximately balanced carrier transport property (μh/μe = 1.79). These results are understood on a molecular level by considering the structure-transport relationship through two key parameters: transfer integral and reorganization energy. This finding may be helpful in understanding and extrapolating the structure-property relationship and charge transport property of the corresponding PPV polymers derivatives.

  3. Methods for studying plasma charge transport across a magnetic field

    International Nuclear Information System (INIS)

    A comparative analysis of experimental methods for the diffusion transfer of plasma charged particles accross the magnetic field at the study of its confinement effectiveness, instability effect is carried out. Considered are the methods based on the analysis of particle balance in the charge and possibilities of diffusion coefficient determination according to measuring parameters of density gradient and particle flow on the wall, rate of plasma decay after switching off ionization source radial profile of plasma density outside the active region of stationary charge. Much attension is payed to the research methods of diffusion transfer, connected with the study of propagation of periodic and aperiodic density perturbation in a plasma. Analysed is the Golubev and Granovsky method of diffusion waves and its different modifications, phase analysis method of ''test charges'' movement, as well as different modifications of correlation methods. Considered are physical preconditions of the latter and criticized is unilateral interpretation of correlation measurings, carried out in a number of works. The analysis of study possibilities of independent (non-ambipolar) diffusion of electrons and ions in a plasma in the magnetic field is executed

  4. Role of Molecular Weight Distribution on Charge Transport in Semiconducting Polymers

    KAUST Repository

    Himmelberger, Scott

    2014-10-28

    © 2014 American Chemical Society. Model semiconducting polymer blends of well-controlled molecular weight distributions are fabricated and demonstrated to be a simple method to control intermolecular disorder without affecting intramolecular order or degree of aggregation. Mobility measurements exhibit that even small amounts of low molecular weight material are detrimental to charge transport. Trends in charge carrier mobility can be reproduced by a simple analytical model which indicates that carriers have no preference for high or low molecular weight chains and that charge transport is limited by interchain hopping. These results quantify the role of long polymer tie-chains and demonstrate the need for controlled polydispersity for achieving high carrier mobilities.

  5. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Rauff Lind Christensen, Tue; Klose, Andreas; Andersen, Kim Allan

    are neglected in the SSFCTP. The SSFCMCTP overcome this problem by incorporating a staircase cost structure in the cost function instead of the usual one used in SSFCTP. We present a dynamic programming algorithm for the resulting problem. To enhance the performance of the generic algorithm a number......The Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem (SSFCMCTP) is a problem with versatile applications. This problem is a generalization of the Single-Sink, Fixed-Charge Transportation Problem (SSFCTP), which has a fixed-charge, linear cost structure. However, in at least two...

  6. Enhanced charge transport in highly conducting PEDOT-PSS films after acid treatment

    Science.gov (United States)

    Shiva, V. Akshaya; Bhatia, Ravi; Menon, Reghu

    The high electrical conductivity, good stability, high strength, flexibility and good transparency of poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS), make it useful for many applications including polymeric anodes for organic photovoltaics, light-emitting diodes, flexible electrodes, supercapacitors, electrochromic devices, field-effect transistors and antistatic-coatings. However, the electrical conductivity of PEDOT-PSS has to be increased significantly for replacement of indium tin oxide (ITO) as the transparent electrode in optoelectronic devices. The as prepared (pristine) PEDOT-PSS film prepared from the PEDOT-PSS aqueous solution usually has conductivity below 1Scm-1, remarkably lower than ITO. Significant conductivity enhancement has been observed on transparent and conductive PEDOT-PSS films after a treatment with inorganic acids. Our study investigates the charge transport in pristine and H2SO4, HNO3, HCl treated PEDOT-PSS films. We have treated the films with various concentrations of acids to probe the effect of the acid treatment on the conduction mechanism. The study includes the measurement of dc and electric field dependent conductivity of films in the temperature range of 4.2K-300K. We have also performed magneto-resistance measurements in the range of 0-5T. An enhancement by a factor of~103 has been observed in the room temperature conductivity. The detailed magneto-transport studies explain the various mechanisms for the conductivity enhancement observed.

  7. Charge transport and shot noise in ballistic graphene sheet

    OpenAIRE

    Sonin, E. B.

    2008-01-01

    The current and the shot noise in a graphene sheet were analyzed in the ballistic regime for arbitrary voltage drops between leads and the sheet in the limit of infinite aspect ratio of the sheet width to its length, when quantization of transversal wave vectors is not essential. The cases of coherent and incoherent ballistic transport were compared. At high voltages the difference with coherent transport is not essential. But at low voltages conductance and Fano-factor dependences for incohe...

  8. A general relationship between disorder, aggregation and charge transport in conjugated polymers

    KAUST Repository

    Noriega, Rodrigo

    2013-08-04

    Conjugated polymer chains have many degrees of conformational freedom and interact weakly with each other, resulting in complex microstructures in the solid state. Understanding charge transport in such systems, which have amorphous and ordered phases exhibiting varying degrees of order, has proved difficult owing to the contribution of electronic processes at various length scales. The growing technological appeal of these semiconductors makes such fundamental knowledge extremely important for materials and process design. We propose a unified model of how charge carriers travel in conjugated polymer films. We show that in high-molecular-weight semiconducting polymers the limiting charge transport step is trapping caused by lattice disorder, and that short-range intermolecular aggregation is sufficient for efficient long-range charge transport. This generalization explains the seemingly contradicting high performance of recently reported, poorly ordered polymers and suggests molecular design strategies to further improve the performance of future generations of organic electronic materials. © 2013 Macmillan Publishers Limited. All rights reserved.

  9. Implementation of the reduced charge state method of calculating impurity transport

    International Nuclear Information System (INIS)

    A recent review article by Hirshman and Sigmar includes expressions needed to calculate the parallel friction coefficients, the essential ingredients of the plateau-Pfirsch-Schluter transport coefficients, using the method of reduced charge states. These expressions have been collected and an expanded notation introduced in some cases to facilitate differentiation between reduced charge state and full charge state quantities. A form of the Coulomb logarithm relevant to the method of reduced charge states is introduced. This method of calculating the f/sub ij//sup ab/ has been implemented in the impurity transport simulation code IMPTAR and has resulted in an overall reduction in computation time of approximately 25% for a typical simulation of impurity transport in the Impurity Study Experiment (ISX-B). Results obtained using this treatment are almost identical to those obtained using an earlier approximate theory of Hirshman

  10. On the Nature of High Field Charge Transport in Reinforced Silicone Dielectrics: Experiment and Simulation

    CERN Document Server

    Huang, Yanhui

    2016-01-01

    The high field charge injection and transport properties in reinforced silicone dielectrics were investigated by measuring the time-dependent space charge distribution and the current under dc conditions up to the breakdown field, and were compared with properties of other dielectric polymers. It is argued that the energy and spatial distribution of localized electronic states are crucial to determining these properties for polymer dielectrics. Tunneling to localized states likely dominates the charge injection process. A transient transport regime arises due to the relaxation of charge carriers into deep traps at the energy band tails, and is successfully verified by a Monte Carlo simulation using the multiple-hopping model. The charge carrier mobility is found to be highly heterogeneous due to non-uniform trapping. The slow moving electron packet exhibits a negative field dependent drift velocity possibly due to the spatial disorder of traps.

  11. On the nature of high field charge transport in reinforced silicone dielectrics: Experiment and simulation

    Science.gov (United States)

    Huang, Yanhui; Schadler, Linda S.

    2016-08-01

    The high field charge injection and transport properties in reinforced silicone dielectrics were investigated by measuring the time-dependent space charge distribution and the current under dc conditions up to the breakdown field and were compared with the properties of other dielectric polymers. It is argued that the energy and spatial distribution of localized electronic states are crucial in determining these properties for polymer dielectrics. Tunneling to localized states likely dominates the charge injection process. A transient transport regime arises due to the relaxation of charge carriers into deep traps at the energy band tails and is successfully verified by a Monte Carlo simulation using the multiple-hopping model. The charge carrier mobility is found to be highly heterogeneous due to the non-uniform trapping. The slow moving electron packet exhibits a negative field dependent drift velocity possibly due to the spatial disorder of traps.

  12. A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Thilo; Jäger, Christof M. [Department of Chemistry and Pharmacy, Computer-Chemistry-Center and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen (Germany); Jordan, Meredith J. T. [School of Chemistry, University of Sydney, Sydney, NSW 2006 (Australia); Clark, Timothy, E-mail: tim.clark@fau.de [Department of Chemistry and Pharmacy, Computer-Chemistry-Center and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen (Germany); Centre for Molecular Design, University of Portsmouth, Portsmouth PO1 2DY (United Kingdom)

    2015-07-28

    We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves.

  13. A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

    International Nuclear Information System (INIS)

    We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves

  14. Study of Charge Carrier Transport in GaN Sensors

    Directory of Open Access Journals (Sweden)

    Eugenijus Gaubas

    2016-04-01

    Full Text Available Capacitor and Schottky diode sensors were fabricated on GaN material grown by hydride vapor phase epitaxy and metal-organic chemical vapor deposition techniques using plasma etching and metal deposition. The operational characteristics of these devices have been investigated by profiling current transients and by comparing the experimental regimes of the perpendicular and parallel injection of excess carrier domains. Profiling of the carrier injection location allows for the separation of the bipolar and the monopolar charge drift components. Carrier mobility values attributed to the hydride vapor phase epitaxy (HVPE GaN material have been estimated as μe = 1000 ± 200 cm2/Vs for electrons, and μh = 400 ± 80 cm2/Vs for holes, respectively. Current transients under injection of the localized and bulk packets of excess carriers have been examined in order to determine the surface charge formation and polarization effects.

  15. An LP-based heuristic for the fixed charge transportation problem

    DEFF Research Database (Denmark)

    Klose, Andreas

    2007-01-01

    The fixed charge transportation problem consists in finding a minimum cost network flow from a set of suppliers to a set of customers. Beside costs proportional to quantities transported, transportation costs also include a fixed charge. The paper describes a linear programming based heuristic...... approach for computing lower and upper bounds on the minimal cost. To this end, the LP relaxation is iteratively strengthened by means of adding cuts; in each iteration the current LP solution is then used to guide a local search heuristic. In addition to standard polyhedral cuts as lifted cover...

  16. Transport of Charged Particles: Entropy Production and Maximum Dissipation Principle

    OpenAIRE

    Hsieh, Chia-Yu; Hyon, YunKyong; Lee, Hijin; Lin, Tai-Chia; Liu, Chun

    2014-01-01

    In order to describe the dynamics of crowded ions (charged particles), we use an energetic variation approach to derive a modified Poisson-Nernst-Planck (PNP) system which includes an extra dissipation due to the effective velocity differences between ion species. Such a system is more complicated than the original PNP system but with the same equilibrium states. Using Schauder's fixed-point theorem, we develop a local existence theorem of classical solutions for the modified PNP system. Diff...

  17. The influence of negative charged centers on the hole transport in a typical molecularly doped polymer

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Charged centers are introduced into a biased sample using an electron gun. • Two-layer multiple trapping model is used to describe charge carrier transport. • Model parameters are extracted from experimental data. • Current transients rise in the preflight region due to induced space charge. • Proposed model explains the observed effects semiquantitatively. - Abstract: We have studied effects of the negative charged centers on the time of flight (TOF) curves measured in a typical hole-conducting molecularly doped polymer. The main effects are the unusual TOF (surface generation) current rise in the preflight region (be it a flat plateau or a cusp) due to the accumulated space charge and the current reduction at all times because of the monomolecular recombination. TOF-2 (bulk generation) transients are less sensitive to charged centers. Analysis of these effects has proved that charged centers do not change the carrier mobility provided that the space charge field and bimolecular recombination are properly accounted for in terms of the proposed two-layer MT model. We have shown that combination of TOF, TOF-1a and TOF-2 variants of the electron-gun based technique allows one to establish definitively the character of the charge carrier transport in MDPs

  18. Charge transport through a semiconductor quantum dot-ring nanostructure

    International Nuclear Information System (INIS)

    Transport properties of a gated nanostructure depend crucially on the coupling of its states to the states of electrodes. In the case of a single quantum dot the coupling, for a given quantum state, is constant or can be slightly modified by additional gating. In this paper we consider a concentric dot–ring nanostructure (DRN) and show that its transport properties can be drastically modified due to the unique geometry. We calculate the dc current through a DRN in the Coulomb blockade regime and show that it can efficiently work as a single-electron transistor (SET) or a current rectifier. In both cases the transport characteristics strongly depend on the details of the confinement potential. The calculations are carried out for low and high bias regime, the latter being especially interesting in the context of current rectification due to fast relaxation processes. (paper)

  19. Influence of Functional Groups on Charge Transport in Molecular Junctions

    OpenAIRE

    Mowbray, Duncan; Jones, Glenn; Thygesen, Kristian Sommer

    2008-01-01

    Using density functional theory (DFT), we analyze the influence of five classes of functional groups, as exemplified by NO2, OCH3, CH3, CCl3, and I, on the transport properties of a 1,4-benzenedithiolate (BDT) and 1,4-benzenediamine (BDA) molecular junction with gold electrodes. Our analysis demonstrates how ideas from functional group chemistry may be used to engineer a molecule's transport properties, as was shown experimentally and using a semiempirical model for BDA [Nano Lett. 7, 502 (20...

  20. Plant pleiotropic drug resistance transporters:Transport mechanism, gene expression, and function

    Institute of Scientific and Technical Information of China (English)

    Mohammed Nuruzzaman; Ru Zhang; Hong-Zhe Cao; Zhi-Yong Luo

    2014-01-01

    Pleiotropic drug resistance (PDR) transporters belonging to the ABCG subfamily of ATP-binding cassette (ABC) transporters are identified only in fungi and plants. Members of this family are expressed in plants in response to various biotic and abiotic stresses and transport a diverse array of molecules across membranes. Although their detailed transport mechanism is largely unknown, they play important roles in detoxification processes, preventing water loss, transport of phytohormones, and secondary metabolites. This review provides insights into transport mechanisms of plant PDR transporters, their expression profiles, and multitude functions in plants.

  1. Assessing the potential of different charging strategies for electric vehicle fleets in closed transport systems

    International Nuclear Information System (INIS)

    A key reason for the low sales volumes of electric vehicles is their significantly higher purchasing price in comparison to conventional vehicles. However, various charging strategies can be applied to make these vehicles more profitable. In this paper, controlled charging concepts are transferred to commercial fleets operating in closed transport systems, as we found this field of application particularly well suited for the implementation of charging strategies. We analyzed data gathered in a field experiment conducted in a European port using electric vehicles in combination with a battery-swapping station to calculate the economic potentials of three charging scenarios: (1) optimizing energy procurement (2) trading load-shifting potential on control markets, and (3) a combination of the two. The findings indicate that all approaches are appropriate for reducing economic disadvantages of electric transport vehicles. Furthermore, we find that adjusting charging processes to avoid price peaks is more profitable than offering control reserve. Finally, focusing on the combination of both strategies seems to be most promising from an economic perspective. In this context, operational cost savings of more than 65% can be achieved compared to a similar dieselpowered vehicle when applying this strategy. - Highlights: • We model various charging strategies for electric transport vehicles. • The economic assessment is based on a field experiment with a port operator. • We consider the special market design of spot and ancillary service markets. • All charging strategies presented provide substantial cost-saving potentials. • Optimizing energy procurement is more profitable than offering control reserve

  2. Charge transport and localization in atomically coherent quantum dot solids

    Science.gov (United States)

    Whitham, Kevin; Yang, Jun; Savitzky, Benjamin H.; Kourkoutis, Lena F.; Wise, Frank; Hanrath, Tobias

    2016-05-01

    Epitaxial attachment of quantum dots into ordered superlattices enables the synthesis of quasi-two-dimensional materials that theoretically exhibit features such as Dirac cones and topological states, and have major potential for unprecedented optoelectronic devices. Initial studies found that disorder in these structures causes localization of electrons within a few lattice constants, and highlight the critical need for precise structural characterization and systematic assessment of the effects of disorder on transport. Here we fabricated superlattices with the quantum dots registered to within a single atomic bond length (limited by the polydispersity of the quantum dot building blocks), but missing a fraction (20%) of the epitaxial connections. Calculations of the electronic structure including the measured disorder account for the electron localization inferred from transport measurements. The calculations also show that improvement of the epitaxial connections will lead to completely delocalized electrons and may enable the observation of the remarkable properties predicted for these materials.

  3. Anomalous Doping Effects on Charge Transport in Graphene Nanoribbons

    OpenAIRE

    Biel B.; Blase X.; Triozon F.; Roche S.

    2009-01-01

    We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are strongly dependent on the symmetry and the width of the ribbon, as well as the position of the dopants. Full suppression of backscattering is obtained on the pi-pi* plateau when the impurity preserves the mirror symmetry of armchair ribbons. Further, an unus...

  4. Dopant effects on charge transport to enhance performance of phosphorescent white organic light emitting diodes

    International Nuclear Information System (INIS)

    We compared the performance of phosphorescent white organic light emitting diodes (WOLEDs) with red-blue-green and green-blue-red sequent emissive layers. It was found that the influence of red and green dopants on electron and hole transport in emissive layers leads to the large difference in the efficiency of fabricated WOLEDs. This improvement mechanism is well investigated by the current density-voltage characteristics of single-carrier devices based on dopant doped emissive layers and the comparison of electroluminescent and photoluminescence spectra, and attributed to the different change of charge carrier transport by the dopants. The optimized device achieves a maximum power efficiency, current efficiency, and external quantum efficiency of 37.0 lm/W, 38.7 cd/A, and 17.7%, respectively, which are only reduced to 32.8 lm/W, 38.5 cd/A, and 17.3% at 1000 cd/m2 luminance. The critical current density is as high as 210 mA/cm2. It can be seen that the efficiency roll-off in phosphorescent WOLEDs can be well improved by effectively designing the structure of emissive layers

  5. Polar auxin transport: models and mechanisms

    NARCIS (Netherlands)

    Berkel, van K.; Boer, de R.J.; Scheres, B.; Tusscher, ten K.

    2013-01-01

    Spatial patterns of the hormone auxin are important drivers of plant development. The observed feedback between the active, directed transport that generates auxin patterns and the auxin distribution that influences transport orientation has rendered this a popular subject for modelling studies. Her

  6. Third-order TRANSPORT: A computer program for designing charged particle beam transport systems

    International Nuclear Information System (INIS)

    TRANSPORT has been in existence in various evolutionary versions since 1963. The present version of TRANSPORT is a first-, second-, and third-order matrix multiplication computer program intended for the design of static-magnetic beam transport systems. This report discusses the following topics on TRANSPORT: Mathematical formulation of TRANSPORT; input format for TRANSPORT; summaries of TRANSPORT elements; preliminary specifications; description of the beam; physical elements; other transformations; assembling beam lines; operations; variation of parameters for fitting; and available constraints -- the FIT command

  7. Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties

    Science.gov (United States)

    Brenner, Thomas M.; Egger, David A.; Kronik, Leeor; Hodes, Gary; Cahen, David

    2016-01-01

    Solution-processed hybrid organic-inorganic perovskites (HOIPs) exhibit long electronic carrier diffusion lengths, high optical absorption coefficients and impressive photovoltaic device performance. Recent results allow us to compare and contrast HOIP charge-transport characteristics to those of III-V semiconductors — benchmarks of photovoltaic (and light-emitting and laser diode) performance. In this Review, we summarize what is known and unknown about charge transport in HOIPs, with particular emphasis on their advantages as photovoltaic materials. Experimental and theoretical findings are integrated into one narrative, in which we highlight the fundamental questions that need to be addressed regarding the charge-transport properties of these materials and suggest future research directions.

  8. Charge transport in organic semiconductors with application to optoelectronic devices

    OpenAIRE

    Montero Martín, José María

    2010-01-01

    El estudio del transporte de carga en semiconductores orgánicos contribuye al desarrollo y optimización de LEDs orgánicos y nuevas células solares. En OLEDs de un sólo portador se ha encontrado una fórmula explícita de la característica densidad de corriente y potencial (J-V) con movilidad dependiente del campo eléctrico. Un test para diferenciar la movilidad dependiente del campo y de la densidad ha sido dado por medio de una ley universal de escalado. Los espectros de capacidad y los tiempo...

  9. Quantum chemistry and charge transport in biomolecules with superconducting circuits

    Science.gov (United States)

    García-Álvarez, L.; Las Heras, U.; Mezzacapo, A.; Sanz, M.; Solano, E.; Lamata, L.

    2016-06-01

    We propose an efficient protocol for digital quantum simulation of quantum chemistry problems and enhanced digital-analog quantum simulation of transport phenomena in biomolecules with superconducting circuits. Along these lines, we optimally digitize fermionic models of molecular structure with single-qubit and two-qubit gates, by means of Trotter-Suzuki decomposition and Jordan-Wigner transformation. Furthermore, we address the modelling of system-environment interactions of biomolecules involving bosonic degrees of freedom with a digital-analog approach. Finally, we consider gate-truncated quantum algorithms to allow the study of environmental effects.

  10. Quantum chemistry and charge transport in biomolecules with superconducting circuits

    Science.gov (United States)

    García-Álvarez, L.; Las Heras, U.; Mezzacapo, A.; Sanz, M.; Solano, E.; Lamata, L.

    2016-01-01

    We propose an efficient protocol for digital quantum simulation of quantum chemistry problems and enhanced digital-analog quantum simulation of transport phenomena in biomolecules with superconducting circuits. Along these lines, we optimally digitize fermionic models of molecular structure with single-qubit and two-qubit gates, by means of Trotter-Suzuki decomposition and Jordan-Wigner transformation. Furthermore, we address the modelling of system-environment interactions of biomolecules involving bosonic degrees of freedom with a digital-analog approach. Finally, we consider gate-truncated quantum algorithms to allow the study of environmental effects. PMID:27324814

  11. The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems

    OpenAIRE

    Woellner, Cristiano F.; Machado, Leonardo D.; Autreto, Pedro A.S.; Freire, Jose A.; Galvao, Douglas S.

    2015-01-01

    In this work we use a three-dimensional Pauli master equation to investigate the charge carrier mobility of a two-phase system, which can mimic donor-acceptor and amorphous- crystalline bulk heterojunctions. Our approach can be separated into two parts: the morphology generation and the charge transport modeling in the generated blend. The morphology part is based on a Monte Carlo simulation of binary mixtures (donor/acceptor). The second part is carried out by numerically solving the steady-...

  12. Charge transport in colloidal ZnO nanocrystal solids: The significance of surface states

    International Nuclear Information System (INIS)

    We investigate charge transport behaviour in colloidal ZnO nanocrystal solids with different surface states. Our results show that the logarithm of the conductivity scales with −T−1/4, suggestive of Mott variable-range hopping. Analysis of the density of states at the Femi level suggests that the charge hopping occurs through surface or defect states, rather than by direct hopping between quantum-confined conduction band states of the nanocrystals

  13. Solution, surface, and single molecule platforms for the study of DNA-mediated charge transport

    OpenAIRE

    Muren, Natalie B.; Olmon, Eric D.; Barton, Jacqueline K.

    2012-01-01

    The structural core of DNA, a continuous stack of aromatic heterocycles, the base pairs, which extends down the helical axis, gives rise to the fascinating electronic properties of this molecule that is so critical for life. Our laboratory and others have developed diverse experimental platforms to investigate the capacity of DNA to conduct charge, termed DNA-mediated charge transport (DNA CT). Here, we present an overview of DNA CT experiments in solution, on surfaces, and with single molecu...

  14. A Nelder and Mead Methodology for Solving Small Fixed-Charge Transportation Problems

    OpenAIRE

    G Kannan; Senthil, P.; P. Sasikumar; V.P. Vinay

    2008-01-01

    The term ‘supply chain management’ has become common in the business world, which can be understood from the positive results of research in the area, particularly in supply chain optimization. Transportation is a frontier in achieving the objectives of the supply chain. Thrust is also given to optimization problems in transportation. The fixed-charge transportation problem is an extension of the transportation problem that includes a fixed cost, along with a variable cost that is proport...

  15. Connection between charge-density-wave order and charge transport in the cuprate superconductors

    OpenAIRE

    Tabis, W.; Li, Y; Tacon, M. Le; Braicovich, L.; Kreyssig, A.; Minola, M.; Dellea, G.; Weschke, E.; Veit, M. J.; Ramazanoglu, M.; Goldman, A. I.; T. Schmitt; Ghiringhelli, G.; Barišić, N.; Chan, M. K.

    2014-01-01

    Charge-density-wave (CDW) correlations within the quintessential CuO$_2$ planes have been argued to either cause [1] or compete with [2] the superconductivity in the cuprates, and they might furthermore drive the Fermi-surface reconstruction in high magnetic fields implied by quantum oscillation (QO) experiments for YBa$_2$Cu$_3$O$_{6+{\\delta}}$ (YBCO) [3] and HgBa$_2$CuO$_{4+{\\delta}}$ (Hg1201) [4]. Consequently, the observation of bulk CDW order in YBCO was a significant development [5,6,7]...

  16. Ion beam induced charge imaging of charge transport in CdTe and CdZnTe

    International Nuclear Information System (INIS)

    Ion beam induced charge (IBIC) imaging is a powerful technique for quantitative mapping of the charge transport performance of wide bandgap semiconductor materials. In this paper we present results from a study of electron and hole mobility-lifetime product and drift mobility in CdTe:Cl and CdZnTe, which are semiconductor materials used for radiation detector applications. IBIC imaging has been used to produce mobility-lifetime product maps in CdTe:Cl and CdZnTe, revealing the influence of extended defects and tellurium inclusions and assessing the large area response uniformity of the materials. The recent extension of this method in the form of digital time-resolved IBIC is also discussed and time of flight maps are presented which give quantitative images of electron and hole drift mobility

  17. Surface charge-specific interactions between polymer nanoparticles and ABC transporters in Caco-2 cells

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharjee, Sourav, E-mail: sourav.bhattacharjee@wur.nl [Wageningen University, Laboratory of Organic Chemistry (Netherlands); Opstal, Edward J. van; Alink, Gerrit M. [Wageningen University, Division of Toxicology (Netherlands); Marcelis, Antonius T. M.; Zuilhof, Han [Wageningen University, Laboratory of Organic Chemistry (Netherlands); Rietjens, Ivonne M. C. M. [Wageningen University, Division of Toxicology (Netherlands)

    2013-06-15

    The surface charge-dependent transport of polymeric nanoparticles (PNPs) across Caco-2 monolayers grown on transwell culture systems as an in vitro model for intestinal transport was tested. The transport of well-characterized, monodisperse, and fluorescent tri-block copolymer nanoparticles (TCNPs/size {approx}45 nm) and polystyrene nanoparticles (PSNPs/size {approx}50 nm), with different surface charges (positive and negative), was quantified. The positive PNPs showed a higher intracellular uptake and flux across the Caco-2 monolayers than the negative PNPs. Multidrug resistance/P-glycoprotein (MDR1/P-gp), a specific ATP-binding cassette (ABC) transporter, was found to play a major role in the cellular efflux of positive PNPs, whereas the multidrug resistance protein 1 took part in the efflux of negative PNPs from Caco-2 cells. The positive PNPs also caused an increased cellular uptake and apical to basolateral transport of the carcinogen PhIP across the Caco-2 monolayer. The flavonoid quercetin, which is known to interact with ABC transporters, promoted the intracellular uptake of different PNPs and interfered with the normal distribution patterns of PNPs in the transwell system. These results indicate that PNPs display surface charge-specific interactions with ABC transporters and can even affect the bioavailability of toxic food-borne compounds (like pro-carcinogens).

  18. The Development of Conductive Nano porous Chitosan Polymer Membrane for Selective Transport of Charged Molecules

    International Nuclear Information System (INIS)

    We present the development of conductive nano porous CNT/chitosan membrane for charge-selective transport of charged molecules, carboxyl fluorescein (CF), substance P, and tumor necrosis factor-alpha (TNF-α). The membrane was made porous and conductive via gelatin nanoparticle leaching technique and addition of carbon nano tubes, respectively. These nano porous membranes discriminate the diffusion of positive-charged molecules while inhibiting the passage of negative-charged molecules as positive potential was applied. The permeation selectivity of these membranes is reversed by converting the polarity of applied potential into negative. Based on this principle, charged molecules (carboxyl fluorescein, substance P, and TNF-α) are successfully filtered through these membranes. This system shows 30 times more selective for CF than substance P as positive potential was applied, while 2.5 times more selective for substance P than CF as negative potential was applied.

  19. The Development of Conductive Nanoporous Chitosan Polymer Membrane for Selective Transport of Charged Molecules

    Directory of Open Access Journals (Sweden)

    Pei-Ru Chen

    2013-01-01

    Full Text Available We present the development of conductive nanoporous CNT/chitosan membrane for charge-selective transport of charged molecules, carboxylfluorescein (CF, substance P, and tumor necrosis factor-alpha (TNF-α. The membrane was made porous and conductive via gelatin nanoparticle leaching technique and addition of carbon nanotubes, respectively. These nanoporous membranes discriminate the diffusion of positive-charged molecules while inhibiting the passage of negative-charged molecules as positive potential was applied. The permeation selectivity of these membranes is reversed by converting the polarity of applied potential into negative. Based on this principle, charged molecules (carboxylfluorescein, substance P, and TNF-α are successfully filtered through these membranes. This system shows 30 times more selective for CF than substance P as positive potential was applied, while 2.5 times more selective for substance P than CF as negative potential was applied.

  20. Transport and Deposition of Variably Charged Soil Colloids in Saturated Porous Media

    DEFF Research Database (Denmark)

    Sharma, Anu; Kawamoto, Ken; Møldrup, Per; de Jonge, Lis Wollesen; Komatsu, Toshiko

    2011-01-01

    A series of column experiments was conducted to investigate the transport and deposition of variably charged colloids in saturated porous media. Soil colloids with diameters <1 mm were extracted from a volcanic-ash soil from Nishi-Tokyo (referred to here as VAS colloids) and a red-yellow soil from...... of both soil colloids and sand grains, thereby increasing colloid deposition. This study emphasizes that the pH-dependent surface charge of both mobile colloids and receiving porous media needs more consideration in models for colloid and colloid-facilitated transport in soil....

  1. Algorithms for solving the single-sink fixed-charge transportation problem

    DEFF Research Database (Denmark)

    Klose, Andreas

    2006-01-01

    The single-sink fixed-charge transportation problem is an important subproblem of the fixed-charge transportation problem. Just a few methods have been proposed in the literature to solve this problem. In this paper, solution approaches based on dynamic programming and implicit enumeration are...... revisited. It is shown how the problem size as well as the search space of a recently published dynamic programming method can be reduced by exploiting reduced cost information. Additionally, a further implicit enumeration approach relying on solution concepts for the binary knapsack problem is introduced...

  2. A Method for Sizing Booster Charges in Pyrotechnic Mechanisms

    Science.gov (United States)

    Bement, Laurence J.

    1998-01-01

    Since no generally accepted guidelines exist on sizing booster charges to assure functional margins in pyrotechnically actuated devices, a study was conducted to provide an approach to meet this need. An existing pyrovalve was modified from a single cartridge input to a dual-cartridge input with a booster charge. The objectives of this effort were to demonstrate an energy-based functional margin approach for sizing booster charges, and to determine booster charge energy delivery characteristics in this valve. Functional margin was demonstrated by determining the energy required to actuate the valve through weight drop tests for comparison to the energy delivered by the cartridge and booster charge in firings in the modified valve. The results of this study indicated that this energy-based approach fully met the study objectives, showing its usefulness for this and possibly other pyrotechnic devices.

  3. Plasmon Decay and Thermal Transport from Spin-Charge Coupling in Generic Luttinger Liquids

    Science.gov (United States)

    Levchenko, Alex

    2014-11-01

    We discuss the violation of spin-charge separation in generic nonlinear Luttinger liquids and investigate its effect on the relaxation and thermal transport of genuine spin-1 /2 electron liquids in ballistic quantum wires. We identify basic scattering processes compatible with the symmetry of the problem and conservation laws that lead to the decay of plasmons into the spin modes. We derive a closed set of coupled kinetic equations for the spin-charge excitations and solve the problem of thermal conductance of interacting electrons for an arbitrary relation between the quantum wire length and spin-charge thermalization length.

  4. Kinetic phenomena in charged particle transport in gases and plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, Zoran Lj.; Dujko, Sasa; Sasic, Olivera; Stojanovic, Vladimir; Malovic, Gordana [Institute of Physics, University of Belgrade, POB 68 11080 Zemun (Serbia); Faculty of Traffic Engineering, University of Belgrade Belgrade (Serbia); Institute of Physics, University of Belgrade, POB 68 11080 Zemun (Serbia)

    2012-05-25

    The key difference between equilibrium (thermal) and non-equilibrium (low temperature - a.k.a. cold) plasmas is in the degree in which the shape of the cross sections influences the electron energy distribution function (EEDF). In this paper we will discuss the issue of kinetic phenomena from two different angles. The first will be how to take advantage of the strong influence and use low current data to obtain the cross sections. This is also known as the swarm technique and the product of a ''swarm analysis'' is a set of cross sections giving good number, momentum and energy balances of electrons or other charged particles. At the same time understanding the EEDF is based on the cross section data. Nevertheless sometimes the knowledge of the cross sections and even the behaviour of individual particles are insufficient to explain collective behaviour of the ensemble. The resulting ''kinetic'' effects may be used to favour certain properties of non-equilibrium plasmas and even may be used as the basis of some new plasma applications.

  5. Effect of gaseous void on bipolar charge transport in layered polymer film

    International Nuclear Information System (INIS)

    This paper describes a hybrid algorithm to study the effect of a gaseous void on bipolar charge transport in layered polymer film. This hybrid algorithm uses a source distribution technique based on an axisymmetric boundary integral equation method to solve the Poisson equation and a fourth order Runge–Kutta (RK4) method with an upwind scheme for time integration. Iterative stability is assured by satisfying the Courant–Friedrichs–Levy stability criterion. Dynamic charge mapping is achieved by allowing conducting and insulating boundaries and material interfaces to be represented by equivalent free and bound charge distributions that collectively satisfy all local and far-field conditions. This hybrid technique caters to bipolar charge injection, field-dependent mobility transport, recombination, and trapping/de-trapping in the bulk and at material and physical interfaces. The resulting charge map is the taxonomy of the different charge types and their abundance, and presents a dynamic view of the temporal and spatial distributions. The paper is motivated by images of breakdown experiments that point to the role of gaseous void in delamination growth. For the test configuration, the high field at the edge of the gaseous void act as a sink first for positive and then negative charge. The net effect is to increase delamination stress at the edge leading to further growth of the defect and increasing the potential for partial discharge within the void. (paper)

  6. Frequency dependent magneto-transport in charge transfer Co(II) complex

    International Nuclear Information System (INIS)

    A charge transfer chelated system containing ferromagnetic metal centers is the ideal system to investigate the magneto-transport and magneto-dielectric effects due to the presence of both electronic as well as magnetic properties and their coupling. Magneto-transport properties in materials are usually studied through dc charge transport under magnetic field. As frequency dependent conductivity is an essential tool to understand the nature of carrier wave, its spatial extension and their mutual interaction, in the present work, we have investigated frequency dependent magneto-transport along with magnetization behavior in [Co2(II)-(5-(4-PhMe)-1,3,4-oxadiazole-H+-2-thiolate)5](OAc)4 metal complex to elucidate the nature of above quantities and their response under magnetic field in the transport property. We have used the existing model for ac conduction incorporating the field dependence to explain the frequency dependent magneto-transport. It is seen that the frequency dependent magneto-transport could be well explained using the existing model for ac conduction. -Highlights: • Chelated Co(II) complex is synthesized for magneto-transport applications. • Frequency dependent magneto-transport and magnetization behavior are studied. • Nature of carrier wave, its spatial extension is investigated under magnetic field. • Existing model for ac conduction is used with magnetic field dependence

  7. Thickness-dependent charge transport in few-layer MoS2 field-effect transistors

    Science.gov (United States)

    Lin, Ming-Wei; Kravchenko, Ivan I.; Fowlkes, Jason; Li, Xufan; Puretzky, Alexander A.; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai

    2016-04-01

    Molybdenum disulfide (MoS2) is currently under intensive study because of its exceptional optical and electrical properties in few-layer form. However, how charge transport mechanisms vary with the number of layers in MoS2 flakes remains unclear. Here, exfoliated flakes of MoS2 with various thicknesses were successfully fabricated into field-effect transistors (FETs) to measure the thickness and temperature dependences of electrical mobility. For these MoS2 FETs, measurements at both 295 K and 77 K revealed the maximum mobility for layer thicknesses between 5 layers (˜3.6 nm) and 10 layers (˜7 nm), with ˜70 cm2 V-1 s-1 measured for 5 layer devices at 295 K. Temperature-dependent mobility measurements revealed that the mobility rises with increasing temperature to a maximum. This maximum occurs at increasing temperature with increasing layer thickness, possibly due to strong Coulomb scattering from charge impurities or weakened electron-phonon interactions for thicker devices. Temperature-dependent conductivity measurements for different gate voltages revealed a metal-to-insulator transition for devices thinner than 10 layers, which may enable new memory and switching applications. This study advances the understanding of fundamental charge transport mechanisms in few-layer MoS2, and indicates the promise of few-layer transition metal dichalcogenides as candidates for potential optoelectronic applications.

  8. Electric field-dependent charge transport in organic semiconductors

    OpenAIRE

    Li, Ling; Van Winckel, Steven; Genoe, Jan; Heremans, Paul

    2009-01-01

    An analytical description is elaborated for the variable range hopping conduction mechanism in the presence of temperature and electric fields for quasi-three-dimensional organic semiconductor systems. In the proposed description, it is assumed that the localized states are randomly distributed in energy and space coordinates. The expression for the hopping conductivity is obtained for the Gaussian density of states. The model is applied to the analysis of both temperature and electric field-...

  9. Electrokinetic Transport in Nanochannels Grafted with Polyelectrolyte Brushes with End-Charging

    Science.gov (United States)

    Das, Siddhartha; Chen, Guang

    2015-11-01

    Electrokinetic transport in nanochannels grafted with polyelectrolyte (PE) brushes is important for applications such as ion transport, ion manipulation, flow valving, etc. We discuss here a semi-analytical mean field theory approach to study electrokinetic transport in nanochannels grafted with polyelectrolyte brushes with end-charging. The model first probes the thermodynamics and the electrostatics of the PE brushes by appropriately accounting for the entropic (elastic), excluded volume, and electrostatic effects. The resulting knowledge on the electrostatic potential and the PE configuration is next used to obtain the electroosmotic transport. Results demonstrate the role of surface charges (at the end of the PE brushes) in modifying (shrinking or swelling) the brush height. This, in turn, alters the electroosmotic body force and the PE brush layer induced drag force on the fluid flow; therefore, the flow field eventually evolves from a non-trivial interplay of the PE electrostatic, entropic, and excluded volume effects.

  10. Excess white noise to probe transport mechanisms in a membrane channel

    Science.gov (United States)

    Queralt-Martín, María; López, M. Lidón; Alcaraz, Antonio

    2015-06-01

    Current fluctuation analysis has been successfully used over the years to investigate the physical properties of different systems. Here, we perform single-channel time-resolved current experiments in a protein channel to evaluate the different transport mechanisms governing the channel function. Using different salts of monovalent and divalent cations in a wide range of concentrations and applied potentials, we analyze current fluctuations focusing on the voltage dependence of the additional white noise that appears in the low-frequency range of the spectra. We demonstrate that the channel displays two characteristic transport regimes: at low salt concentrations (10 mM to 1 M) ion permeation is controlled by the protein fixed charges that induce accumulation or exclusion of ions to preserve local electroneutrality. At high salt concentrations (>1 M ) adsorption processes associated to the binding of cations to the channel charges regulate the transport properties.

  11. Attenuation of DNA charge transport by compaction into a nucleosome core particle

    OpenAIRE

    Bjorklund, Chad C.; Davis, William B.

    2006-01-01

    The nucleosome core particle (NCP) is the fundamental building block of chromatin which compacts ∼146 bp of DNA around a core histone protein octamer. The effects of NCP packaging on long-range DNA charge transport reactions have not been adequately assessed to date. Here we study DNA hole transport reactions in a 157 bp DNA duplex (AQ-157TG) incorporating multiple repeats of the DNA TG-motif, a strong NCP positioning sequence and a covalently attached Anthraquinone photooxidant. Following a ...

  12. Characterization of wafer charging mechanisms and oxide survival prediction methodology

    International Nuclear Information System (INIS)

    Unipolar, EEPROM-based peak potential sensors and current sensors have been used to characterize the I-V relationship of charging transients which devices normally experience during the course of ion implantation. The results indicate that the charging sources may appear to behave like current-sources or voltage-sources, depending on the impedance of the load. This behavior may be understood in terms of plasma concepts. The ability to empirically characterize the I-V characteristics of charging sources using the CHARM-2 monitor wafers opens the way for prediction of failure rates of oxides subjected to specific processes, if the oxide Qbd distributions are known

  13. Jaumann transport in relativistic continuum mechanics

    International Nuclear Information System (INIS)

    The Jaumann derivative of a tensor field in relativity is defined by a formal generalization of a stress rate in viscoelasticity. A tensor field is said to be Jaumann transported if its Jaumann derivative vanishes. It is found that the gravitational potentials are Jaumann transported identically. The concept of a ''complete rotation tensor'' has been introduced to study the Jaumann derivative with respect to a null vector field. This provides a characterization of the integrability of a hypersurface orthogonal congruence. A perfect fluid collapsing by neutrino emission and undergoing Jaumann transport with respect to the neutrino flow is found to be compatible with that of a catastrophic collapse. The circumstances leading to the existence of ''ghost neutrinos'' are cited. The degeneracy of the Kerr-Newmann black hole into the Reissner-Nordstrom black hole is expressed in terms of the Jaumann propagation. (author)

  14. Jaumann transport in relativistic continuum mechanics

    Science.gov (United States)

    Radhakrishna, L.; Katkar, L. N.; Date, T. H.

    1981-10-01

    We define the Jaumann derivative of a tensor field in relativity by a formal generalization of a stress rate in viscoelasticity. A tensor field is said to be Jaumann transported iff its Jaumann derivative vanishes. It is found that the gravitational potentials are Jaumann transported identically. The concept of a “complete rotation tensor” has been introduced to study the Jaumann derivative with respect to a null vector field. This provides a characterization of the integrability of a hypersurface orthogonal congruence. A perfect fluid collapsing by neutrino emission and undergoing Jaumann transport with respect to the neutrino flow is found to be compatible with that of a catastrophic collapse. The circumstances leading to the existence of “ghost neutrinos” are cited. The degeneracy of the Kerr-Newman black hole into the Reissner-Nordstrom black hole is expressed in terms of the Jaumann propagation.

  15. Membrane transport mechanism 3D structure and beyond

    CERN Document Server

    Ziegler, Christine

    2014-01-01

    This book provides a molecular view of membrane transport by means of numerous biochemical and biophysical techniques. The rapidly growing number of atomic structures of transporters in different conformations and the constant progress in bioinformatics have recently added deeper insights.   The unifying mechanism of energized solute transport across membranes is assumed to consist of the conformational cycling of a carrier protein to provide access to substrate binding sites from either side of a cellular membrane. Due to the central role of active membrane transport there is considerable interest in deciphering the principles of one of the most fundamental processes in nature: the alternating access mechanism.   This book brings together particularly significant structure-function studies on a variety of carrier systems from different transporter families: Glutamate symporters, LeuT-like fold transporters, MFS transporters and SMR (RND) exporters, as well as ABC-type importers.   The selected examples im...

  16. An Acoustic Charge Transport Imager for High Definition Television

    Science.gov (United States)

    Hunt, William D.; Brennan, Kevin; May, Gary; Glenn, William E.; Richardson, Mike; Solomon, Richard

    1999-01-01

    This project, over its term, included funding to a variety of companies and organizations. In addition to Georgia Tech these included Florida Atlantic University with Dr. William E. Glenn as the P.I., Kodak with Mr. Mike Richardson as the P.I. and M.I.T./Polaroid with Dr. Richard Solomon as the P.I. The focus of the work conducted by these organizations was the development of camera hardware for High Definition Television (HDTV). The focus of the research at Georgia Tech was the development of new semiconductor technology to achieve a next generation solid state imager chip that would operate at a high frame rate (I 70 frames per second), operate at low light levels (via the use of avalanche photodiodes as the detector element) and contain 2 million pixels. The actual cost required to create this new semiconductor technology was probably at least 5 or 6 times the investment made under this program and hence we fell short of achieving this rather grand goal. We did, however, produce a number of spin-off technologies as a result of our efforts. These include, among others, improved avalanche photodiode structures, significant advancement of the state of understanding of ZnO/GaAs structures and significant contributions to the analysis of general GaAs semiconductor devices and the design of Surface Acoustic Wave resonator filters for wireless communication. More of these will be described in the report. The work conducted at the partner sites resulted in the development of 4 prototype HDTV cameras. The HDTV camera developed by Kodak uses the Kodak KAI-2091M high- definition monochrome image sensor. This progressively-scanned charge-coupled device (CCD) can operate at video frame rates and has 9 gm square pixels. The photosensitive area has a 16:9 aspect ratio and is consistent with the "Common Image Format" (CIF). It features an active image area of 1928 horizontal by 1084 vertical pixels and has a 55% fill factor. The camera is designed to operate in continuous mode

  17. Gold plasmonic effects on charge transport through single molecule junctions

    Science.gov (United States)

    Adak, Olgun; Venkataraman, Latha

    2014-03-01

    We study the impact of surface plasmon polaritons, the coupling of electromagnetic waves to collective electron oscillations on metal surfaces, on the conductance of single-molecule junctions. We use a scanning-tunneling microscope based break junction setup that is built into an optical microscope to form molecular junctions. Coherent 685nm light is used to illuminate the molecular junctions formed with 4,4'-bipyridine with diffraction limited focusing performance. We employ a lock-in type technique to measure currents induced by light. Furthermore, the thermal expansion due to laser heating is mimicked by mechanically modulating inter-electrode separation. For each junction studied, we measure current, and use AC techniques to determine molecular junction resonance levels and coupling strengths. We use a cross correlations analysis technique to analyze and compare the effect of light to that of the mechanical modulation. Our results show that junction transmission characteristics are not altered under illumination, within the resolution of our instrument. We argue that photo-currents measured with lock-in techniques in these kinds of structures are due to thermal effects. This work was funded by the Center for Re-Defining Photovoltaic Efficiency through Molecule Scale Control, an EFRC funded by the US Department of Energy, Office of Basic Energy Sciences under Contract No. DESC0001085.

  18. Electron transport mechanism of bathocuproine exciton blocking layer in organic photovoltaics.

    Science.gov (United States)

    Lee, Jeihyun; Park, Soohyung; Lee, Younjoo; Kim, Hyein; Shin, Dongguen; Jeong, Junkyeong; Jeong, Kwangho; Cho, Sang Wan; Lee, Hyunbok; Yi, Yeonjin

    2016-02-21

    Efficient exciton management is a key issue to improve the power conversion efficiency of organic photovoltaics (OPVs). It is well known that the insertion of an exciton blocking layer (ExBL) having a large band gap promotes the efficient dissociation of photogenerated excitons at the donor-acceptor interface. However, the large band gap induces an energy barrier which disrupts the charge transport. Therefore, building an adequate strategy based on the knowledge of the true charge transport mechanism is necessary. In this study, the true electron transport mechanism of a bathocuproine (BCP) ExBL in OPVs is comprehensively investigated by in situ ultraviolet photoemission spectroscopy, inverse photoemission spectroscopy, density functional theory calculation, and impedance spectroscopy. The chemical interaction between deposited Al and BCP induces new states within the band gap of BCP, so that electrons can transport through these new energy levels. Localized trap states are also formed upon the Al-BCP interaction. The activation energy of these traps is estimated with temperature-dependent conductance measurements to be 0.20 eV. The Al-BCP interaction induces both transport and trap levels in the energy gap of BCP and their interplay results in the electron transport observed. PMID:26821701

  19. Grain transport mechanics in shallow overland flow

    Science.gov (United States)

    A physical model based on continuum multiphase flow is described to represent saltating transport of grains in shallow overland flow. The two phase continuum flow of water and sediment considers coupled St.Venant type equations. The interactive cumulative effect of grains is incorporated by a disper...

  20. Grain transport mechanics in shallow flow

    Science.gov (United States)

    A physical model based on continuum multiphase flow is described to represent saltating transport of grains in shallow overland flows. The two-phase continuum flow of water and sediment considers coupled St.Venant type equations. The interactive cumulative effect of grains is incorporated by a dispe...

  1. Probing Out-of-Plane Charge Transport in Black Phosphorus with Graphene-Contacted Vertical Field-Effect Transistors

    Science.gov (United States)

    Kang, Junmo; Jariwala, Deep; Ryder, Christopher R.; Wells, Spencer A.; Choi, Yongsuk; Hwang, Euyheon; Cho, Jeong Ho; Marks, Tobin J.; Hersam, Mark C.

    2016-04-01

    Black phosphorus (BP) has recently emerged as a promising narrow band gap layered semiconductor with optoelectronic properties that bridge the gap between semi-metallic graphene and wide band gap transition metal dichalcogenides such as MoS2. To date, BP field-effect transistors have utilized a lateral geometry with in-plane transport dominating device characteristics. In contrast, we present here a vertical field-effect transistor geometry based on a graphene/BP van der Waals heterostructure. The resulting device characteristics include high on-state current densities (> 1600 A/cm2) and current on/off ratios exceeding 800 at low temperature. Two distinct charge transport mechanisms are identified, which are dominant for different regimes of temperature and gate voltage. In particular, the Schottky barrier between graphene and BP determines charge transport at high temperatures and positive gate voltages, whereas tunneling dominates at low temperatures and negative gate voltages. These results elucidate out-of-plane electronic transport in BP, and thus have implications for the design and operation of BP-based van der Waals heterostructures.

  2. Simulation and modelling of charge transport in dye-sensitized solar cells based on carbon nano-tube electrodes

    International Nuclear Information System (INIS)

    For a better understanding of the mechanisms of dye-sensitized solar cells (DSSCs), based on carbon nano-tube (CNT) electrodes, a phenomenological model is proposed. For modelling purposes, the meso-scopic porous CNT electrode is considered as a homogeneous nano-crystalline structure with thickness L. The CNT electrode is covered with light-absorbing dye molecules, and interpenetrated by the tri-iodide (I−/I3−) redox couple. A simulation platform, designed to study coupled charge transport in such cells, is presented here. The work aims at formulating a mathematical model that describes charge transfer and charge transport within the porous CNT window electrode. The model is based on a pseudo-homogeneous active layer using drift–diffusion transport equations for free electron and ion transport. Based on solving the continuity equation for electrons, the model uses the numerical finite difference method. The numerical solution of the continuity equation produces current–voltage curves that fit the diode equation with an ideality factor of unity. The calculated current–voltage (J–V) characteristics of the illuminated idealized DSSCs (100 mW cm−2, AM1.5), and the different series resistances of the transparent conductor oxide (TCO) layer were introduced into the idealized simulated photo J–V characteristics. The results obtained are presented and discussed in this paper. Thus, for a series resistance of 4 Ω of the TCO layer, the conversion efficiency (η) was 7.49% for the CNT-based cell, compared with 6.11% for the TiO2-based cell. Two recombination kinetic models are used, the electron transport kinetics within the nano-structured CNT film, or the electron transfer rate across the CNT–electrolyte interface. The simulations indicate that both electron and ion transport properties should be considered when modelling CNT-based DSSCs and other similar systems. Unlike conventional polycrystalline solar cells which exhibit carrier recombination, which

  3. Importance of Depletion Width on Charge Transport and Interfacial Recombination in Extremely Thin Absorber Solar Cells

    Science.gov (United States)

    Edley, Michael; Jones, Treavor; Baxter, Jason

    The dynamics of charge carrier transport and recombination and their dependence on physical and electrochemical length scales in extremely thin absorber (ETA) solar cells is vital to cell design. We used J-V characterization, transient photocurrent / photovoltage, and electrochemical impedance spectroscopy to study electron transport and interfacial recombination in ETA cell. ETA cells were composed of ZnO nanowires coated with an ultrathin (5 nm) CdS buffer layer and CdSe absorbers with thicknesses of 10 - 40 nm, with polysulfide electrolyte. In thinner absorbers near short circuit, the depletion region can extend radially into the nanowire, inhibiting interfacial recombination rate. However, depleting the periphery of the nanowire reduces the cross sectional area for charge transport, resulting in longer characteristic collection times. Thicker absorbers suffered more significant bias-dependent collection, and we conclude that slight radial penetration of the depletion region into the nanowires enhances charge collection. This work highlights the importance of considering the impact of depletion width on charge transport and interfacial recombination in the design of liquid junction, semiconductor-sensitized solar cells.

  4. Influence of polar additives on charge transport in MEH-PPV

    Czech Academy of Sciences Publication Activity Database

    Toman, Petr; Nešpůrek, Stanislav; Weiter, M.; Vala, M.; Sworakowski, J.; Bartkowiak, W.

    Toyohashi : Toyohashi University of Technology, School of Materials, 2006. P-24-b. [International Conference on Polymers and Organic Chemistry /12./. 02.07.2006-07.07.2006, Okazaki] R&D Projects: GA ČR GA203/06/0285 Keywords : charge transport * conducting polymers * photochromism Subject RIV: CD - Macromolecular Chemistry

  5. Charge carrier transport properties in CdTe measured with time of flight technique

    International Nuclear Information System (INIS)

    The experimental results of charge carrier transport properties obtained in high resistivity CdTe with time of flight technique is reviewed. The data for electrons and holes measured Cl and In doped material are presented. The effect of ionized scattering centers are also analyzed. A comparison between theory and experiment is made

  6. A fast and simple branching algorithm for solving small scale fixed-charge transportation problem

    OpenAIRE

    Krzysztof Kowalski; Benjamin Lev; Wenjing Shen; Yan Tu

    2014-01-01

    In this paper, we develop a simple algorithm for obtaining the global solution to a small scale fixed-charge transportation problem (FCTP). The procedure itself is very quick. The proposed method solves FCTP by decomposing the problem into series of smaller sub-problems, which is novel and can be useful to researchers solving any size of the problem.

  7. Two-dimensional charge transport in self-organized, high-mobility conjugated polymers

    DEFF Research Database (Denmark)

    Sirringhaus, H.; Brown, P.J.; Friend, R.H.;

    1999-01-01

    Self-organization in many solution-processed, semiconducting conjugated polymers results in complex microstructures, in which ordered microcrystalline domains are embedded in an amorphous matrix(I). This has important consequences for electrical properties of these materials: charge transport is ...

  8. Transverse charge transport through DNA oligomers in large-area molecular junctions

    NARCIS (Netherlands)

    Katsouras, I.; Piliego, C.; Blom, P.W.M.; Leeuw, D.M. de

    2013-01-01

    We investigate the nature of charge transport in deoxyribonucleic acid (DNA) using self-assembled layers of DNA in large-area molecular junctions. A protocol was developed that yields dense monolayers where the DNA molecules are not standing upright, but are lying flat on the substrate. As a result

  9. Wirelike charge transport dynamics for DNA-lipid complexes in chloroform.

    Science.gov (United States)

    Mishra, Ashutosh Kumar; Young, Ryan M; Wasielewski, Michael R; Lewis, Frederick D

    2014-11-01

    The dynamics of charge separation and charge recombination have been determined for lipid complexes of DNA capped hairpins possessing stilbene electron-acceptor and -donor chromophores separated by base-pair domains that vary in length and base sequence in chloroform solution by means of femtosecond time-resolved transient absorption spectroscopy. The results obtained for the DNA-lipid complexes are compared with those previously obtained in our laboratories for the same hairpins in aqueous buffer. The charge separation and charge recombination times for the lipid complexes are consistently much shorter than those determined in aqueous solution and are only weakly dependent on the number of base pairs separating the acceptor and donor. The enhanced rate constants for forward and return charge transport in DNA-lipid complexes support proposals that solvent gating is responsible, to a significant extent, for the relatively low rates of charge transport for DNA in water. Moreover, they suggest that DNA-lipid complexes may prove useful in the development of DNA-based molecular electronic devices. PMID:25299823

  10. Fluorescence study of the divalent cation-transport mechanism of ionophore A23187 in phospholipid membranes.

    OpenAIRE

    Kolber, M A; Haynes, D H

    1981-01-01

    The mechanism for transport of divalent cations across phospholipid bilayers by the ionophore A23187 was investigated. The intrinsic fluorescence of the ionophore was used in equilibrium and rapid-mixing experiments as an indicator of ionophore environment and complexation with divalent cations. The neutral (protonated) form of the ionophore binds strongly to the membrane, with a high quantum yield relative to that in the aqueous phase. The negatively charged form of the ionophore binds somew...

  11. Mechanism of electroinduced ionic species transport through a multilamellar lipid system.

    OpenAIRE

    Chizmadzhev, Y. A.; Zarnitsin, V G; Weaver, J C; Potts, R O

    1995-01-01

    A theoretical model for electroporation of multilamellar lipid system due to a series of large electrical pulses is presented and then used to predict the functional dependence of the transport of charged molecules. Previously, electroporation has been considered only for single bilayer systems such as artificial planar bilayer membranes and cell membranes. The former have been extensively studied with respect to electrical and mechanical behavior, and the latter with respect to molecular tra...

  12. Space charge compensation in the Linac4 low energy beam transport line with negative hydrogen ions

    Energy Technology Data Exchange (ETDEWEB)

    Valerio-Lizarraga, Cristhian A., E-mail: cristhian.alfonso.valerio.lizarraga@cern.ch [CERN, Geneva (Switzerland); Departamento de Investigación en Física, Universidad de Sonora, Hermosillo (Mexico); Lallement, Jean-Baptiste; Lettry, Jacques; Scrivens, Richard [CERN, Geneva (Switzerland); Leon-Monzon, Ildefonso [Facultad de Ciencias Fisico-Matematicas, Universidad Autónoma de Sinaloa, Culiacan (Mexico); Midttun, Øystein [CERN, Geneva (Switzerland); University of Oslo, Oslo (Norway)

    2014-02-15

    The space charge effect of low energy, unbunched ion beams can be compensated by the trapping of ions or electrons into the beam potential. This has been studied for the 45 keV negative hydrogen ion beam in the CERN Linac4 Low Energy Beam Transport using the package IBSimu [T. Kalvas et al., Rev. Sci. Instrum. 81, 02B703 (2010)], which allows the space charge calculation of the particle trajectories. The results of the beam simulations will be compared to emittance measurements of an H{sup −} beam at the CERN Linac4 3 MeV test stand, where the injection of hydrogen gas directly into the beam transport region has been used to modify the space charge compensation degree.

  13. Statistical Mechanics of Collective Transport by Ants

    Science.gov (United States)

    Pinkoviezky, Itai; Gelblum, Aviram; Fonio, Ehud; Ghosh, Abhijit; Gov, Nir; Feinerman, Ofer

    Collective decisions and cooperation within groups are essential for the survival of many species. Conflicts within the group must be suppressed but conformism may render the system unresponsive to new information. Collective transport by ants is therefore an ideal model system to study how animal groups optimize these opposing requirements. We combine experiments and theory to characterize the collective transport. The ants are modeled as binary Ising spins, representing the two roles ants can perform during transport. It turns out that the ants poise themselves collectively near a critical point where the response to a newly attached ant is maximized. We identify the size as being proportional to an inverse effective temperature and thus the system can exhibit a mesoscopic transition between order and disorder by manipulating the size. Constraining the cargo with a string makes the system behave as a strongly non-linear pendulum. Theoretically we predict that a Hopf bifurcation occurs at a critical size followed by a global bifurcation where full swings emerge. Remarkably, these theoretical predictions were verified experimentally.

  14. Homogenization of the Poisson-Nernst-Planck Equations for Ion Transport in Charged Porous Media

    CERN Document Server

    Schmuck, Markus

    2012-01-01

    Effective Poisson-Nernst-Planck (PNP) equations are derived for macroscopic ion transport in charged porous media. Homogenization analysis is performed for a two-component pe- riodic composite consisting of a dilute electrolyte continuum (described by standard PNP equations) and a continuous dielectric matrix, which is impermeable to the ions and carries a given surface charge. Three new features arise in the upscaled equations: (i) the effective ionic diffusivities and mobilities become tensors, related to the microstructure; (ii) the effective permittivity is also a tensor, depending on the electrolyte/matrix permittivity ratio and the ratio of the Debye screening length to mean pore size; and (iii) the surface charge per volume appears as a continuous "background charge density". The coeffcient tensors in the macroscopic PNP equations can be calculated from periodic reference cell problem, and several examples are considered. For an insulating solid matrix, all gradients are corrected by a single tortuosit...

  15. Iterated local search and record-to-record travel applied to the fixed charge transportation problem

    DEFF Research Database (Denmark)

    Andersen, Jeanne; Klose, Andreas

    The fixed charge transportation problem (FCTP) is a well-known and difficult optimization problem with lots of applications in logistics. It consists in finding a minimum cost network flow from a set of suppliers to a set of customers. Beside costs proportional to quantities transported, transpor......The fixed charge transportation problem (FCTP) is a well-known and difficult optimization problem with lots of applications in logistics. It consists in finding a minimum cost network flow from a set of suppliers to a set of customers. Beside costs proportional to quantities transported......, transportation costs do, however, include a fixed charge. Iterated local search and record-to-record travel are both simple local search based meta-heuristics that, to our knowledge, not yet have been applied to the FCTP. In this paper, we apply both types of search strategies and combine them into a single...... heuristic search procedure for the FCTP. The hybrid approach results in a relatively efficient heuristic method, capable to improve the currently best known heuristics for the FCTP on some of the test problem instances usually considered in the literature....

  16. Secondary metabolites in plants: transport and self-tolerance mechanisms.

    Science.gov (United States)

    Shitan, Nobukazu

    2016-07-01

    Plants produce a host of secondary metabolites with a wide range of biological activities, including potential toxicity to eukaryotic cells. Plants generally manage these compounds by transport to the apoplast or specific organelles such as the vacuole, or other self-tolerance mechanisms. For efficient production of such bioactive compounds in plants or microbes, transport and self-tolerance mechanisms should function cooperatively with the corresponding biosynthetic enzymes. Intensive studies have identified and characterized the proteins responsible for transport and self-tolerance. In particular, many transporters have been isolated and their physiological functions have been proposed. This review describes recent progress in studies of transport and self-tolerance and provides an updated inventory of transporters according to their substrates. Application of such knowledge to synthetic biology might enable efficient production of valuable secondary metabolites in the future. PMID:26940949

  17. Investigations on Cooling Mechanisms of Highly Charged Ions at HITRAP

    Science.gov (United States)

    Maero, Giancarlo; Herfurth, Frank; Kester, Oliver; Kluge, H.-Jürgen; Koszudowski, Stephen; Quint, Wolfgang; Schwarz, Stefan

    2009-03-01

    The upcoming facility HITRAP (Highly Charged Ion TRAP) at GSI will enable high-precision atomic-physics investigations on heavy, highly charged ions at extremely low energies. Species up to U92+ will be produced at the GSI accelerator complex by stripping of relativistic ions and injected into the Experimental Storage Ring (ESR) where they are electron-cooled and decelerated to 4 MeV/u. After ejection out of the ESR and further deceleration in a linear decelerator bunches of 105 ions will be injected into a Penning trap and cooled to 4 K via electron and resistive cooling. Simulations with a Particle-In-Cell (PIC) code have been carried out to study the dynamics of the ion cloud in the Cooler Trap with focus on resistive cooling in presence of space charge.

  18. Energy mechanism of charges analyzed in real current environment

    CERN Document Server

    Ianconescu, R; Ianconescu, Reuven

    2003-01-01

    We analyze in this work the energy transfer process of accelerated charges, the mass fluctuations accompanying this process, and their inertial properties. Based on a previous work, we use here the dipole antenna, which is a very convenient framework for such analysis, for analyzing those characteristics. We show that the radiation process can be viewed by two energy transfer processes: one from the energy source to the charges and the second from the charges into the surrounding space. Those processes, not being in phase, result in mass fluctuations. The same principle is true during absorption. We show that in a transient period between absorption and radiation the dipole antenna gains mass according to the amount of absorbed energy and loses this mass as radiated energy. We rigorously prove that the gain of mass, resulting from electrical interaction has inertial properties in the sense of Newton's third low. We arrive to this result by modeling the reacting spacetime region by an electric dipole.

  19. Emittance growth and space-charge compensation in the transport of intense ion beams

    International Nuclear Information System (INIS)

    The aim of the GSI transport experiment was the study of the periodic beam transport at space-charge dominated and at partially compensated ion beams. For this purpose a periodic transport channel was constructed which consisted of 6 periods with each two alternatingly poled magnetic quadrupoles. Faraday cups and beam transformers were available for current measurements. At the entrance and the end of the channel the emittances were measured in both transverse planes. The measurements were performed with Ar1+ ions and an energy of 190 keV. The ion currents lied between some μA and 5 mA. The quantity of the rms emittance could be varied from 0.5 mm.mrad to 15 mm.mrad. In agreement with the theoretical considerations the measurement results show that the compensation of the space charge of an ion beam sets on successively. (orig./HSI)

  20. Interface and charge transport studies in organic solar cells based on P3HT:PCBM bulk heterojunctions

    Science.gov (United States)

    Rujisamphan, Nopporn

    Interfaces and charge transport in organic solar cells based on P3HT:PCBM bulk heterojunctions (BHJ) were studied. State-of-the-art TEM sample preparation techniques, including in-situ lift-out, were used with a dual focused ion beam (FIB) system on a typical device (ITO/PEDOT:PSS/P3HT:PCBM/Al). Through bright field (BF) TEM micrographs a mixed layer between the Al electrode and the organic active layer (P3HT:PCBM) was clearly observed in both as-fabricated and annealed devices. The effect of Al contact resistance before and after annealing was studied using the vertical transmission line model (TLM). It was found that by annealing after Al evaporation, the contact resistivity decreased by 38%. Energy filtered transmission electron microscopy (EFTEM) clearly revealed a nanoscopic phase separation. From the EFTEM images, the average length and the diameter of P3HT fibrils were found to be approximately 70 nm and 15 nm, respectively. Combining the EFTEM, selected area electron diffraction (SAED) patterns and X-ray diffraction (XRD) results, the number and spacing of the ordered polymer chains in P3HT fibrils were calculated. There were about 18 repeating units of P3HT perpendicular to the fibril, about 184 layers of pi-pi* stacking along the fibril and about 9 layers of interchain stacking within the fibril. Accompanied by cross-section samples prepared by the FIB technique, the vertical morphology of each phase was analyzed. By collecting 30 eV energy loss images, the phase separation in the blend of P3HT:PCBM was distinguishable. A higher P3HT concentration was observed at the top of the cell. The temperature dependent charge separation and charge transport were studied using modulated surface photovoltage spectroscopy (SPV) on layers of P3HT, PCBM, and the blend. The unchanged character of the SPV spectra on the P3HT provides evidence that the mechanisms of charge separation, recombination and charge transport does not change qualitatively after cooling. It was

  1. A New Mechanism of Higgs Bosons in Producing Charge Particles

    DEFF Research Database (Denmark)

    Javadi, Hossein; Forouzbakhsh, Farshid

    2006-01-01

    A new production method of elementary particles by Higgs Bosons will be shown. But before that the structure of photon will be considered deeply, while a new definition of Higgs Boson about color-charges and color-magnet will be given for the first time.......A new production method of elementary particles by Higgs Bosons will be shown. But before that the structure of photon will be considered deeply, while a new definition of Higgs Boson about color-charges and color-magnet will be given for the first time....

  2. Discussion on Mechanism of Breech-Blow Caused by Propellant Charge

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    From the view point of launch safety caused by fracture of propellant charge, this paper points out that the safety criterion of pressure wave is inadequate to evaluate the launch safety of propellant charge based on the initial negative differential pressure and sensitivity tests. Generally, the maximum barrel pressure does not depend upon the intensity of pressure wave correspondingly. The pressure wave intensity can not describe the fracture degree of propellant charge in chamber and reflect the mechanical environment of propellant charge fracturing exactly and wholly. The evaluation criterion for launch safety of propellant charge should be built on the basis of depicting the fracture degree of propellant bed.

  3. Charge transport and recombination dynamics in organic bulk heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Baumann, Andreas

    2011-08-02

    The charge transport in disordered organic bulk heterojunction (BHJ) solar cells is a crucial process affecting the power conversion efficiency (PCE) of the solar cell. With the need of synthesizing new materials for improving the power conversion efficiency of those cells it is important to study not only the photophysical but also the electrical properties of the new material classes. Thereby, the experimental techniques need to be applicable to operating solar cells. In this work, the conventional methods of transient photoconductivity (also known as ''Time-of-Flight'' (TOF)), as well as the transient charge extraction technique of ''Charge Carrier Extraction by Linearly Increasing Voltage'' (CELIV) are performed on different organic blend compositions. Especially with the latter it is feasible to study the dynamics - i.e. charge transport and charge carrier recombination - in bulk heterojunction (BHJ) solar cells with active layer thicknesses of 100-200 nm. For a well performing organic BHJ solar cells the morphology is the most crucial parameter finding a trade-off between an efficient photogeneration of charge carriers and the transport of the latter to the electrodes. Besides the morphology, the nature of energetic disorder of the active material blend and its influence on the dynamics are discussed extensively in this work. Thereby, the material system of poly(3-hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl-C{sub 61}butyric acid methyl ester (PC{sub 61}BM) serves mainly as a reference material system. New promising donor or acceptor materials and their potential for application in organic photovoltaics are studied in view of charge dynamics and compared with the reference system. With the need for commercialization of organic solar cells the question of the impact of environmental conditions on the PCE of the solar cells raises. In this work, organic BHJ solar cells exposed to synthetic air for finite duration are

  4. 3-D pore-scale resolved model for coupled species/charge/fluid transport in a vanadium redox flow battery

    International Nuclear Information System (INIS)

    The vanadium redox flow battery (VRFB) has emerged as a viable grid-scale energy storage technology that offers cost-effective energy storage solutions for renewable energy applications. In this paper, a novel methodology is introduced for modeling of the transport mechanisms of electrolyte flow, species and charge in the VRFB at the pore scale of the electrodes; that is, at the level where individual carbon fiber geometry and electrolyte flow are directly resolved. The detailed geometry of the electrode is obtained using X-ray computed tomography (XCT) and calibrated against experimentally determined pore-scale characteristics (e.g., pore and fiber diameter, porosity, and surface area). The processed XCT data is then used as geometry input for modeling of the electrochemical processes in the VRFB. The flow of electrolyte through the pore space is modeled using the lattice Boltzmann method (LBM) while the finite volume method (FVM) is used to solve the coupled species and charge transport and predict the performance of the VRFB under various conditions. An electrochemical model using the Butler–Volmer equations is used to provide species and charge coupling at the surfaces of the carbon fibers. Results are obtained for the cell potential distribution, as well as local concentration, overpotential and current density profiles under galvanostatic discharge conditions. The cell performance is investigated as a function of the electrolyte flow rate and external drawing current. The model developed here provides a useful tool for building the structure–property–performance relationship of VRFB electrodes.

  5. Analysis of the Contribution of Charge Transport in Iodine-125 induced DNA Damage

    OpenAIRE

    Ndlebe, Thabisile; Panyutin, Igor; Neumann, Ronald

    2010-01-01

    Auger electron emitters, like iodine-125, are the radionuclides of choice for gene-targeted radiotherapy. The highly localized damage they induced in DNA is produced by three mechanisms: direct damage by the emitted Auger electrons, indirect damage by diffusible free radicals produced by Auger electrons travelling in water, and charge neutralization of the residual, highly positively charged, tellurium daughter atom by stripping electrons from covalent bonds of neighboring residues. The purpo...

  6. Charge Effects on Mechanical Properties of Elastomeric Proteins

    Science.gov (United States)

    Kappiyoor, Ravi; Balasubramanian, Ganesh; Dudek, Daniel; Puri, Ishwar

    2012-02-01

    Several biological molecules of nanoscale dimensions, such as elastin and resilin, are capable of performing diverse tasks with minimal energy loss. These molecules are efficient in that the ratio of energy output to energy consumed is very close to unity. This is in stark contrast to some of the best synthetic materials that have been created. For example, it is known that resilin found in dragonflies has a hysteresis loss of only 0.8% of the energy input while the best synthetic rubber made to date, polybutadiene, has a loss of roughly 20%.We simulate tensile tests of naturally occurring motifs found in resilin (a highly hydrophilic protein), as well as similar simulations found in reduced-polarity counterparts (i.e. the same motif with the charge on each individual atom set to half the natural value, the same motif with the charge on each individual atom set to zero, and a motif in which all the polar amino acids have been replaced with nonpolar amino acids). The results show a strong correlation between charge and extensibility. In order to further understand the effect of properties such as charge on the system, we will run simulations of elastomeric proteins such as resilin in different solvents.

  7. EDITORIAL: The effects of spin-orbit interaction on charge transport The effects of spin-orbit interaction on charge transport

    Science.gov (United States)

    Molenkamp, Laurens; Nitta, Junsaku

    2009-05-01

    As the information and communications technology industries continue to demand smaller and more powerful electronic devices, it is becoming clear that the technologies which we currently rely upon to store, process and encode data are no longer sufficient. Over the past two decades, the field of spintronics has emerged as a promising source of the new technologies that will help to meet these needs. Following the discovery of giant magnetoresistance in the late 1980s research originally focused on achieving larger and larger magnetoresistance effects in metal-based systems. The resulting devices have already found widespread applications (as read heads in hard drives, for example) and more recent developments (spin torque, domain wall effects) demonstrate a similarly large potential. The development of semiconductor spintronic devices, which promise an even more enhanced functionality, has proved a tougher challenge to researchers. While the physics of spin injection in semiconductors is well understood by now, we presently still do not have a reliable and robust means for spin detection. Moreover, while ferromagnetic semiconductors have shown a wealth of novel device physics, the applicability of these concepts is limited because the community still has not found a material that demonstrates robust ferromagnetism at and above room temperature. Because of this, a growing number of researchers has turned to the utilization of spin--orbit interaction as a tool to manipulate spin behaviour within semiconductors. This cluster of articles reflects this trend in spintronics research and the blend of reviews and novel research provides a good overview of the current status of investigation into spin--orbit interaction and its effect on charge transport. The collection includes review papers on the theory of the impact of spin-orbit effects on weak localization in semiconductor heterostructures (Glazov and Golub) and of shot noise in 2DEG devices (Nikolic and Dragomirova

  8. Mechanism of isotonic water transport in glands.

    Science.gov (United States)

    Ussing, H H; Eskesen, K

    1989-07-01

    Since water and electrolytes pass cell membranes via separate channels, there can be no interactions in the membranes, and osmotic interactions between water and solutes can be expressed as the product of solute flux, frictional coefficient of solute, and length of pathway. It becomes clear that isotonic transport via a cell is impossible. In glands, where cation-selective junctions impede anion flux between the cells, isotonic water transport is only possible if sodium, after having passed the junction, is reabsorbed in the acinus and returned to the serosal side. Thus it can be recycled via the cation-selective junction and exert its drag on water more than once. This hypothesis was tested on frog skin glands. Skins were mounted in flux chambers with identical Ringer solutions on both sides. Na channels of the principal cells were closed with amiloride in the outside solution, and secretion stimulated with noradrenaline in the inside solution. Influx and efflux of Na, K and Br (used as tracer for Cl) were measured on paired half-skins during the constant-secretion phase. Flux ratios for both Na and K were higher than expected for electrodiffusion, indicating outgoing solvent drag. Flux ratios for K were much higher than those for Na. This is an agreement with the concept that Na is reabsorbed in the acinus and K is not. Two independent expressions for the degree of sodium recycling are developed. Under all experimental conditions these expressions give values for the recycling which are in good agreement. PMID:2473601

  9. 2D coherent charge transport in highly ordered conducting polymers doped by solid state diffusion

    Science.gov (United States)

    Kang, Keehoon; Watanabe, Shun; Broch, Katharina; Sepe, Alessandro; Brown, Adam; Nasrallah, Iyad; Nikolka, Mark; Fei, Zhuping; Heeney, Martin; Matsumoto, Daisuke; Marumoto, Kazuhiro; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Sirringhaus, Henning

    2016-08-01

    Doping is one of the most important methods to control charge carrier concentration in semiconductors. Ideally, the introduction of dopants should not perturb the ordered microstructure of the semiconducting host. In some systems, such as modulation-doped inorganic semiconductors or molecular charge transfer crystals, this can be achieved by spatially separating the dopants from the charge transport pathways. However, in conducting polymers, dopants tend to be randomly distributed within the conjugated polymer, and as a result the transport properties are strongly affected by the resulting structural and electronic disorder. Here, we show that in the highly ordered lamellar microstructure of a regioregular thiophene-based conjugated polymer, a small-molecule p-type dopant can be incorporated by solid state diffusion into the layers of solubilizing side chains without disrupting the conjugated layers. In contrast to more disordered systems, this allows us to observe coherent, free-electron-like charge transport properties, including a nearly ideal Hall effect in a wide temperature range, a positive magnetoconductance due to weak localization and the Pauli paramagnetic spin susceptibility.

  10. Theoretical study on charge injection and transport properties of six emitters with push–pull structure

    International Nuclear Information System (INIS)

    Highlights: • We investigated six small organic molecules by using computational approaches. • This investigation is mainly based on the Marcus electron transfer theory. • The density functional theory (DFT) was used in this investigation. • The IP, EA, reorganization energy and transfer integral were calculated. • We analyzed the charge properties of the molecules by using the computed results. - Abstract: The charge injection and transport properties of six organic light-emitting molecules with push–pull structures were studied by theoretical calculations. The ground-state geometries for the neutral, cationic and anionic states were optimized using density functional theory. Subsequently, the ionization potentials and electron affinities were calculated. We computed the reorganization energies and the transfer integrals based on the Marcus electron transfer theory. It was found that in addition to being emitters the six compounds are multifunctional materials being capable of transport for both holes and electrons. Moreover, the double-branched compound DCDPC2 was found to have higher charge injection ability and better balanced charge transport properties than single-branched compounds

  11. Effects of Confinement on Microstructure and Charge Transport in High Performance Semicrystalline Polymer Semiconductors

    KAUST Repository

    Himmelberger, Scott

    2012-11-23

    The film thickness of one of the most crystalline and highest performing polymer semiconductors, poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b] thiophene) (PBTTT), is varied in order to determine the effects of interfaces and confinement on the microstructure and performance in organic field effect transistors (OFETs). Crystalline texture and overall film crystallinity are found to depend strongly on film thickness and thermal processing. The angular distribution of crystallites narrows upon both a decrease in film thickness and thermal annealing. These changes in the film microstructure are paired with thin-film transistor characterization and shown to be directly correlated with variations in charge carrier mobility. Charge transport is shown to be governed by film crystallinity in films below 20 nm and by crystalline orientation for thicker films. An optimal thickness is found for PBTTT at which the mobility is maximized in unannealed films and where mobility reaches a plateau at its highest value for annealed films. The effects of confinement on the morphology and charge transport properties of poly(2,5-bis(3-tetradecylthiophen-2-yl) thieno[3,2-b]thiophene) (PBTTT) are studied using quantitative X-ray diffraction and field-effect transistor measurements. Polymer crystallinity is found to limit charge transport in the thinnest films while crystalline texture and intergrain connectivity modulate carrier mobility in thicker films. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Charge transport through split photoelectrodes in dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Fakharuddin, Azhar; Ahmed, Irfan; Yusoff, Mashitah M.; Jose, Rajan, E-mail: rjose@ump.edu.my [Nanostructured Renewable Energy Materials Laboratory, Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, Kuantan 26300 (Malaysia); Khalidin, Zulkeflee [Faculty of Electrical and Electronics Engineering, Universiti Malaysia Pahang, Kuantan 26600 (Malaysia)

    2014-04-28

    Charge transport and recombination are relatively ignored parameters while upscaling dye-sensitized solar cells (DSCs). Enhanced photovoltaic parameters are anticipated by merely widening the devices physical dimensions, viz., thickness and area as evident from the device design adopted in reported large area DSCs. These strip designs lead to ≤50% loss in photocurrent compared to the high efficiency lab scale devices. Herein, we report that the key to achieving higher current density (J{sub SC}) is optimized diffusion volume rather than the increased photoelectrode area because kinetics of the devices is strongly influenced by the varied choices of diffusion pathways upon increasing the electrode area. For a given electrode area and thickness, we altered the photoelectrode design by splitting the electrode into multiple fractions to restrict the electron diffusion pathways. We observed a correlation between the device physical dimensions and its charge collection efficiency via current-voltage and impedance spectroscopy measurements. The modified electrode designs showed >50% increased J{sub SC} due to shorter transport time, higher recombination resistance and enhanced charge collection efficiency compared to the conventional ones despite their similar active volume (∼3.36 × 10{sup −4} cm{sup 3}). A detailed charge transport characteristic of the split devices and their comparison with single electrode configuration is described in this article.

  13. Charge Carrier Transport and Photogeneration in P3HT:PCBM Photovoltaic Blends

    KAUST Repository

    Laquai, Frederic

    2015-05-03

    This article reviews the charge transport and photogeneration in bulk-heterojunction solar cells made from blend films of regioregular poly(3-hexylthiophene) (RR-P3HT) and methano­fullerene (PCBM). The charge transport, specifically the hole mobility in the RR-P3HT phase of the polymer:fullerene photovoltaic blend, is dramatically affected by thermal annealing. The hole mobility increases more than three orders of magnitude and reaches a value of up to 2 × 10−4 cm2 V−1 s−1 after the thermal annealing process as a result of an improved semi-crystallinity of the film. This significant increase of the hole mobility balances the electron and hole mobilities in a photovoltaic blend in turn reducing space-charge formation, and this is the most important factor for the strong enhancement of the photovoltaic efficiency compared to an as cast, that is, non-annealed device. In fact, the balanced charge carrier mobility in RR-P3HT:PCBM blends in combination with a field- and temperature-independent charge carrier generation and greatly reduced non-geminate recombination explains the large quantum efficiencies mea­sured in P3HT:PCBM photovoltaic devices.

  14. Electron injection and transport mechanism in organic devices based on electron transport materials

    Energy Technology Data Exchange (ETDEWEB)

    Khan, M A; Xu Wei; Khizar-ul-Haq; Zhang Xiaowen; Bai Yu; Jiang, X Y; Zhang, Z L; Zhu, W Q [Department of Materials Science, Shanghai University, Jiading 201800 (China)

    2008-11-21

    Electron injection and transport in organic devices based on electron transport (ET) materials, such as 4,7- diphyenyl-1,10-phenanthroline (Bathophenanthroline BPhen), 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (Bathocuproine BCP) and bipyridyl oxadiazole compound 1,3-bis [2-(2,2'-bipyridin-6-yl)-1,3,4-oxadiazol-5-yl]benzene (Bpy-OXD), have been reported. The devices are composed of ITO/ET materials (BPhen, BCP Bpy-OXD)/cathodes, where cathodes = Au, Al and Ca. Current-voltage characteristics of each ET material are performed as a function of cathodes. We have found that Ca and Al exhibit quite different J-V characteristics compared with the gold (Au) cathode. The current is more than one order of magnitude higher for the Al cathode and more than three orders of magnitude higher for Ca compared with that of the Au cathode at {approx}8 V for all ET materials. This is because of the relatively low energy barrier at the organic/metal interface for Ca and Al cathodes. Electron-only devices with the Au cathode show that the electron transfer limitation is located at the organic/cathode interface and the Fowler-Nordheim mechanism is qualitatively consistent with experimental data at high voltages. With Ca and Al cathodes, electron conduction is preponderant and is bulk limited. A power law dependence J {approx} V{sup m} with m > 2 is consistent with the model of trap-charge limited conduction. The total electron trap density is estimated to be {approx}5 x 10{sup 18} cm{sup -3}. The critical voltage (V{sub c}) is found to be {approx}45 V and is almost independent of the materials.

  15. Universal crossover of the charge carrier fluctuation mechanism in different polymer/carbon nanotubes composites

    International Nuclear Information System (INIS)

    Carbon nanotubes added to polymer and epoxy matrices are compounds of interest for applications in electronics and aerospace. The realization of high-performance devices based on these materials can profit from the investigation of their electric noise properties, as this gives a more detailed insight of the basic charge carriers transport mechanisms at work. The dc and electrical noise characteristics of different polymer/carbon nanotubes composites have been analyzed from 10 to 300 K. The results suggest that all these systems can be regarded as random resistive networks of tunnel junctions formed by adjacent carbon nanotubes. However, in the high-temperature regime, contributions deriving from other possible mechanisms cannot be separated using dc information alone. A transition from a fluctuation-induced tunneling process to a thermally activated regime is instead revealed by electric noise spectroscopy. In particular, a crossover is found from a two-level tunneling mechanism, operating at low temperatures, to resistance fluctuations of a percolative network, in the high-temperature region. The observed behavior of 1/f noise seems to be a general feature for highly conductive samples, independent on the type of polymer matrix and on the nanotube density

  16. Universal crossover of the charge carrier fluctuation mechanism in different polymer/carbon nanotubes composites

    Energy Technology Data Exchange (ETDEWEB)

    Barone, C., E-mail: cbarone@unisa.it; Mauro, C.; Pagano, S. [Dipartimento di Fisica “E.R. Caianiello” and CNR-SPIN Salerno, Università di Salerno, I-84084 Fisciano, Salerno (Italy); Landi, G.; Neitzert, H. C. [Dipartimento di Ingegneria Industriale, Università di Salerno, I-84084 Fisciano, Salerno (Italy)

    2015-10-05

    Carbon nanotubes added to polymer and epoxy matrices are compounds of interest for applications in electronics and aerospace. The realization of high-performance devices based on these materials can profit from the investigation of their electric noise properties, as this gives a more detailed insight of the basic charge carriers transport mechanisms at work. The dc and electrical noise characteristics of different polymer/carbon nanotubes composites have been analyzed from 10 to 300 K. The results suggest that all these systems can be regarded as random resistive networks of tunnel junctions formed by adjacent carbon nanotubes. However, in the high-temperature regime, contributions deriving from other possible mechanisms cannot be separated using dc information alone. A transition from a fluctuation-induced tunneling process to a thermally activated regime is instead revealed by electric noise spectroscopy. In particular, a crossover is found from a two-level tunneling mechanism, operating at low temperatures, to resistance fluctuations of a percolative network, in the high-temperature region. The observed behavior of 1/f noise seems to be a general feature for highly conductive samples, independent on the type of polymer matrix and on the nanotube density.

  17. Universal crossover of the charge carrier fluctuation mechanism in different polymer/carbon nanotubes composites

    Science.gov (United States)

    Barone, C.; Landi, G.; Mauro, C.; Neitzert, H. C.; Pagano, S.

    2015-10-01

    Carbon nanotubes added to polymer and epoxy matrices are compounds of interest for applications in electronics and aerospace. The realization of high-performance devices based on these materials can profit from the investigation of their electric noise properties, as this gives a more detailed insight of the basic charge carriers transport mechanisms at work. The dc and electrical noise characteristics of different polymer/carbon nanotubes composites have been analyzed from 10 to 300 K. The results suggest that all these systems can be regarded as random resistive networks of tunnel junctions formed by adjacent carbon nanotubes. However, in the high-temperature regime, contributions deriving from other possible mechanisms cannot be separated using dc information alone. A transition from a fluctuation-induced tunneling process to a thermally activated regime is instead revealed by electric noise spectroscopy. In particular, a crossover is found from a two-level tunneling mechanism, operating at low temperatures, to resistance fluctuations of a percolative network, in the high-temperature region. The observed behavior of 1/f noise seems to be a general feature for highly conductive samples, independent on the type of polymer matrix and on the nanotube density.

  18. Theoretical Study on Charge Transport Properties of Intra- and Extra-Ring Substituted Pentacene Derivatives.

    Science.gov (United States)

    Fan, Jian-Xun; Chen, Xian-Kai; Zhang, Shou-Feng; Ren, Ai-Min

    2016-04-21

    A series of pentacene derivatives, halogen-substituted and thiophene- and pyridine-substituted, have been studied with a focus on the electronic properties and charge transport properties using density functional theory and classical Marcus charge-transfer theory. The transport properties of holes and electrons have been studied to get insight into the effect of halogenation and heteroatom substitution on transport and injection of charge carriers. The calculation results revealed that fluorination and chlorination can effectively lower the lowest unoccupied molecular orbital (LUMO) level, modulate the hole and electron reorganization energy, improve the stacking mode of the crystal structure, and enhance the ambipolar characteristic. Chlorination gives a better ambipolar characteristic. On the basis of halogen substitution, the substitution of terminal benzene ring of triisopropyl-silylethynyl-pentacene (TIPS-PEN) by a thiophene or pyridine will greatly lower the LUMO level and improve the stacking mode, leading to more suitable ambipolar materials. Hence, both intra- and extra-ring substitution are favorable to enhance the ambipolar transport property of TIPS-PEN. PMID:27027319

  19. TRANSPORT MECHANISM STUDIES OF CHITOSAN ELECTROLYTE SYSTEMS

    International Nuclear Information System (INIS)

    ABSTRACT: Knowledge of ion-conduction mechanisms in polymers is important for designing better polymer electrolytes for electrochemical devices. In this work, chitosan-ethylene carbonate/propylene carbonate (chitosan-EC/PC) system with lithium acetate (LiCH3COO) and lithium triflate (LiCF3SO3) as salts were prepared and characterized using electrochemical impedance spectroscopy to study the ion-conduction mechanism. It was found that the electrolyte system using LiCF3SO3 salt had a higher ionic conductivity, greater dielectric constant and dielectric loss value compared to system using LiCH3COO at room temperature. Hence, it may be inferred that the system incorporated with LiCF3SO3 dissociated more readily than LiCH3COO. Conductivity mechanism for the systems, 42 wt.% chitosan- 28 wt.% LiCF3SO3-30 wt.% EC/PC (CLT) and 42 wt.% chitosan-28 wt.% LiCH3COO-30 wt.% EC/PC (CLA) follows the overlapping large polaron tunneling (OLPT) model. Results show that the nature of anion size influences the ionic conduction of chitosan based polymer electrolytes. The conductivity values of the CLA system are found to be higher than that of CLT system at higher temperatures. This may be due to the vibration of bigger triflate anions would have hindered the lithium ion movements. FTIR results show that lithium ions can form complexation with polymer host which would provide a platform for ion hopping

  20. Charge transport in organic multi-layer devices under electric and optical fields

    Science.gov (United States)

    Park, June Hyoung

    2007-12-01

    Charge transport in small organic molecules and conjugated conducting polymers under electric or optical fields is studied by using field effect transistors and photo-voltaic cells with multiple thin layers. With these devices, current under electric field, photo-current under optical field, and luminescence of optical materials are measured to characterize organic and polymeric materials. For electric transport studies, poly(3,4-ethylenedioxythiophene) doped by polystyrenesulfonic acid is used, which is conductive with conductivity of approximately 25 S/cm. Despite their high conductance, field effect transistors based on the films are successfully built and characterized by monitoring modulations of drain current by gate voltage and IV characteristic curves. Due to very thin insulating layers of poly(vinylphenol), the transistors are relative fast under small gate voltage variation although heavy ions are involved in charge transport. In IV characteristic curves, saturation effects can be observed. Analysis using conventional field effect transistor model indicates high mobility of charge carriers, 10 cm2/V·sec, which is not consistent with the mobility of the conducting polymer. It is proposed that the effect of a small density of ions injected via polymer dielectric upon application of gate voltage and the ion compensation of key hopping sites accounts for the operation of the field effect transistors. For the studies of transport under optical field, photovoltaic cells with 3 different dendrons, which are efficient to harvest photo-excited electrons, are used. These dendrons consist of two electron-donors (tetraphenylporphyrin) and one electron-accepter (naphthalenediimide). Steady-state fluorescence measurements show that inter-molecular interaction is dominant in solid dendron film, although intra-molecular interaction is still present. Intra-molecular interaction is suggested by different fluorescence lifetimes between solutions of donor and dendrons. This

  1. Charge Recombination, Transport Dynamics, and Interfacial Effects in Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Heeger, Alan; Bazan, Guillermo; Nguyen, Thuc-Quyen; Wudl, Fred

    2015-02-27

    The need for renewable sources of energy is well known. Conversion of sunlight to electricity using solar cells is one of the most important opportunities for creating renewable energy sources. The research carried out under DE-FG02-08ER46535 focused on the science and technology of “Plastic” solar cells comprised of organic (i.e. carbon based) semiconductors. The Bulk Heterojunction concept involves a phase separated blend of two organic semiconductors each with dimensions in the nano-meter length scale --- one a material that functions as a donor for electrons and the other a material that functions as an acceptor for electrons. The nano-scale inter-penetrating network concept for “Plastic” solar cells was created at UC Santa Barbara. A simple measure of the impact of this concept can be obtained from a Google search which gives 244,000 “hits” for the Bulk Heterojunction solar cell. Research funded through this program focused on four major areas: 1. Interfacial effects in organic photovoltaics, 2. Charge transfer and photogeneration of mobile charge carriers in organic photovoltaics, 3. Transport and recombination of the photogenerated charge carriers in organic photovoltaics, 4. Synthesis of novel organic semiconducting polymers and semiconducting small molecules, including conjugated polyelectrolytes. Following the discovery of ultrafast charge transfer at UC Santa Barbara in 1992, the nano-organic (Bulk Heterojunction) concept was formulated. The need for a morphology comprising two interpenetrating bicontinuous networks was clear: one network to carry the photogenerated electrons (negative charge) to the cathode and one network to carry the photo-generated holes (positive charge) to the anode. This remarkable self-assembled network morphology has now been established using Transmission electron Microscopy (TEM) either in the Phase Contrast mode or via TEM-Tomography. The steps involved in delivering power from a solar cell to an external circuit

  2. Classification of the ejection mechanisms of charged macromolecules from liquid droplets

    Science.gov (United States)

    Consta, Styliani; Malevanets, Anatoly

    2013-01-01

    The relation between the charge state of a macromolecule and its ejection mechanism from droplets is one of the important questions in electrospray ionization methods. In this article, effects of solvent-solute interaction on the manifestation of the charge induced instability in a droplet are examined. We studied the instabilities in a prototype system of a droplet comprised of charged poly(ethylene glycol) and methanol, acetonitrile, and water solvents. We observed instances of three, previously only conjectured, [S. Consta, J. Phys. Chem. B 114, 5263 (2010), 10.1021/jp912119v] mechanisms of macroion ejection. The mechanism of ejection of charged macroion in methanol is reminiscent of "pearl" model in polymer physics. In acetonitrile droplets, the instability manifests through formation of solvent spines around the solvated macroion. In water, we find that the macroion is ejected from the droplet through contiguous extrusion of a part of the chain. The difference in the morphology of the instabilities is attributed to the interplay between forces arising from the macroion solvation energy and the surface energy of the droplet interface. For the contiguous extrusion of a charged macromolecule from a droplet, we demonstrate that the proposed mechanism leads to ejection of the macromolecule from droplets with sizes well below the Rayleigh limit. The ejected macromolecule may hold charge significantly higher than that suggested by prevailing theories. The simulations reveal new mechanisms of macroion evaporation that differ from conventional charge residue model and ion evaporation mechanisms.

  3. Molecular mechanisms of water transport in the eye

    DEFF Research Database (Denmark)

    Hamann, Steffen; Hamann, Steffen Ellitsgaard

    2002-01-01

    general model for water transport in ocular epithelia. Some water-transporting membranes contain aquaporins, others do not. The ultrastructure is also variable among the cell layers and cannot be fitted into a general model. On the other hand, the direction of cotransport in symporters complies with the......The four major sites for ocular water transport, the corneal epithelium and endothelium, the ciliary epithelium, and the retinal pigment epithelium, are reviewed. The cornea has an inherent tendency to swell, which is counteracted by its two surface cell layers, the corneal epithelium and...... endothelium. The bilayered ciliary epithelium secretes the aqueous humor into the posterior chamber, and the retinal pigment epithelium transports water from the retinal to the choroidal site. For each epithelium, ion transport mechanisms are associated with fluid transport, but the exact molecular coupling...

  4. Anomalously augmented charge transport capabilities of biomimetically transformed collagen intercalated nano graphene based biocolloids

    CERN Document Server

    Dhar, Purbarun; Nayar, Suprabha; Das, Sarit K

    2015-01-01

    Collagen micro fibrils bio mimetically intercalate graphitic structures in aqueous media to form graphene nano platelets collagen complex (G Cl). Synthesized G Cl based stable, aqueous bio nanocolloids exhibit anomalously augmented charge transportation capabilities over simple collagen or graphene based colloids. The concentration tunable electrical transport properties of synthesized aqueous G Cl bio nanocolloids has been experimentally observed, theoretically analyzed and mathematically modeled. A comprehensive approach to mathematically predict the electrical transport properties of simple graphene and collagen based colloids has been presented. A theoretical formulation to explain the augmented transport characteristics of the G Cl bio nanocolloids based on the physico chemical interactions among the two entities, as revealed from extensive characterizations of the G Cl bio complex, has also been proposed. Physical interactions between the zwitterionic amino acid molecules within the collagen triple heli...

  5. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Christensen, Tue; Andersen, Kim Allan; Klose, Andreas

    2013-01-01

    This paper considers a minimum-cost network flow problem in a bipartite graph with a single sink. The transportation costs exhibit a staircase cost structure because such types of transportation cost functions are often found in practice. We present a dynamic programming algorithm for solving...... this so-called single-sink, fixed-charge, multiple-choice transportation problem exactly. The method exploits heuristics and lower bounds to peg binary variables, improve bounds on flow variables, and reduce the state-space variable. In this way, the dynamic programming method is able to solve large...... instances with up to 10,000 nodes and 10 different transportation modes in a few seconds, much less time than required by a widely used mixed-integer programming solver and other methods proposed in the literature for this problem....

  6. Long-range charge transport in single G-quadruplex DNA molecules

    Science.gov (United States)

    Livshits, Gideon I.; Stern, Avigail; Rotem, Dvir; Borovok, Natalia; Eidelshtein, Gennady; Migliore, Agostino; Penzo, Erika; Wind, Shalom J.; di Felice, Rosa; Skourtis, Spiros S.; Cuevas, Juan Carlos; Gurevich, Leonid; Kotlyar, Alexander B.; Porath, Danny

    2014-12-01

    DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to differences in the measured molecules and experimental set-ups, and transporting significant current through individual DNA-based molecules remains a considerable challenge. Here, we report reproducible charge transport in guanine-quadruplex (G4) DNA molecules adsorbed on a mica substrate. Currents ranging from tens of picoamperes to more than 100 pA were measured in the G4-DNA over distances ranging from tens of nanometres to more than 100 nm. Our experimental results, combined with theoretical modelling, suggest that transport occurs via a thermally activated long-range hopping between multi-tetrad segments of DNA. These results could re-ignite interest in DNA-based wires and devices, and in the use of such systems in the development of programmable circuits.

  7. Long-range charge transport in single G-quadruplex DNA molecules

    DEFF Research Database (Denmark)

    Livshits, Gideon I.; Stern, Avigail; Rotem, Dvir;

    2014-01-01

    transporting significant current through individual DNA-based molecules remains a considerable challenge. Here, we report reproducible charge transport in guanine-quadruplex (G4) DNA molecules adsorbed on a mica substrate. Currents ranging from tens of picoamperes to more than 100 pA were measured in the G4......DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to differences in the measured molecules and experimental set-ups, and......-DNA over distances ranging from tens of nanometres to more than 100 nm. Our experimental results, combined with theoretical modelling, suggest that transport occurs via a thermally activated long-range hopping between multi-tetrad segments of DNA. These results could re-ignite interest in DNA...

  8. TRANSPORT: a computer program for designing charged particle beam transport systems

    International Nuclear Information System (INIS)

    TRANSPORT is a first- and second-order matrix multiplication computer program intended for the design of static-magnetic beam transport systems. It has been in existence in various evolutionary versions since 1963. The present version, described in the manual given, includes both first- and second-order fitting capabilities. TRANSPORT will step through the beam line, element by element, calculating the properties of the beam or other quantities, described below, where requested. Therefore one of the first elements is a specification of the phase space region occupied by the beam entering the system. Magnets and intervening spaces and other elements then follow in the sequence in which they occur in the beam line. Specifications of calculations to be done or of configurations other than normal are placed in the same sequence, at the point where their effect is to be made

  9. TRANSPORT: a computer program for designing charged particle beam transport systems

    Energy Technology Data Exchange (ETDEWEB)

    Brown, K.L.; Rothacker, F.; Carey, D.C.; Iselin, C.

    1977-05-01

    TRANSPORT is a first- and second-order matrix multiplication computer program intended for the design of static-magnetic beam transport systems. It has been in existence in various evolutionary versions since 1963. The present version, described in the manual given, includes both first- and second-order fitting capabilities. TRANSPORT will step through the beam line, element by element, calculating the properties of the beam or other quantities, described below, where requested. Therefore one of the first elements is a specification of the phase space region occupied by the beam entering the system. Magnets and intervening spaces and other elements then follow in the sequence in which they occur in the beam line. Specifications of calculations to be done or of configurations other than normal are placed in the same sequence, at the point where their effect is to be made.

  10. The alternating access mechanism of transport as observed in the sodium-hydantoin transporter Mhp1

    International Nuclear Information System (INIS)

    Crystal structures of a membrane protein transporter in three different conformational states provide insights into the transport mechanism. Secondary active transporters move molecules across cell membranes by coupling this process to the energetically favourable downhill movement of ions or protons along an electrochemical gradient. They function by the alternating access model of transport in which, through conformational changes, the substrate binding site alternately faces either side of the membrane. Owing to the difficulties in obtaining the crystal structure of a single transporter in different conformational states, relatively little structural information is known to explain how this process occurs. Here, the structure of the sodium-benzylhydantoin transporter, Mhp1, from Microbacterium liquefaciens, has been determined in three conformational states; from this a mechanism is proposed for switching from the outward-facing open conformation through an occluded structure to the inward-facing open state

  11. Charge Transport in 1-D Nanostructured CdS Dye Sensitized Solar Cell

    International Nuclear Information System (INIS)

    Charge transport in eosin yellow sensitized CdS 1-D nanostructures is studied. Direct conduction pathway for electron transport in nanowires enhances Voc in CdS nanowires compared to nanorods and nanoparticles. J-V characterization of nanowires results in improved efficiency of 0.184% due to fewer interparticle connections. Increase in Jsc is observed by coating CdS 1-D nanostructures on TiO2 substrate which reduces rate of recombination and photocorrosive nature of CdS photoanodes. Enhancement in efficiency up to 0.501% is achieved for CdS 1-D nanostructures DSSCs on TiO2 substrate.

  12. Coulombic interactions and multicomponent ionic dispersion during transport of charged species in heterogeneous porous media

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    Electrochemical cross-coupling plays a significant role for transport of charged species in porous media [1, 2]. In this study we performed flow-through experiments in a quasi two-dimensional setup using dilute solutions of strong electrolytes to study the influence of charge interactions on mass...... transfer of ionic species in saturated porous media. The experiments were carried out under advection-dominated conditions (seepage velocity: 1 and 1.5 m/day) in two well-defined heterogeneous domains where flow diverging around a low-permeability inclusion and flow focusing in high-permeability zones...... multicomponent transport simulations were compared with the high-resolution (5 mm spacing) concentration measurements of the ionic species at the outlet of the flow-through domain. The excellent agreement between the measured concentrations and the results of purely forward numerical simulations demonstrates the...

  13. PATH: a lumped-element beam-transport simulation program with space charge

    International Nuclear Information System (INIS)

    PATH is a group of computer programs for simulating charged-particle beam-transport systems. It was developed for evaluating the effects of some aberrations without a time-consuming integration of trajectories through the system. The beam-transport portion of PATH is derived from the well-known program, DECAY TURTLE. PATH contains all features available in DECAY TURTLE (including the input format) plus additional features such as a more flexible random-ray generator, longitudinal phase space, some additional beamline elements, and space-charge routines. One of the programs also provides a simulation of an Alvarez linear accelerator. The programs, originally written for a CDC 7600 computer system, also are available on a VAX-VMS system. All of the programs are interactive with input prompting for ease of use

  14. Indications of c-axis Charge Transport in Hole Doped Triangular Antiferromagnets

    Institute of Scientific and Technical Information of China (English)

    LIANG Ying; LIU Bin; FENG Shi-Ping

    2004-01-01

    The c-axis charge transport of the hole doped triangular antiferromagnet is investigated within the tJ model by considering the incoherent interlayer hopping.It is shown that the c-axis charge transport of the hole doped triangular antiferromagnet is essentially determined by the scattering from the in-plane fluctuation.The c-axis conductivity spectrum shows a lov-energy peak and the unusual high-energy broad band,while the c-axis resistivity is characterized by a crossover from the high temperature metallic-like behavior to the Iow temperature insulating-like behavior,which is qualitatively consistent with those of the hole doped square lattice antiferromagnet.

  15. Spin and charge transport in the presence of spin-orbit interaction

    Indian Academy of Sciences (India)

    T P Pareek; P Bruno

    2002-02-01

    We present the study of spin and charge transport in nanostructures in the presence of spin-orbit (SO) interaction. Single band tight binding Hamiltonians for Elliot–Yafet and Rashba SO interaction are derived. Using these tight binding Hamiltonians and spin resolved Landauer–Büttiker formula, spin and charge transport is studied. Specifically numerical results are presented for a new method to perform magnetic scanning tunneling microscopy with non-magnetic tip but in the presence of Elliot–Yafet SO interaction. The spin relaxation phenomena in two-dimensional electron gas in the presence of Rashba SO interaction are studied and contrary to naive expectation, it is shown that disorder helps to reduce spin relaxation.

  16. Enhancement of charge-transport characteristics in polymeric films using polymer brushes

    DEFF Research Database (Denmark)

    Whiting, G.L.; Snaith, H.J.; Khodabakhsh, S.;

    2006-01-01

    We show that charge-transporting polymer chains in the brush conformation can be synthesized from a variety of substrates of interest, displaying a high degree of stretching and showing up to a 3 orders of magnitude increase in current density normal to the substrate as compared with a spin-coate......-coated film. These nanostructured polymeric films may prove to be suitable for electronic devices based on molecular semiconductors as current fabrication techniques often provide little control over film structure....

  17. Analysis of some greedy algorithms for the single-sink fixed-charge transportation problem

    DEFF Research Database (Denmark)

    Görtz, Simon; Klose, Andreas

    2009-01-01

    -charge transportation problem. Nevertheless, just a few methods for solving this problem have been proposed in the literature. In this paper, some greedy heuristic solutions methods for the SSFCTP are investigated. It is shown that two greedy approaches for the SSFCTP known from the literature can be arbitrarily bad......, whereas an approximation algorithm proposed in the literature for the binary min-knapsack problem has a guaranteed worst case bound if adapted accordingly to the case of the SSFCTP....

  18. Charge transport on microscopic and macroscopic scale in molecular materials doped with photochromic species

    Czech Academy of Sciences Publication Activity Database

    Sworakowski, J.; Nešpůrek, Stanislav

    Poznan : Adam Mickiewicz University, Faculty of Chemistry, 2003. s. L10. [International Conference on the Formation of Semiconductor Interfaces /9./. 23.06.2003-28.06.2003, Srem] R&D Projects: GA MŠk OC D14.30 Grant ostatní: Polish Committee for Scientific Research(PL) T09A 132 22 Institutional research plan: CEZ:AV0Z4050913 Keywords : charge transport * molecular materials * poly[methyl-(phenyl)silylene] Subject RIV: BM - Solid Matter Physics ; Magnetism

  19. Charge Transport and Electrical Properties of Spin Crossover Materials: Towards Nanoelectronic and Spintronic Devices

    OpenAIRE

    Constantin LEFTER; Davesne, Vincent; Salmon, Lionel; Molnar, Gabor; Demont, Philippe; Rotaru, Aurelian; Bousseksou, Azzedine

    2016-01-01

    International audience In this paper, we present a comprehensive review of research on electrical and charge transport properties of spin crossover complexes. This includes both the effect of spin-state switching on the dielectric permittivity and electrical conductivity of the material and vice versa the influence of an applied electrical field (or current) on the spin-state of the system. The survey covers different size scales from bulk materials and thin films to nanoparticles and sing...

  20. Single-charge transport in ambipolar silicon nanoscale field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, Filipp; Konstantaras, Georgios; Wiel, Wilfred G. van der; Zwanenburg, Floris A., E-mail: f.a.zwanenburg@utwente.nl [NanoElectronics Group, MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2015-04-27

    We report single-charge transport in ambipolar nanoscale MOSFETs, electrostatically defined in near-intrinsic silicon. We use the ambipolarity to demonstrate the confinement of either a few electrons or a few holes in exactly the same crystalline environment underneath a gate electrode. We find similar electron and hole quantum dot properties while the mobilities differ quantitatively like in microscale devices. The understanding and control of individual electrons and holes are essential for spin-based quantum information processing.

  1. Relationship between defect density and charge carrier transport in amorphous and microcrystalline silicon

    OpenAIRE

    Astakhov, O.; Carius, R.; F. Finger; Petrusenko, Y.; Borysenko, V.; Barankov, D.

    2009-01-01

    The influence of dangling-bond defects and the position of the Fermi level on the charge carrier transport properties in undoped and phosphorous doped thin-film silicon with structure compositions all the way from highly crystalline to amorphous is investigated. The dangling-bond density is varied reproducibly over several orders of magnitude by electron bombardment and subsequent annealing. The defects are investigated by electron-spin-resonance and photoconductivity spectroscopies. Comparin...

  2. Numerical Study on the Charge Transport in a Space between Concentric Circular Cylinders

    OpenAIRE

    Suh, Y. K.; Baek, K H

    2014-01-01

    Electrification is one of the key factors to be considered in the design of power transformers utilizing dielectric liquid as a coolant. Compared with enormous quantity of experimental and analytical studies on electrification, numerical simulations are very few. This paper describes essential elements of numerical solution methods for the charge transport equations in a space between concentric cylinders. It is found that maintaining the conservation property of the convective terms in the g...

  3. Adomian decomposition method for solving the telegraph equation in charged particle transport

    International Nuclear Information System (INIS)

    In this paper, the analysis for the telegraph equation in case of isotropic small angle scattering from the Boltzmann transport equation for charged particle is presented. The Adomian decomposition is used to solve the telegraph equation. By means of MAPLE the Adomian polynomials of obtained series (ADM) solution have been calculated. The behaviour of the distribution function are shown graphically. The results reported in this article provide further evidence of the usefulness of Adomain decomposition for obtaining solution of linear and nonlinear problems

  4. Oxidation by DNA Charge Transport Damages Conserved Sequence Block II, a Regulatory Element in Mitochondrial DNA

    OpenAIRE

    Merino, Edward J.; Barton, Jacqueline K.

    2007-01-01

    Sites of oxidative damage in mitochondrial DNA have been identified on the basis of DNA-mediated charge transport. Our goal is to understand which sites in mitochondrial DNA are prone to oxidation at long range and whether such oxidative damage correlates with cancerous transformation. Here we show that a primer extension reaction can be used to monitor directly oxidative damage to authentic mitochondrial DNA through photoreactions with a rhodium intercalator. The complex [Rh(phi)_2bpy]Cl_3 (...

  5. Humidity Dependence of Charge Transport through DNA Revealed by Silicon-Based Nanotweezers Manipulation

    OpenAIRE

    Yamahata, Christophe; Collard, Dominique; Takekawa, Tetsuya; Kumemura, Momoko; Hashiguchi, Gen; Fujita, Hiroyuki

    2007-01-01

    The study of the electrical properties of DNA has aroused increasing interest since the last decade. So far, controversial arguments have been put forward to explain the electrical charge transport through DNA. Our experiments on DNA bundles manipulated with silicon-based actuated tweezers demonstrate undoubtedly that humidity is the main factor affecting the electrical conduction in DNA. We explain the quasi-Ohmic behavior of DNA and the exponential dependence of its conductivity with relati...

  6. A Multiplexed, Two-Electrode Platform for Biosensing based on DNA-Mediated Charge Transport

    OpenAIRE

    Furst, Ariel L.; Hill, Michael G.; Barton, Jacqueline K.

    2015-01-01

    We have developed a thin layer, multiplexed biosensing platform that features two working-electrode arrays for detecting small molecules, nucleic acid sequences, and DNA-binding proteins. DNA duplexes are patterned onto the primary electrode array, while a secondary electrode array is used both to initiate DNA monolayer formation and for electrochemical readout via DNA-mediated charge transport (DNA CT) chemistry. Electrochemical reduction of Cu(phendione)_2^(2+) (phendione is 1,10-phenanthro...

  7. Mechanical Erosion in a Tropical River Basin in Southeastern Brazil: Chemical Characteristics and Annual Fluvial Transport Mechanisms

    Directory of Open Access Journals (Sweden)

    Alexandre Martins Fernandes

    2012-01-01

    Full Text Available This study aims to evaluate the mechanical erosion processes that occur in a tropical river basin, located in the São Paulo state, southeastern Brazil, through the chemical characterization of fine suspended sediments and the transport mechanisms near the river mouth, from March 2009 to September 2010. The chemical characterization indicated the predominance of SiO2, Al2O3, and Fe2O3 and showed no significant seasonal influences on the major element concentrations, expressed as oxides. The concentration variations observed were related to the mobility of chemical species. The evaluation of the rock-alteration degree indicated that the physical weathering was intense in the drainage basin. The fine suspended sediments charge was influenced by the variation discharges throughout the study period. The solid charge estimate of the surface runoff discharge was four times higher in the rainy season than the dry season. The transport of fine suspended sediments at the Sorocaba River mouth was 55.70 t km−2 a−1, corresponding to a specific physical degradation of 37.88 m Ma−1, a value associated with the mechanical erosion rate that corresponds to the soil thickness reduction in the drainage basin.

  8. Impact of metal electrode on charge transport behavior of metal-Gd{sub 2}O{sub 3} systems

    Energy Technology Data Exchange (ETDEWEB)

    Wasiq, M.F., E-mail: wasiq77@yahoo.com [Department of Physics, BahauddinZakariya University, Multan 60800 (Pakistan); Nadeem, M.Y. [Department of Physics, BahauddinZakariya University, Multan 60800 (Pakistan); Mahmood, Khalid [Department of Physics, GC University Faisalabad, 68000 (Pakistan); Warsi, Muhammad Farooq [Department of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Khan, Muhammad Azhar, E-mail: azhar.khan@iub.edu.pk [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan)

    2015-11-05

    In this paper, we have grown an 80 nm thick Gd{sub 2}O{sub 3} thin film by electron beam evaporation on glass substrate and fabricated different metal (Al, Cu, Cr and Au) electrodes on grown sample under same condition. To investigate the charge transport mechanism in these metal-semiconductor systems, the electrical conductivities and current–voltage (I–V) measurements have been measured over temperature range of 250–400 K. We have found that Mott variable range hopping (VRH) is responsible for conduction behavior in all systems for entire temperature range. A strong correlation between transport properties and metal work function has been observed. A space charge model successfully explained the decreasing trend of conductivity with increasing the metal work function. The conductivity decreased from 2.9 × 10{sup −5} to 1.8 × 10{sup −11} S/cm as the metal work function increased from 4 to 5.1 eV for Al to Au metals respectively. The ideality factor also increased from 1.67 to 2.2 with metal work function from Al to Au metal. The observed result can be explained as; high work function metal forms higher depletion layer as compared to metal having low work function, which compensate the empty sites available for hopping and consequently decreased the hopping conductivity. - Graphical abstract: Different metal electrodes (Al, Cu, Cr and Au) were fabricated on 80 nm Gd{sub 2}O{sub 3} thin film by electron beam evaporation and found that Mott VRH is responsible for conduction behavior in all systems for entire temperature range. We also observed a strong correlation between transport properties and metal work function has been observed. - Highlights: • Charge transport mechanism in metal-Gd{sub 2}O{sub 3}-metal systems in the temperature range 290–380 K. • Al, Cu, Cr and Au metal electrodes were fabricated on 80 nm Gd{sub 2}O{sub 3} thin film by E.B evaporation. • Mott VRH is responsible for conduction behavior in all systems for entire temperature

  9. Design study of low-energy beam transport for multi-charge beams at RAON

    Science.gov (United States)

    Bahng, Jungbae; Qiang, Ji; Kim, Eun-San

    2015-12-01

    The Rare isotope Accelerator Of Newness (RAON) at the Rare Isotope Science Project (RISP) is being designed to simultaneously accelerate beams with multiple charge states. It includes a driver superconducting (SC) linac for producing 200 MeV/u and 400 kW continuous wave (CW) heavy ion beams from protons to uranium. The RAON consists of a few electron cyclotron resonance ion sources, a low-energy beam transport (LEBT) system, a CW 81.25 MHz, 500 keV/u radio frequency quadrupole (RFQ) accelerator, a medium-energy beam transport system, the SC linac, and a charge-stripper system. The LEBT system for the RISP accelerator facility consists of a high-voltage platform, two 90° dipoles, a multi-harmonic buncher (MHB), solenoids, electrostatic quadrupoles, a velocity equalizer, and a diagnostic system. The ECR ion sources are located on a high-voltage platform to reach an initial beam energy of 10 keV/u. After extraction, the ion beam is transported through the LEBT system to the RFQ accelerator. The generated charge states are selected by an achromatic bending system and then bunched by the MHB in the LEBT system. The MHB is used to achieve a small longitudinal emittance in the RFQ by generating a sawtooth wave with three harmonics. In this paper, we present the results and issues of the beam dynamics of the LEBT system.

  10. Bi(1)-(x)Sb(x) alloy nanocrystals: colloidal synthesis, charge transport, and thermoelectric properties.

    Science.gov (United States)

    Zhang, Hao; Son, Jae Sung; Jang, Jaeyoung; Lee, Jong-Soo; Ong, Wee-Liat; Malen, Jonathan A; Talapin, Dmitri V

    2013-11-26

    Nanostructured Bi1-xSbx alloys constitute a convenient system to study charge transport in a nanostructured narrow-gap semiconductor with promising thermoelectric properties. In this work, we developed the colloidal synthesis of monodisperse sub-10 nm Bi1-xSbx alloy nanocrystals (NCs) with controllable size and compositions. The surface chemistry of Bi1-xSbx NCs was tailored with inorganic ligands to improve the interparticle charge transport as well as to control the carrier concentration. Temperature-dependent (10-300 K) electrical measurements were performed on the Bi1-xSbx NC based pellets to investigate the effect of surface chemistry and grain size (∼10-40 nm) on their charge transport properties. The Hall effect measurements revealed that the temperature dependence of carrier mobility and concentration strongly depended on the grain size and the surface chemistry, which was different from the reported bulk behavior. At low temperatures, electron mobility in nanostructured Bi1-xSbx was directly proportional to the average grain size, while the concentration of free carriers was inversely proportional to the grain size. We propose a model explaining such behavior. Preliminary measurements of thermoelectric properties showed a ZT value comparable to those of bulk Bi1-xSbx alloys at 300 K, suggesting a potential of Bi1-xSbx NCs for low-temperature thermoelectric applications. PMID:24134215

  11. A charge carrier transport model for donor-acceptor blend layers

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Janine, E-mail: janine.fischer@iapp.de; Widmer, Johannes; Koerner, Christian; Vandewal, Koen; Leo, Karl, E-mail: leo@iapp.de [Institut für Angewandte Photophysik, Technische Universität Dresden, 01062 Dresden (Germany); Kleemann, Hans [Novaled GmbH, Dresden (Germany); Tress, Wolfgang, E-mail: leo@iapp.de [Institut für Angewandte Photophysik, Technische Universität Dresden, 01062 Dresden (Germany); Laboratoire de Photonique et Interfaces, École polytechnique fédérale de Lausanne, 1015 Lausanne (Switzerland); Riede, Moritz [Institut für Angewandte Photophysik, Technische Universität Dresden, 01062 Dresden (Germany); Physics Department, University of Oxford, Oxford OX1 3PU (United Kingdom)

    2015-01-28

    Highly efficient organic solar cells typically comprise donor-acceptor blend layers facilitating effective splitting of excitons. However, the charge carrier mobility in the blends can be substantially smaller than in neat materials, hampering the device performance. Currently, available mobility models do not describe the transport in blend layers entirely. Here, we investigate hole transport in a model blend system consisting of the small molecule donor zinc phthalocyanine (ZnPc) and the acceptor fullerene C{sub 60} in different mixing ratios. The blend layer is sandwiched between p-doped organic injection layers, which prevent minority charge carrier injection and enable exploiting diffusion currents for the characterization of exponential tail states from a thickness variation of the blend layer using numerical drift-diffusion simulations. Trap-assisted recombination must be considered to correctly model the conductivity behavior of the devices, which are influenced by local electron currents in the active layer, even though the active layer is sandwiched in between p-doped contacts. We find that the density of deep tail states is largest in the devices with 1:1 mixing ratio (E{sub t} = 0.14 eV, N{sub t} = 1.2 × 10{sup 18 }cm{sup −3}) directing towards lattice disorder as the transport limiting process. A combined field and charge carrier density dependent mobility model are developed for this blend layer.

  12. A charge carrier transport model for donor-acceptor blend layers

    International Nuclear Information System (INIS)

    Highly efficient organic solar cells typically comprise donor-acceptor blend layers facilitating effective splitting of excitons. However, the charge carrier mobility in the blends can be substantially smaller than in neat materials, hampering the device performance. Currently, available mobility models do not describe the transport in blend layers entirely. Here, we investigate hole transport in a model blend system consisting of the small molecule donor zinc phthalocyanine (ZnPc) and the acceptor fullerene C60 in different mixing ratios. The blend layer is sandwiched between p-doped organic injection layers, which prevent minority charge carrier injection and enable exploiting diffusion currents for the characterization of exponential tail states from a thickness variation of the blend layer using numerical drift-diffusion simulations. Trap-assisted recombination must be considered to correctly model the conductivity behavior of the devices, which are influenced by local electron currents in the active layer, even though the active layer is sandwiched in between p-doped contacts. We find that the density of deep tail states is largest in the devices with 1:1 mixing ratio (Et = 0.14 eV, Nt = 1.2 × 1018 cm−3) directing towards lattice disorder as the transport limiting process. A combined field and charge carrier density dependent mobility model are developed for this blend layer

  13. Effect of hydrogen charging on the mechanical properties of medium strength aluminium alloys 2091 and 2014

    DEFF Research Database (Denmark)

    Bandopadhyay, A.; Ambat, Rajan; Dwarakadasa, E.S.

    1992-01-01

    Cathodic hydrogen charging in 3.5% NaCl solution altered the mechanical properties of 2091-T351 (Al-Cu-Li-Mg-Zr) determined by a slow (10(-3)/s) strain rate tensile testing technique. UTS and YS decreased in the caw of 2091-T351 and 2014-T6(Al-Cu-Mn-Si-Mg) with increase in charging current density....... Elongation showed a decrease with increase in charging current density for both the alloys. However, elongation occurring throughout the gauge length in uncharged specimens changed over to localized deformation, thus increasing the reduction in area in charged specimens. A transition in fracture mode from...

  14. Topological effects of charge transfer in telomere G-quadruplex: Mechanism on telomerase activation and inhibition

    CERN Document Server

    Wang, Xin

    2015-01-01

    We explore charge transfer in the telomere G-Quadruplex (TG4) DNA theoretically by the nonequilibrium Green's function method, and reveal the topological effect of charge transport in TG4 DNA. The consecutive TG4(CTG4) is semiconducting with 0.2 ~ 0.3eV energy gap. Charges transfers favorably in the consecutive TG4, but are trapped in the non-consecutive TG4 (NCTG4). The global conductance is inversely proportional to the local conductance for NCTG4. The topological structure transition from NCTG4 to CTG4 induces abruptly ~ 3nA charge current, which provide a microscopic clue to understand the telomerase activated or inhibited by TG4. Our findings reveal the fundamental property of charge transfer in TG4 and its relationship with the topological structure of TG4.

  15. Topological Effects of Charge Transfer in Telomere G-Quadruplex Mechanism on Telomerase Activation and Inhibition

    Science.gov (United States)

    Wang, Xin; Liang, Shi-Dong

    2013-02-01

    We explore the charge transfer in the telomere G-Quadruplex (TG4) DNA theoretically by the nonequilibrium Green's function method, and reveal the topological effect of the charge transport in TG4 DNA. The consecutive TG4 (CTG4) is semiconducting with 0.2 0.3 eV energy gap. Charges transfer favorably in the CTG4, but are trapped in the nonconsecutive TG4 (NCTG4). The global conductance is inversely proportional to the local conductance for NCTG4. The topological structure transition from NCTG4 to CTG4 induces abruptly 3nA charge current, which provide a microscopic clue to understand the telomerase activated or inhibited by TG4. Our findings reveal the fundamental property of charge transfer in TG4 and its relationship with the topological structure of TG4.

  16. Charge dependence of neoclassical and turbulent transport of light impurities on MAST

    Science.gov (United States)

    Henderson, S. S.; Garzotti, L.; Casson, F. J.; Dickinson, D.; O'Mullane, M.; Patel, A.; Roach, C. M.; Summers, H. P.; Tanabe, H.; Valovič, M.; the MAST Team

    2015-09-01

    Carbon and nitrogen impurity transport coefficients are determined from gas puff experiments carried out during repeat L-mode discharges on the Mega-Amp Spherical Tokamak (MAST) and compared against a previous analysis of helium impurity transport on MAST. The impurity density profiles are measured on the low-field side of the plasma, therefore this paper focuses on light impurities where the impact of poloidal asymmetries on impurity transport is predicted to be negligible. A weak screening of carbon and nitrogen is found in the plasma core, whereas the helium density profile is peaked over the entire plasma radius. Both carbon and nitrogen experience a diffusivity of the order of 10 m2s-1 and a strong inward convective velocity of ˜40 m s-1 near the plasma edge, and a region of outward convective velocity at mid-radius. The measured impurity transport coefficients are consistent with neoclassical Banana-Plateau predictions within ρ ≤slant 0.4 . Quasi-linear gyrokinetic predictions of the carbon and helium particle flux at two flux surfaces, ρ =0.6 and ρ =0.7 , suggest that trapped electron modes are responsible for the anomalous impurity transport observed in the outer regions of the plasma. The model, combining neoclassical transport with quasi-linear turbulence, is shown to provide reasonable estimates of the impurity transport coefficients and the impurity charge dependence.

  17. Effect of base-pair inhomogeneities on charge transport along the DNA molecule, mediated by twist and radial polarons

    International Nuclear Information System (INIS)

    Some recent results for a three-dimensional, semi-classical, tight-binding model for DNA show that there are two types of polarons, namely radial and twist polarons, which can transport charge along the DNA molecule. However, the existence of two types of base pairs in real DNA makes it crucial to find out if charge transport also exists in DNA chains with different base pairs. In this paper, we address this problem in its simple case, a homogeneous chain except for a single different base pair, which we call a base-pair inhomogeneity, and its effect on charge transport. Radial polarons experience either reflection or trapping. However, twist polarons are good candidates for charge transport along real DNA. This transport is also very robust with respect to weak parametric and diagonal disorder

  18. Charge Transfer Characteristics and Initiation Mechanisms of Long Delayed Sprites

    Science.gov (United States)

    Li, J.; Cummer, S. A.; Lyons, W. A.; Nelson, T. E.

    2007-12-01

    Simultaneous measurements of high altitude optical emissions and the magnetic field produced by sprite-associated lightning discharges enable a close examination of the link between low altitude lightning process and high altitude sprite process. In this work, we report results of the coordinated analysis of high speed (1000--10000 frames per second) sprite video and wideband (0.1 Hz to 30 kHz) magnetic field measurements made simultaneously at the Yucca Ridge Field Station and Duke University during the June through August 2005 campaign period. During the observation period, the high speed camera detected 83 sprite events in 67 TLE sequences, which are caused by the same number of +CGs. 46% of these sprite events are delayed more than 10 ms after the lightning return stroke. With the estimated lightning source current moment waveform, we computed the continuing current amplitude and total charge transfer characteristics of the long delayed sprites (>10 ms delay). Our calculation shows the total charge moment change of the long delayed sprites can vary from several hundred C km to more than ten thousand C km. All the long delayed sprites are related with intense continuing current bigger than 2 kA. This continuing current provides about 50% to 90% of the total charge transfer. However, a bigger continuing current does not necessarily mean a shorter time delay. This indicates that other processes also involved in the sprite initiation for long delayed sprites. In our observations, the sferic burst, a high frequency noise caused by intra-cloud activity, is always accompanied by a slow intensification in the lightning source current before the time of sprite initiation. Thus we used the lightning source current as an input and employed a 2-D FDTD model to numerically simulate the electric field at different altitudes and compare it with the breakdown field. Including the effect of the electron mobility dependence on electric field, the simulation results showed that

  19. Design of the low energy beam transport line between CARIBU and the EBIS charge breeder

    International Nuclear Information System (INIS)

    An Electron Beam Ion Source Charge Breeder (EBIS-CB) has been developed to breed radioactive beams from the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) facility at ATLAS. The EBIS-CB will replace the existing ECR charge breeder to increase the intensity and improve the purity of reaccelerated radioactive ion beams. The EBIS-CB is in the final stage of off-line commissioning. Currently, we are developing a low energy beam transport (LEBT) system to transfer CARIBU beams to the EBIS-CB. As was originally planned, an RFQ cooler-buncher will precede the EBIS-CB. Recently, it was decided to include a multi-reflection time-of-flight (MR-TOF) mass-spectrometer following the RFQ. MR-TOF is a relatively new technology used to purify beams with a mass-resolving power up to 3×105 as was demonstrated in experiments at CERN/ISOLDE. Very high purity singly-charged radioactive ion beams will be injected into the EBIS for charge breeding and due to its inherent properties, the EBIS-CB will maintain the purity of the charge bred beams. Possible contamination of residual gas ions will be greatly suppressed by achieving ultra-high vacuum in the EBIS trap. This paper will present and discuss the design of the LEBT and the overall integration of the EBIS-CB into ATLAS

  20. Growing discharge trees with self-consistent charge transport: the collective dynamics of streamers

    International Nuclear Information System (INIS)

    We introduce the generic structure of a growth model for branched discharge trees that consistently combines a finite channel conductivity with the physical law of charge conservation. It is applicable, e.g., to streamer coronas near tip or wire electrodes and ahead of lightning leaders, to leaders themselves and to the complex breakdown structures of sprite discharges high above thunderclouds. Then we implement and solve the simplest model for positive streamers in ambient air with self-consistent charge transport. We demonstrate that charge conservation contradicts the common assumption of dielectric breakdown models that the electric fields inside all streamers are equal to the so-called stability field and we even find cases of local field inversion. We also find that, counter-intuitively, the inner branches of a positive-streamer tree are negatively charged, which provides a natural explanation for the observed reconnections of streamers in laboratory experiments and in sprites. Our simulations show the structure of an overall ‘streamer of streamers’ that we name collective streamer front, and predict effective streamer branching angles, the charge structure within streamer trees and streamer reconnection. (paper)

  1. Trap-Assisted Transport and Non-Uniform Charge Distribution in Sulfur-Rich PbS Colloidal Quantum Dot-based Solar Cells with Selective Contacts.

    Science.gov (United States)

    Malgras, Victor; Zhang, Guanran; Nattestad, Andrew; Clarke, Tracey M; Mozer, Attila J; Yamauchi, Yusuke; Kim, Jung Ho

    2015-12-01

    This study reports evidence of dispersive transport in planar PbS colloidal quantum dot heterojunction-based devices as well as the effect of incorporating a MoO3 hole selective layer on the charge extraction behavior. Steady state and transient characterization techniques are employed to determine the complex recombination processes involved in such devices. The addition of a selective contact drastically improves the device efficiency up to 3.15% (especially due to increased photocurrent and decreased series resistance) and extends the overall charge lifetime by suppressing the main first-order recombination pathway observed in device without MoO3. The lifetime and mobility calculated for our sulfur-rich PbS-based devices are similar to previously reported values in lead-rich quantum dots-based solar cells. Nevertheless, strong Shockley-Read-Hall mechanisms appear to keep restricting charge transport, as the equilibrium voltage takes more than 1 ms to be established. PMID:26541422

  2. Transport mechanisms in nanopores and nanochannels: can we mimic nature?

    Directory of Open Access Journals (Sweden)

    Mario Tagliazucchi

    2015-04-01

    Full Text Available The last few years have witnessed major advancements in the synthesis, modification, characterization and modeling of nanometer-size solid-state channels and pores. Future applications in sensing, energy conversion and purification technologies will critically rely on qualitative improvements in the control over the selectivity, directionality and responsiveness of these nanochannels and nanopores. It is not surprising, therefore, that researchers in the field seek inspiration in biological ion channels and ion pumps, paradigmatic examples of transport selectivity. This work reviews our current fundamental understanding of the mechanisms of transport of ions and larger cargoes through nanopores and nanochannels by examining recent experimental and theoretical work. It is argued that that structure and transport in biological channels and polyelectrolyte-modified synthetic nanopores are strongly coupled: the structure dictates transport and transport affects the structure. We compare synthetic and biological systems throughout this review to conclude that while they present interesting similarities, they also have striking differences.

  3. Suppression of space-charge effects in transport through an RFQ using an annular beam

    International Nuclear Information System (INIS)

    High intensity proton linacs (HIPLs) have severe space-charge issues that can lead to emittance blow-up and the production of beam halos, both of which lead to limitations in the operable beam current. Hollow or annular beams are known to have a small spacecharge force (for a given current). Here we present preliminary studies on the production of such annular beams in the Low Energy Beam Transport (LEBT) line, and the subsequent transport of such a beam through a Radio- Frequency Quadrupole (RFQ). We show, using three-dimensional particle-in-cell simulations, that such an annular beam experiences a smaller emittance blow-up as well as reduced beam halo. Starting with an nns normalized emittance of 0.2 πmn-mrad, after transport through the RFQ the emittance blows up to 0.39 πmm-mrad for a Gaussian beam, but only to 0.26 πmm-mrad for an annular beam. Similarly, the halo parameter for the annular beam is only 0.4 as compared to 1.4 for the Gaussian beam. Thus, annular beams suffer lesser deterioration due to space-charge forces in transport through the RFQ, and may therefore be a better choice for HIPLs. (author)

  4. Hydrostatic pressure effect on charge transport properties of phenacene organic semiconductors.

    Science.gov (United States)

    Nguyen, Thao P; Shim, Ji Hoon

    2016-05-18

    We investigate the charge transport properties of phenacene organic semiconductors including phenanthrene, chrysene and picene using density functional theory (DFT) calculations under hydrostatic pressure. Under compression, the crystal structures of the three materials are altered and thus, a decrease in the intermolecular distances gives changes in charge transport properties while the molecular structures remain stable. As a result of the applied pressure, the mobilities of these materials increase dramatically. Chrysene shows a transition from a p-type semiconductor to an ambipolar semiconductor at around 2.0 GPa. Interestingly, chrysene favors electron transport at above 3.0 GPa. On the other hand, both phenanthrene and picene exhibit hole transport characteristics under high pressure. Between 3.1 and 4.3 GPa, the picene crystal is found to transform from an anisotropic mobility to an isotropic mobility in the ab plane. We also found that, the bulk modulus representing the resistance of the material under pressure compression follows a linear relationship with molecular length. PMID:27146786

  5. Rational design of charge transport molecules for blue organic light emitting devices

    Science.gov (United States)

    Padmaperuma, Asanga; Cosimbescu, Lelia; Koech, Phillip; Polikarpov, Evgueni; Swensen, James; Gaspar, Daniel

    2012-02-01

    The efficiency and stability of blue OLEDs continue to be the primary roadblock to developing organic solid-state white lighting as well as power efficient displays. It is generally accepted that such high quantum efficiency can be achieved with the use of organometallic phosphor doped OLEDs. The transport layers can be designed to increase the carrier density as a way to reduce the drive voltage. We have developed a comprehensive library of charge transporting molecules using combination of theoretical modeling and experimental evidence. Our work focuses on using chemical structure design and computational methods to develop host, transport, emitter, and blocking materials for high efficiency blue OLEDs, along with device architectures to take advantage of these new materials. Through chemical modification of materials we are able to influence both the charge balance and emission efficiency of OLEDs, and understand the influence of the location of photon emission in OLEDs as a function of minor chemical modifications of host and electron transport materials. Design rules, structure-property relationships and results from state of the art OLEDs will be presented.

  6. BEAMR: An interactive graphic computer program for design of charged particle beam transport systems

    Science.gov (United States)

    Leonard, R. F.; Giamati, C. C.

    1973-01-01

    A computer program for a PDP-15 is presented which calculates, to first order, the characteristics of charged-particle beam as it is transported through a sequence of focusing and bending magnets. The maximum dimensions of the beam envelope normal to the transport system axis are continuously plotted on an oscilloscope as a function of distance along the axis. Provision is made to iterate the calculation by changing the types of magnets, their positions, and their field strengths. The program is especially useful for transport system design studies because of the ease and rapidity of altering parameters from panel switches. A typical calculation for a system with eight elements is completed in less than 10 seconds. An IBM 7094 version containing more-detailed printed output but no oscilloscope display is also presented.

  7. Large-voltage behavior of charge transport characteristics in nanosystems with weak electron–vibration coupling

    Directory of Open Access Journals (Sweden)

    Tomáš Novotný

    2015-09-01

    Full Text Available We study analytically the Full Counting Statistics of the charge transport through a nanosystem consisting of a few electronic levels weakly coupled to a discrete vibrational mode. In the limit of large transport voltage bias the cumulant generating function can be evaluated explicitly based solely on the intuitive physical arguments and classical master equation description of the vibration mode. We find that for the undamped vibrational modes mutual dynamical interplay between electronic and vibronic degrees of freedom leads to strongly nonlinear (in voltage transport characteristics of the nanosystem. In particular, we find that for large voltages the k-th cumulant of the current grows as V2k to be contrasted with the linear dependence in case of more strongly externally damped and thus thermalized vibrational modes.

  8. Initial Energy Logistics Cost Analysis for Stationary, Quasi-Dynamic, and Dynamic Wireless Charging Public Transportation Systems

    Directory of Open Access Journals (Sweden)

    Young Jae Jang

    2016-06-01

    Full Text Available This paper presents an initial investment cost analysis of public transportation systems operating with wireless charging electric vehicles (EVs. There are three different types of wireless charging systems, namely, stationary wireless charging (SWC, in which charging happens only when the vehicle is parked or idle, quasi-dynamic wireless charging (QWC, in which power is transferred when a vehicle is moving slowly or in stop-and-go mode, and dynamic wireless charging (DWC, in which power can be supplied even when the vehicle is in motion. This analysis compares the initial investment costs for these three types of charging systems for a wireless charging-based public transportation system. In particular, this analysis is focused on the energy logistics cost in transportation, which is defined as the cost of transferring and storing the energy needed to operate the transportation system. Performing this initial investment analysis is complicated, because it involves considerable tradeoffs between the costs of batteries in the EV fleet and different kinds of battery-charging infrastructure. Mathematical optimization models for each type of EV and infrastructure system are used to analyze the initial costs. The optimization methods evaluate the minimum initial investment needed to deploy the public transportation system for each type of EV charging solution. To deal with the variable cost estimates for batteries and infrastructure equipment in the current market, a cost-sensitivity analysis is performed. The goal of this analysis is to identify the market cost conditions that are most favorable for each type of wireless charging solution. Furthermore, the cost analysis quantitatively verifies the qualitative comparison of the three different wireless charging types conducted in the previous research.

  9. Semiconductor quantum dots in polyelectrolyte polymers: multilayered self-assembly and charge transfer and transport processes

    International Nuclear Information System (INIS)

    Full text: Polyacrylate-capped Q-CdS were synthesized and self-assembled as multilayers in poly(diallyldimethylammonium chloride) on different surfaces by virtue of the Coulombic attraction between the negatively charged capping agent and the cationic polyelectrolyte polymer. TEM imaging and electron diffraction measurements revealed the growth of 3-4 nm size CdS quantum crystallites, having a zinc blende lattice structure. The layer-by-layer assembly of Q-CdS in the polymer by means of consecutive surface-charge reversal was characterized using UV-visible absorption, photoluminescence, FT-IR spectroscopy and ellipsometry; revealing the linear assembly of not more than a monolayer of nanoparticles per bilayer. Photo-induced charge transfer and transport processes at these nano structured photo electrodes were studied by photoelectrochemical means, revealing novel behavior markedly different from bulk solids. In these studies, either anodic or cathodic photocurrents were measured depending on the applied potential; a behavior attributed to the quantized properties of the nanoparticles. The potential at which the photocurrent reversed in direction was found to shift by-66 mV per pH unit, tracking the shift in the redox energies of water oxidation, oxygen reduction and hydrogen evolution. Photocurrent transients were featured at the onsets of light and are attributed to surface-states mediated charge transfer. Charge transfer and transport processes at the Q-films are modeled, accounting for the bidirectional current flow and its dependence on the electrode potential, the Fermi levels of the redox couples and the nanoparticles surface

  10. Intrinsic Charge Transport across Phase Transitions in Hybrid Organo-Inorganic Perovskites.

    Science.gov (United States)

    Yi, Hee Taek; Wu, Xiaoxi; Zhu, Xiaoyang; Podzorov, Vitaly

    2016-08-01

    Hall effect measurements in CH3 NH3 PbBr3 single crystals reveal that the charge-carrier mobility follows an inverse-temperature power-law dependence, μ ∝ T(-) (γ) , with the power exponent γ = 1.4 ± 0.1 in the cubic phase, indicating an acoustic-phonon-dominated carrier scattering, and γ = 0.5 ± 0.1 in the tetragonal phase, suggesting another dominant mechanism, such as a piezoelectric or space-charge scattering. PMID:27185304

  11. Fast Charging Battery Buses for the Electrification of Urban Public Transport : A Feasibility Study Focusing on Charging Infrastructure and Energy Storage Requirements

    OpenAIRE

    Matthias Rogge; Sebastian Wollny; Dirk Uwe Sauer

    2015-01-01

    The electrification of public transport bus networks can be carried out utilizing different technological solutions, like trolley, battery or fuel cell buses. The purpose of this paper is to analyze how and to what extent existing bus networks can be electrified with fast charging battery buses. The so called opportunity chargers use mainly the regular dwell time at the stops to charge their batteries. This results in a strong linkage between the vehicle scheduling and the infrastructure plan...

  12. Modeling charged defects, dopant diffusion and activation mechanisms for TCAD simulations using kinetic Monte Carlo

    International Nuclear Information System (INIS)

    This work will show how the kinetic Monte Carlo (KMC) technique is able to successfully model the defects and diffusion of dopants in Si-based materials for advanced microelectronic devices, especially for non-equilibrium conditions. Charge states of point defects and paired dopants are also simulated, including the dependency of the diffusivities on the Fermi level and charged particle drift coming from the electric field. The KMC method is used to simulate the diffusion of the point defects, and formation and dissolution of extended defects, whereas a quasi-atomistic approach is used to take into account the carrier densities. The simulated mechanisms include the kick-out diffusion mechanism, extended defect formation and the activation/deactivation of dopants through the formation of impurity clusters. Damage accumulation and amorphization are also taken into account. Solid phase epitaxy regrowth is included, and also the dopants redistribution during recrystallization of the amorphized regions. Regarding the charged defects, the model considers the dependencies of charge reactions, electric bias, pairing and break-up reactions according to the local Fermi level. Some aspects of the basic physical mechanisms have also been taken into consideration: how to smooth out the atomistic dopant point charge distribution, avoiding very abrupt and unphysical charge profiles and how to implement the drift of charged particles into the existing electric field. The work will also discuss the efficiency, accuracy and relevance of the method, together with its implementation in a technology computer aided design process simulator

  13. Space charge compensation on the low energy beam transport of Linac4

    CERN Document Server

    AUTHOR|(SzGeCERN)733270; Scrivens, Richard; Jesus Castillo, Santos

    Part of the upgrade program in the injector chains of the CERN accelerator complex is the replacement of the the proton accelerator Linac2 for the brand new Linac4 which will accelerate H$^-$ and its main goal is to increase the beam intensity in the next sections of the LHC accelerator chain. The Linac4 is now under commissioning and will use several ion sources to produce high intensity unbunched H$^-$ beams with different properties, and the low energy beam transport (LEBT) is the system in charge of match all these different beams to the Radio frequency quadrupole (RFQ). The space charge forces that spread the beam ions apart of each other and cause emittance growth limits the maximum intensity that can be transported in the LEBT, but the space charge of intense unbunched ion beams can be compensated by the generated ions by the impact ionization of the residual gas, which creates a source of secondary particles inside the beam pipe. For negative ion beams, the effect of the beam electric field is to ex...

  14. The Role of Shape on Electronic Structure and Charge Transport in Faceted PbSe Nanocrystals

    KAUST Repository

    Kaushik, Ananth P.

    2014-03-25

    We have determined the effect of shape on the charge transport characteristics of nanocrystals. Our study looked at the explicit determination of the electronic properties of faceted nanocrystals that essentially probe the limit of current computational reach, i.e., nanocrystals from 1.53 to 2.1 nm in diameter. These nanocrystals, which resemble PbSe systems, are either bare or covered in short ligands. They also differ in shape, octahedral vs cube-octahedral, and in superlattice symmetry (fcc vs bcc). We have provided insights on electron and hole coupling along different facets and overall charge mobility in bcc and fcc superlattices. We have determined that the relative areas of (100) to (111) facets, and facet atom types are important factors governing the optimization of charge transport. The calculated electronic density of states shows no role of -SCH3 - ligands on states near the band gap. Electron coupling between nanocrystals is significantly higher than that of hole coupling; thiol ligands lower the ratio between electron and hole couplings. Stronger coupling exists between smaller nanocrystals. © 2014 American Chemical Society.

  15. Mechanism of Paroxetine (Paxil) Inhibition of the Serotonin Transporter.

    Science.gov (United States)

    Davis, Bruce A; Nagarajan, Anu; Forrest, Lucy R; Singh, Satinder K

    2016-01-01

    The serotonin transporter (SERT) is an integral membrane protein that exploits preexisting sodium-, chloride-, and potassium ion gradients to catalyze the thermodynamically unfavorable movement of synaptic serotonin into the presynaptic neuron. SERT has garnered significant clinical attention partly because it is the target of multiple psychoactive agents, including the antidepressant paroxetine (Paxil), the most potent selective serotonin reuptake inhibitor known. However, the binding site and orientation of paroxetine in SERT remain controversial. To provide molecular insight, we constructed SERT homology models based on the Drosophila melanogaster dopamine transporter and docked paroxetine to these models. We tested the predicted binding configurations with a combination of radioligand binding and flux assays on wild-type and mutant SERTs. Our data suggest that the orientation of paroxetine, specifically its fluorophenyl ring, in SERT's substrate binding site directly depends on this pocket's charge distribution, and thereby provide an avenue toward understanding and enhancing high-affinity antidepressant activity. PMID:27032980

  16. Charge transport model in solid-state avalanche amorphous selenium and defect suppression design

    Science.gov (United States)

    Scheuermann, James R.; Miranda, Yesenia; Liu, Hongyu; Zhao, Wei

    2016-01-01

    Avalanche amorphous selenium (a-Se) in a layer of High Gain Avalanche Rushing Photoconductor (HARP) is being investigated for its use in large area medical imagers. Avalanche multiplication of photogenerated charge requires electric fields greater than 70 V μm-1. For a-Se to withstand this high electric field, blocking layers are used to prevent the injection of charge carriers from the electrodes. Blocking layers must have a high injection barrier and deep trapping states to reduce the electric field at the interface. In the presence of a defect in the blocking layer, a distributed resistive layer (DRL) must be included into the structure to build up space charge and reduce the electric field in a-Se and the defect. A numerical charge transport model has been developed to optimize the properties of blocking layers used in various HARP structures. The model shows the incorporation of a DRL functionality into the p-layer can reduce dark current at a point defect by two orders of magnitude by reducing the field in a-Se to the avalanche threshold. Hole mobility in a DRL of ˜10-8 cm2 V-1 s-1 at 100 V μm-1 as demonstrated by the model can be achieved experimentally by varying the hole mobility of p-type organic or inorganic semiconductors through doping, e.g., using Poly(9-vinylcarbozole) doped with 1%-3% (by weight) of poly(3-hexylthiopene).

  17. Secondary electron emission and self-consistent charge transport in semi-insulating samples

    Science.gov (United States)

    Fitting, H.-J.; Touzin, M.

    2011-08-01

    Electron beam induced self-consistent charge transport and secondary electron emission (SEE) in insulators are described by means of an electron-hole flight-drift model (FDM) now extended by a certain intrinsic conductivity (c) and are implemented by an iterative computer simulation. Ballistic secondary electrons (SE) and holes, their attenuation to drifting charge carriers, and their recombination, trapping, and field- and temperature-dependent detrapping are included. As a main result the time dependent "true" secondary electron emission rate δ(t) released from the target material and based on ballistic electrons and the spatial distributions of currents j(x,t), charges ρ(x,t), field F(x,t), and potential V(x,t) are obtained where V0 = V(0,t) presents the surface potential. The intrinsic electronic conductivity limits the charging process and leads to a conduction sample current to the support. In that case the steady-state total SE yield will be fixed below the unit: i.e., σ = η + δ < 1.

  18. Secondary electron emission and self-consistent charge transport in semi-insulating samples

    International Nuclear Information System (INIS)

    Electron beam induced self-consistent charge transport and secondary electron emission (SEE) in insulators are described by means of an electron-hole flight-drift model (FDM) now extended by a certain intrinsic conductivity (c) and are implemented by an iterative computer simulation. Ballistic secondary electrons (SE) and holes, their attenuation to drifting charge carriers, and their recombination, trapping, and field- and temperature-dependent detrapping are included. As a main result the time dependent ''true'' secondary electron emission rate δ(t) released from the target material and based on ballistic electrons and the spatial distributions of currents j(x,t), charges ρ(x,t), field F(x,t), and potential V(x,t) are obtained where V0 = V(0,t) presents the surface potential. The intrinsic electronic conductivity limits the charging process and leads to a conduction sample current to the support. In that case the steady-state total SE yield will be fixed below the unit: i.e., σ η + δ < 1.

  19. Electronic transport in single-helical protein molecules: Effects of multiple charge conduction pathways and helical symmetry

    OpenAIRE

    Kundu, Sourav; Karmakar, S. N.

    2016-01-01

    We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due to existence of both the multiple charge transfer pathways and helical symmetry, the transport properties are quite rigid under influence of envi- ronmental fluctuations which indicates that these biomolecules can serve as better alternatives in nanoelectr...

  20. Electronic transport in single-helical protein molecules: Effects of multiple charge conduction pathways and helical symmetry

    Science.gov (United States)

    Kundu, Sourav; Karmakar, S. N.

    2016-07-01

    We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due to existence of both the multiple charge transfer pathways and helical symmetry, the transport properties are quite rigid under influence of environmental fluctuations which indicates that these biomolecules can serve as better alternatives in nanoelectronic devices than its other biological counterparts e.g., single-stranded DNA.

  1. Richardson-Schottky transport mechanism in ZnS nanoparticles

    Directory of Open Access Journals (Sweden)

    Hassan Ali

    2016-05-01

    Full Text Available We report the synthesis and electrical transport mechanism in ZnS semiconductor nanoparticles. Temperature dependent direct current transport measurements on the compacts of ZnS have been performed to investigate the transport mechanism for temperature ranging from 300 K to 400 K. High frequency dielectric constant has been used to obtain the theoretical values of Richardson-Schottky and Poole-Frenkel barrier lowering coefficients. Experimental value of the barrier lowering coefficient has been calculated from conductance-voltage characteristics. The experimental value of barrier lowering coefficient βexp lies close to the theoretical value of Richardson-Schottky barrier lowering coefficient βth,RS showing Richardson-Schottky emission has been responsible for conduction in ZnS nanoparticles for the temperature range studied.

  2. Richardson-Schottky transport mechanism in ZnS nanoparticles

    Science.gov (United States)

    Ali, Hassan; Khan, Usman; Rafiq, M. A.; Falak, Attia; Narain, Adeela; Jing, Tang; Xu, Xiulai

    2016-05-01

    We report the synthesis and electrical transport mechanism in ZnS semiconductor nanoparticles. Temperature dependent direct current transport measurements on the compacts of ZnS have been performed to investigate the transport mechanism for temperature ranging from 300 K to 400 K. High frequency dielectric constant has been used to obtain the theoretical values of Richardson-Schottky and Poole-Frenkel barrier lowering coefficients. Experimental value of the barrier lowering coefficient has been calculated from conductance-voltage characteristics. The experimental value of barrier lowering coefficient βexp lies close to the theoretical value of Richardson-Schottky barrier lowering coefficient βth,RS showing Richardson-Schottky emission has been responsible for conduction in ZnS nanoparticles for the temperature range studied.

  3. Concentration dependence of the transport energy level for charge carriers in organic semiconductors

    Science.gov (United States)

    Oelerich, J. O.; Huemmer, D.; Weseloh, M.; Baranovskii, S. D.

    2010-10-01

    The concept of the transport energy (TE) has proven to be one of the most powerful theoretical approaches to describe charge transport in organic semiconductors. In the recent paper L. Li, G. Meller, and H. Kosina [Appl. Phys. Lett. 92, 013307 (2008)] have studied the effect of the partially filled localized states on the position of the TE level. We show that the position of the TE is essentially different to the one suggested by L. Li, G. Meller, and H. Kosina [Appl. Phys. Lett. 92, 013307 (2008)] We further modify the standard TE approach taking into account the percolation nature of the transport path. Our calculations show that the TE becomes dependent on the concentration of charge carriers n at much higher n values than those, at which the carrier mobility already strongly depends on n. Hence the calculations of the concentration-dependent carrier mobility cannot be performed within the approach, in which only the concentration dependence of the TE is taken into account.

  4. Two-dimensional fluid modelling of charged particle transport in radio-frequency capacitively coupled discharges

    International Nuclear Information System (INIS)

    This paper reviews the formulation and updates some numerical procedures usually adopted in two-dimensional, time-dependent fluid models to study the transport of charged particles in radio-frequency capacitively coupled discharges. The description of charged particle transport is made by solving the continuity and momentum transfer equations for electrons and ions, coupled with Poisson's equation and the electron mean energy transport equations. Inertia terms are considered in the ion momentum transfer equations, by generalizing the earlier definition of effective electric field. The electron mean energy equations are written using specific energy transport parameters, deduced from integration over the electron energy distribution function (EEDF). The model adopts the local mean energy approximation, i.e. it computes the electron transport parameters as a function of the electron mean energy, using either a homogeneous, two-term Boltzmann equation solver or a Maxwellian EEDF. More appropriate boundary conditions for the electron and ion fluxes are used successfully. The model is solved for a GEC Cell reactor type (with 6.4 cm radius and 3.2 cm interelectrode distance) operating at frequency 13.56 MHz, pressures between 10 mTorr and 10 Torr and applied voltages from 100 to 500 V, in electropositive (helium) and electronegative (silane-hydrogen) gases or gas mixtures. The ion kinetics in silane and hydrogen is updated with respect to previous works, by further considering SiH2+, H+ and H3+ ions. In general, simulation results for some typical electrical parameters are closer to experimental measurements available than calculations reported in previous works

  5. Charge-carrier transport in epitactical strontium titanate layers for the application in superconducting components

    International Nuclear Information System (INIS)

    In this thesis thin STO layers were epitactically deposited on YBCO for a subsequent electrical characterization. YBCO layers with a roughness of less than 2 nm (RMS), good out-of-plane orientation with a half-width in the rocking curve in the range (0.2..0.3) at only slightly diminished critical temperature could be reached. The STO layers exhibited also very good crystallographic properties. The charge-carrier transport in STO is mainly dominated by interface-limited processes. By means of an in thesis newly developed barrier model thereby the measured dependencies j(U,T) respectively σ(U,T) could be described very far-reachingly. At larger layer thicknesses and low temperatures the charge-carrier transport succeeds by hopping processes. So in the YBCO/STO/YBCO system the variable-range hopping could be identified as dominating transport process. Just above U>10 V a new behaviour is observed, which concerning its temperature dependence however is also tunnel-like. The STO layers exhibit here very large resistances, so that fields up to 107..108 V/m can be reached without flowing of significant leakage currents through the barrier. In the system YBCO/STO/Au the current transport can be principally in the same way as in the YBCO/STO/YBCO system. The special shape and above all the asymmetry of the barrier however work out very distinctly. It could be shown that at high temperatures according to the current direction a second barrier on the opposite electrode must be passed. So often observed breakdown effects can be well described. For STO layer-thicknesses in the range around 25 nm in the whole temperature range studied inelastic tunneling over chains of localized states was identified as dominating transport process. It could however for the first time be shown that at very low temperatures in the STO layers Coulomb blockades can be formed.

  6. Mass transport mechanism in porous fuel cell electrodes

    Science.gov (United States)

    Jonsson, I.; Lindholm, I.

    1969-01-01

    Results of experiments on hydrogen-oxygen fuel cells show that higher current densities are obtained with cell anodes having a 100 micron thin active layer of porous nickel containing silver electrocatalyst. Increase in current density is attributed to a convective mass transport mechanism.

  7. Dissecting the molecular mechanisms of intraflagellar transport in Chlamydomonas

    DEFF Research Database (Denmark)

    Pedersen, L. B.; Geimer, S.; Rosenbaum, J. L.

    2006-01-01

    the IFT system have been identified and characterized, but the mechanisms by which these different components are coordinated and regulated at the flagellar base and tip are unclear. Results Using a variety of Chlamydomonas mutants, we confirm that cDynein1b requires kinesin-2 for transport toward the...

  8. Issues in tokamak/stellarator transport and confinement enhancement mechanisms

    International Nuclear Information System (INIS)

    At present, the mechanism for anomalous energy transport in low-β toroidal plasmas -- tokamaks and stellarators -- remains unclear, although transport by turbulent E x B velocities associated with nonlinear, fine-scale microinstabilities is a leading candidate. This article discusses basic theoretical concepts of various transport and confinement enhancement mechanisms as well as experimental ramifications which would enable one to distinguish among them and hence identify a dominant transport mechanism. While many of the predictions of fine-scale turbulence are born out by experiment, notable contradictions exist. Projections of ignition margin rest both on the scaling properties of the confinement mechanism and on the criteria for entering enhanced confinement regimes. At present, the greatest uncertainties lie with the basis for scaling confinement enhancement criteria. A series of questions, to be answered by new experimental/theoretical work, is posed to resolve these outstanding contradictions (or refute the fine-scale turbulence model) and to establish confinement enhancement criteria. 73 refs., 4 figs., 5 tabs

  9. Evaporation as the transport mechanism of metals in arid regions

    NARCIS (Netherlands)

    Lima, A.T.; Safar, Z.; Loch, J.P.G.

    2014-01-01

    Soils of arid regions are exposed to drought and drastic temperature oscillations throughout the year. Transport mechanisms in these soils are therefore very different from the ones in temperate regions, where rain dictates the fate of most elements in soils. Due to the low rainfall and high evapora

  10. Charge Carrier Transport Through the Interface Between Hybrid Electrodes and Organic Materials in Flexible Organic Light Emitting Diodes.

    Science.gov (United States)

    Zhou, Huanyu; Cheong, Hahn-Gil; Park, Jin-Woo

    2016-05-01

    We investigated the electronic properties of composite-type hybrid transparent conductive electrodes (h-TCEs) based on Ag nanowire networks (AgNWs) and indium tin oxide (ITO). These h-TCEs were developed to replace ITO, and their mechanical flexibility is superior to that of ITO. However, the characteristics of charge carriers and the mechanism of charge-carrier transport through the interface between the h-TCE and an organic material are not well understood when the h-TCE is used as the anode in a flexible organic light-emitting diode (f-OLED). AgNWs were spin coated onto polymer substrates, and ITO was sputtered atop the AgNWs. The electronic energy structures of h-TCEs were investigated by ultraviolet photoelectron spectroscopy. f-OLEDs were fabricated on both h-TCEs and ITO for comparison. The chemical bond formation at the interface between the h-TCE and the organic layer in f-OLEDs was investigated by X-ray photoelectron spectroscopy. The performances of f-OLEDs were compared based on the analysis results. PMID:27483896

  11. Galopr, a beam transport program, with space-charge and bunching

    International Nuclear Information System (INIS)

    GALOPR is a first order beam transport code including 3 dimensional space charge forces and the beam bunching process. It deals with usual optical devices (bending magnets, lenses, solenoids, drift spaces, bunchers) and can take into account any special optical device represented by its transfer matrix with space charge (the Muller and the Pabot-Belmont inflectors were recently introduced as one of these devices). The beam can be continuous, bunched or undergoing a bunching or debunching process. The beam line parameters can be optimized in order to fit any elements of the 6 x 6 transfer and/or covariance matrices in order to obtain the maximum transmission efficiency. The results are presented with a complete set of print-outs and graphical displays. This code has been used to optimize the 100 kV Axial Injection Beam Line at GANIL

  12. Versatile Role of Solvent Additive for Tailoring Morphology in Polymer Solar Cells for Efficient Charge Transport.

    Science.gov (United States)

    Khatiwada, Devendra; Venkatesan, Swaminathan; Ngo, Evan C; Qiao, Qiquan

    2015-09-01

    In this work role of solvent additive namely 1,8 diiodoctane (DIO) on the nanoscale morphology and its relation with the charge transport of poly(diketopyrrolopyrrole-terthiophene) (PDPP3T):PCBM solar cells has been investigated. Addition of DIO led to enhanced structural ordering as observed from optical measurements. Photovoltaic devices processed with DIO additive showed improved efficiencies due to significant enhancement in short circuit current density. Atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM) images showed that DIO led to finer phase segregation that gave rise to better photovoltaic performance in additive processed active layers. Photoinduced current extraction by linearly increasing voltage (P-CELIV) measurements on PDPP3T:PCBM solar cells revealed higher mobility and extracted charge carrier density for DIO processed devices. PMID:26716280

  13. Evaluation and comparison of SN and Monte-Carlo charged particle transport calculations

    International Nuclear Information System (INIS)

    A study was done to evaluate a 3-D SN charged particle transport code called SMARTEPANTS1 and another 3-D Monte Carlo code called Integrated Tiger Series, ITS2. The evaluation study of SMARTEPANTS code was based on angular discretization and reflected boundary sensitivity whilst the evaluation of ITS was based on CPU time and variance reduction. The comparison of the two code was based on energy and charge deposition calculation in block of Gallium Arsenide with embedded gold cylinders. The result of evaluation tests shows that an S8 calculation maintains both accuracy and speed and calculations with reflected boundaries geometry produces full symmetrical results. As expected for ITS evaluation, the CPU time and variance reduction are opposite to a point beyond which the history augmentation while increasing the CPU time do not result in variance reduction. The comparison test problem showed excellent agreement in total energy deposition calculations

  14. Quadrupole beam-transport experiment for heavy ions under extreme space charge conditions

    International Nuclear Information System (INIS)

    A Cs ion-beam-transport experiment is in progress to study beam behavior under extreme space-charge conditions. A five-lens section matches the beam into a periodic electrostatic quadrupole FODO channel and its behavior is found to agree with predictions. With the available parameters (less than or equal to 200 keV, less than or equal to 20 mA, πepsilon/sub n/ greater than or equal to 10-7 π rad-m, up to 41 periods) the transverse (betatron) occillation frequency (nu) can be depressed down to one-tenth of its zero current value (nu/sub 0/), where nu/sup 2/ = nu/sub 0//sup 2/ -#betta#/sub p/2/2, and #betta#/sub p/ is the beam plasma frequency. The current can be controlled by adjustment of the gun and the emittance can be controlled independently by means of a set of charged grids

  15. Charge Transport in Thin Organic Semiconducting Films: Seebeck and Field Effect Studies

    Science.gov (United States)

    Böhm, W.; Fritz, T.; Leo, K.

    1997-03-01

    We have investigated the charge transport properties of vapor-deposited thin organic films, using the Seebeck effect for determining conduction type and Fermi energy and the field effect to measure mobility and total charge carrier density. We show that the combination of both techniques gives a complete picture of the electrical properties of the films. Wir untersuchen den Ladungsträgertransport in aufgedampften dünnen organischen Schichten, wobei der Seebeck-Effekt zur Bestimmung des Leitfähigkeitstyps und der Lage des Ferminiveaus und der Feldeffekt zur Bestimmung der Leitfähigkeit und der gesamten Ladungsträgerdichte benutzt wird. Es wird gezeigt, daß durch die Kombination beider Methoden ein geschlossenes Bild der elektrischen Eigenschaften erhalten wird.

  16. Anomalous charge transport in a quasi-one-dimensional electron system over liquid helium

    Science.gov (United States)

    Gladchenko, S. P.; Kovdrya, Yu. Z.; Nikolaenko, V. A.

    2003-11-01

    The conductivity σ in a quasi-one-dimensional electron system over liquid helium is measured in the temperature interval 0.5-1.7 K over a wide range of electron densities n. It is shown that the quantity σ/ne (e is the charge of the electron) initially increases with decreasing temperature and then, after passing through a maximum, begins to decline for T≈1 K. In this temperature region the value of σ/ne, above a certain value of the drift potential Vd, decreases with increasing Vd. It is conjectured that the anomalous charge transport observed in this study is due either to spatial ordering of the electrons in the quasi-one-dimensional channels or to the formation of many-electron polarons in the nonuniform potential along the channels.

  17. Research on the mechanisms of EME and charge accumulation during the rock crush

    Institute of Scientific and Technical Information of China (English)

    SU Wei-jia; LI Yan-ming

    2008-01-01

    The phenomenon of EME and charge accumulation were included during the load-bearing failure processing of the rock. The mechanism and signal law of the two kinds of phenomenon through the experiment, as well as the mutual relation of the two kinds of phenomenon, were contribute to monitor the regulation of the mine rock and prevent the dynamic disasters of the mine. There were two charge sensors, one electromagnetic radiated sensors and one pressure sensor in the experiment to detect the EME signal and the charge intensity signal during the load-bearing failure processing of the rock.The results show that the charge intensity signal is prior to the EME signal through the date processing and numerical analysis. The two signals change obviously before the rock crush. The two kinds of phenomenon are homogenous and have obvious master-slave characteristic. With the appeared of the EME signal, the charge intensity signal decreased,the power is released.

  18. Methods for two-dimensional charged-particle transport in collisionless plasmas

    International Nuclear Information System (INIS)

    A new method for modeling multi-dimensional charged particle transport in self-consistent electric and magnetic fields is presented. An implicit formulation of the Vlasov-Maxwell equations removes the usual restrictions on time and mesh spacing so that low frequency and large scale-length plasma phenomena can be studied. The improvement over previous explicit methods is literally orders of magnitude. As developed in a new code VENUS, we describe the algorithm and its stability and accuracy properties. This method allows one to bridge the enormous gap between the high frequency short scale-length collective plasma phenomena and the slow time scales and large-scale lengths of hydrodynamic processes. It should result in a significant improvement of phenomenological models of transport in existing hydrodynamics codes. Applications are given that include the discovery of the important role of self-generated magnetic fields in the convective transport of electron energy in laser irradiated plasmas. The transport, which occurs in the magnetized collisionless plasma corona, carries energy large distances from the laser deposition region in agreement with a wide variety of experimental data on apparent inhibited electron transport and fast ion loss

  19. Electroosmotic transport in polyelectrolyte-grafted nanochannels with pH-dependent charge density

    Science.gov (United States)

    Chen, Guang; Das, Siddhartha

    2015-05-01

    "Smart" polyelectrolyte-grafted or "soft" nanochannels with pH-responsiveness have shown great promise for applications like manipulation of ion transport, ion sensing and selection, current rectification, and many more. In this paper, we develop a theory to study the electroosmotic transport in a polyelectrolyte-grafted (or soft) nanochannel with pH-dependent charge density. In one of our recent studies, we have identified that explicit consideration of hydrogen ion concentration is mandatory for appropriately describing the electrostatics of such systems and the resulting monomer concentration must obey a non-unique, cubic distribution. Here, we use this electrostatic calculation to study the corresponding electroosmotic transport. We establish that the effect of pH in the electroosmotic transport in polyelectrolyte-grafted nanochannels introduces two separate issues: first is the consideration of the hydrogen and hydroxyl ion concentrations in describing the electroosmotic body force, and second is the consideration of the appropriate drag force that bears the signature of this cubic monomeric distribution. Our results indicate that the strength of the electroosmotic velocity for the pH-dependent case is always smaller than that for the pH-independent case, with the extent of this difference being a function of the system parameters. Such nature of the electroosmotic transport will be extremely significant in suppressing the electroosmotic flow strength with implications in large number applications such as capillary electrophoresis induced separation, electric field mediated DNA elongation, electrophoretic DNA nanopore sequencing, and many more.

  20. Early metabolic effects and mechanism of ammonium transport in yeast

    International Nuclear Information System (INIS)

    Studies were performed to define the effects and mechanism of NH+4 transport in yeast. The following results were obtained. Glucose was a better facilitator than ethanol-H2O2 for ammonium transport; low concentrations of uncouplers or respiratory inhibitors could inhibit the transport with ethanol as the substrate. With glucose, respiratory inhibitors showed only small inhibitory effects, and only high concentrations of azide or trifluoromethoxy carbonylcyanide phenylhydrazone could inhibit ammonium transport. Ammonium in the free state could be concentrated approximately 200-fold by the cells. Also, the addition of ammonium produced stimulation of both respiration and fermentation; an increased rate of H+ extrusion and an alkalinization of the interior of the cell; a decrease of the membrane potential, as monitored by fluorescent cyanine; an immediate decrease of the levels of ATP and an increase of ADP, which may account for the stimulation of both fermentation and respiration; and an increase of the levels of inorganic phosphate. Ammonium was found to inhibit 86Rb+ transport much less than K+. Also, while K+ produced a competitive type of inhibition, that produced by NH4+ was of the noncompetitive type. From the distribution ratio of ammonium and the pH gradient, an electrochemical potential gradient of around -180 mV was calculated. The results indicate that ammonium is transported in yeast by a mechanism similar to that of monovalent alkaline cations, driven by a membrane potential. The immediate metabolic effects of this cation seem to be due to an increased [H+]ATPase, to which its transport is coupled. However, the carriers seem to be different. The transport system studied in this work was that of low affinity

  1. Price Analysis of Railway Freight Transport under Marketing Mechanism

    Science.gov (United States)

    Shi, Ying; Fang, Xiaoping; Chen, Zhiya

    Regarding the problems in the reform of the railway tariff system and the pricing of the transport, by means of assaying the influence of the price elasticity on the artifice used for price, this article proposed multiple regressive model which analyzed price elasticity quantitatively. This model conclude multi-factors which influences on the price elasticity, such as the averagely railway freight charge, the averagely freight haulage of proximate supersede transportation mode, the GDP per capita in the point of origin, and a series of dummy variable which can reflect the features of some productive and consume demesne. It can calculate the price elasticity of different classes in different domains, and predict the freight traffic volume on different rate levels. It can calculate confidence-level, and evaluate the relevance of each parameter to get rid of irrelevant or little relevant variables. It supplied a good theoretical basis for directing the pricing of transport enterprises in market economic conditions, which is suitable for railway freight, passenger traffic and other transportation manner as well. SPSS (Statistical Package for the Social Science) software was used to calculate and analysis the example. This article realized the calculation by HYFX system(Ministry of Railways fund).

  2. Master equation approach to charge injection and transport in organic insulators.

    Science.gov (United States)

    Freire, José A; Voss, Grasiela

    2005-03-22

    We develop a master equation model of a disordered organic insulator sandwiched between metallic electrodes by treating as rate processes both the injection and the internal transport. We show how the master equation model allows for the inclusion of crucial correlation effects in the charge transport, particularly of the Pauli exclusion principle and of space-charge effects, besides, being dependent on just the microscopic form of the transfer rate between the localized electronic states, it allows for the investigation of different microscopic scenarios in the organic, such as polaronic hopping, correlated energy levels, interaction with image charge, etc. The model allows for a separate analysis of the injection and the recombination currents. We find that the disorder, besides increasing the injection current, eliminates the possibility of observation of a Fowler-Nordheim injection current at zero temperature, and that it does not alter the Schottky barrier size of the zero-field thermionic injection current from the value based on the energy difference between the electrode Fermi level and the highest occupied molecular orbital/lowest unoccupied molecular orbital levels in the organic, but it makes the Arrhenius temperature dependence appear at larger temperatures. We investigate how the I(V) characteristics of a device is affected by the presence of correlations in the site energy distribution and by the form of the internal hopping rate, specifically the Miller-Abrahams rate and the Marcus or small-polaron rate. We show that the disorder does not modify significantly the ebeta square root E field dependence of the net current due to the Schottky barrier lowering caused by the attraction between the charge and its image in the electrode. PMID:15836407

  3. Improvement of the charge-carrier transport property of polycrystalline CdTe for digital fluoroscopy

    International Nuclear Information System (INIS)

    Minimizing the radiation impact to the patient is currently an important issue in medical imaging. Particularly, in case of X-ray fluoroscopy, the patient is exposed to high X-ray dose because a large number of images is required in fluoroscopic procedures. In this regard, a direct-conversion X-ray sensor offers the advantages of high quantum efficiency, X-ray sensitivity, and high spatial resolution. In particular, an X-ray sensor in fluoroscopy operates at high frame rate, in the range from 30 to 60 image frames per second. Therefore, charge-carrier transport properties and signal lag are important factors for the development of X-ray sensors in fluoroscopy. In this study, in order to improve the characteristics of polycrystalline cadmium telluride (CdTe), CdTe films were prepared by thermal evaporation and RF sputtering. The deposition was conducted to form a CdTeO3 layer on top of a CdTe film. The role of CdTeO3 is not only to improve the charge-carrier transport by increasing the life-time but also to reduce the leakage current of CdTe films by acting as a passivation layer. In this paper, to establish the effect of a thin oxide layer on top of a CdTe film, the morphological and electrical properties including charge-carrier transport and signal lag were investigated by means of X-ray diffraction, X-ray photoemission spectroscopy, and resistivity measurements

  4. Improvement of the charge-carrier transport property of polycrystalline CdTe for digital fluoroscopy

    Science.gov (United States)

    Oh, K. M.; Heo, Y. J.; Kim, D. K.; Kim, J. S.; Shin, J. W.; Lee, G. H.; Nam, S. H.

    2014-05-01

    Minimizing the radiation impact to the patient is currently an important issue in medical imaging. Particularly, in case of X-ray fluoroscopy, the patient is exposed to high X-ray dose because a large number of images is required in fluoroscopic procedures. In this regard, a direct-conversion X-ray sensor offers the advantages of high quantum efficiency, X-ray sensitivity, and high spatial resolution. In particular, an X-ray sensor in fluoroscopy operates at high frame rate, in the range from 30 to 60 image frames per second. Therefore, charge-carrier transport properties and signal lag are important factors for the development of X-ray sensors in fluoroscopy. In this study, in order to improve the characteristics of polycrystalline cadmium telluride (CdTe), CdTe films were prepared by thermal evaporation and RF sputtering. The deposition was conducted to form a CdTeO3 layer on top of a CdTe film. The role of CdTeO3 is not only to improve the charge-carrier transport by increasing the life-time but also to reduce the leakage current of CdTe films by acting as a passivation layer. In this paper, to establish the effect of a thin oxide layer on top of a CdTe film, the morphological and electrical properties including charge-carrier transport and signal lag were investigated by means of X-ray diffraction, X-ray photoemission spectroscopy, and resistivity measurements.

  5. LOGISTIC APPROACH IN CREATING AN EFFECTIVE MECHANISM OF PASSENGER TRANSPORTATION MANAGEMENT BY RAILWAY TRANSPORT

    Directory of Open Access Journals (Sweden)

    V. I. Kopytko

    2009-09-01

    Full Text Available The logical concept of passenger transportation management on the railway transport is considered. This concept provides the creation of logical centers, which must combine the market mechanism with the government regulation. It is motivated that the efficient work condition of logical centers is a determination of main factors, due to which it is possible to realize the classification of passenger traffic that will allow forecasting the behavior of a logistic structure at the passenger market.

  6. Increased coordination in public transport – which mechanisms are available?

    DEFF Research Database (Denmark)

    Sørensen, Claus Hedegaard; Longva, Frode

    2011-01-01

    After several years of New Public Management reforms within public transport, coordination seems to receive increased attention. With examples of actual as well as suggested changes taken from Denmark, Sweden and the UK the aim of the article is to analyse and classify the mechanisms utilized and...... mechanism has its strengths and failures. The article also debates to what extent the mechanisms conflict with three core characteristics of New Public Management: Unbundling of the public sector into corporatized units; more contract-based competitive provision; and greater emphasis on output controls....

  7. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

    OpenAIRE

    Shutthanandan V; Becker U; Ramana CV; Julien CM

    2008-01-01

    Abstract Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer me...

  8. On the Mechanism of the Primary Charge Separation in Bacterial Photosynthesis

    CERN Document Server

    Mak, C H; Egger, Reinhold

    1994-01-01

    We present a detailed analysis of the mechanism of the primary charge separation process in bacterial photosynthesis using real-time path integrals. Direct computer simulations as well as an approximate analytical theory have been employed to map out the dynamics of the charge separation process in many regions of the parameter space relevant to bacterial photosynthesis. Two distinct parameter regions, one characteristic of sequential transfer and the other characteristic of superexchange, have been found to yield charge separation dynamics in agreement with experiments. Nonadiabatic theory provides accurate rate estimates for low-lying and very high-lying bacteriochlorophyll state energies, but it breaks down in between these two regimes.

  9. Metal-molecule contacts and charge transport across monomolecular layers: measurement and theory.

    Science.gov (United States)

    Kushmerick, J G; Holt, D B; Yang, J C; Naciri, J; Moore, M H; Shashidhar, R

    2002-08-19

    Charge transport studies across molecular length scales under symmetric and asymmetric metal-molecule contact conditions using a simple crossed-wire tunnel junction technique are presented. It is demonstrated that oligo(phenylene ethynylene), a conjugated organic molecule, acts like a molecular wire under symmetric contact conditions, but exhibits characteristics of a molecular diode when the connections are asymmetric. To understand this behavior, we have calculated current-voltage (I-V) characteristics using extended Huckel theory coupled with a Green's function approach. The experimentally observed I-V characteristics are in excellent qualitative agreement with the theory. PMID:12190491

  10. A Boltzmann-weighted hopping model of charge transport in organic semicrystalline films

    KAUST Repository

    Kwiatkowski, Joe J.

    2011-01-01

    We present a model of charge transport in polycrystalline electronic films, which considers details of the microscopic scale while simultaneously allowing realistically sized films to be simulated. We discuss the approximations and assumptions made by the model, and rationalize its application to thin films of directionally crystallized poly(3-hexylthiophene). In conjunction with experimental data, we use the model to characterize the effects of defects in these films. Our findings support the hypothesis that it is the directional crystallization of these films, rather than their defects, which causes anisotropic mobilities. © 2011 American Institute of Physics.

  11. The diffusive idealization of charged-particle transport in random magnetic fields. [cosmic ray propagation

    Science.gov (United States)

    Earl, J. A.

    1974-01-01

    The uniqueness and accuracy of the equations which describe the transport of charged particles diffusing in a random magnetic field parallel to a relatively large guiding field is examined. With regard to uniqueness, it is found that the same coefficient of diffusion is obtained by three methods that have apparently led to discrepancies in previous work. With regard to accuracy, it is found that two corrections must be added to Fick's law in which the diffusive flux is proportional to the gradient of the density. Explicit expressions are given for a characteristic time and a characteristic length which describe the corrections.

  12. Ionic charge transport between blockages: Sodium cation conduction in freshly excised bulk brain tissue

    Energy Technology Data Exchange (ETDEWEB)

    Emin, David, E-mail: emin@unm.edu [Department of Physics and Astronomy, University of New Mexico, Albuquerque, NM 87131 (United States); Akhtari, Massoud [Semple Institutes for Neuroscience and Human Behavior, David Geffen School of Medicine, University of California at Los Angeles, Los Angeles, CA 90095 (United States); Ellingson, B. M. [Department of Radiology, David Geffen School of Medicine, University of California at Los Angeles, Los Angeles, CA 90095 (United States); Mathern, G. W. [Department of Neurosurgery, David Geffen School of Medicine, University of California at Los Angeles, Los Angeles, CA 90095 (United States)

    2015-08-15

    We analyze the transient-dc and frequency-dependent electrical conductivities between blocking electrodes. We extend this analysis to measurements of ions’ transport in freshly excised bulk samples of human brain tissue whose complex cellular structure produces blockages. The associated ionic charge-carrier density and diffusivity are consistent with local values for sodium cations determined non-invasively in brain tissue by MRI (NMR) and diffusion-MRI (spin-echo NMR). The characteristic separation between blockages, about 450 microns, is very much shorter than that found for sodium-doped gel proxies for brain tissue, >1 cm.

  13. Simulation of neutron transport process, photons and charged particles within the Monte Carlo method

    International Nuclear Information System (INIS)

    Description is given to the program system BRAND designed for the accurate solution of non-stationary transport equation of neutrons, photons and charged particles in the conditions of real three-dimensional geometry. An extensive set of local and non-local estimates provides an opportunity of calculating a great set of linear functionals normally being of interest in the calculation of reactors, radiation protection and experiment simulation. The process of particle interaction with substance is simulated on the basis of individual non-group data on each isotope of the composition. 24 refs

  14. The effect of interfacial layers on charge transport in organic solar cell

    Science.gov (United States)

    Mbuyise, Xolani G.; Tonui, Patrick; Mola, Genene Tessema

    2016-09-01

    The effect of interfacial buffer layers in organic photovoltaic cell (OPV) whose active layer is composed of poly(3 hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blend was studied. The electrical properties of OPV devices produced with and without interfacial layers are compared and discussed in terms of measured parameters of the cells. The charge transport properties showed significant difference on the mobility and activation factor between the two types of device structures. The life time measurements in the unprotected conditions are also presented and discussed.

  15. Ionic charge transport between blockages: Sodium cation conduction in freshly excised bulk brain tissue

    International Nuclear Information System (INIS)

    We analyze the transient-dc and frequency-dependent electrical conductivities between blocking electrodes. We extend this analysis to measurements of ions’ transport in freshly excised bulk samples of human brain tissue whose complex cellular structure produces blockages. The associated ionic charge-carrier density and diffusivity are consistent with local values for sodium cations determined non-invasively in brain tissue by MRI (NMR) and diffusion-MRI (spin-echo NMR). The characteristic separation between blockages, about 450 microns, is very much shorter than that found for sodium-doped gel proxies for brain tissue, >1 cm

  16. Correlation of nanostructure and charge transport properties of oxidized a -SiC:H films

    Energy Technology Data Exchange (ETDEWEB)

    Gordienko, S.O.; Nazarov, A.N.; Vasin, A.V.; Rusavsky, A.V.; Lysenko, V.S. [Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, Prospekt Nauki 41, 03028 Kyiv (Ukraine)

    2012-06-15

    This paper considers the influence of low temperature oxidation on structural and electrical properties of amorphous carbon-rich a -Si{sub 1-x}C{sub x}:H thin films fabricated by reactive RF magnetron sputtering. It is shown that oxidation leads to formation of SiO{sub x} matrix with graphite-like carbon inclusions. Such conductive precipitates has a strong effect on charge transport in oxidized a -Si{sub 1-x}C{sub x}:H films (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. GaAs Quantum Dot Thermometry Using Direct Transport and Charge Sensing

    OpenAIRE

    Maradan, D.; L. Casparis; Liu, T.-M.; Biesinger, D. E. F.; Scheller, C. P.; Zumbühl, D. M.; Zimmerman, J.; Gossard, A. C.

    2014-01-01

    We present measurements of the electron temperature using gate defined quantum dots formed in a GaAs 2D electron gas in both direct transport and charge sensing mode. Decent agreement with the refrigerator temperature was observed over a broad range of temperatures down to 10 mK. Upon cooling nuclear demagnetization stages integrated into the sample wires below 1 mK, the device electron temperature saturates, remaining close to 10 mK. The extreme sensitivity of the thermometer to its environm...

  18. Common Mitochondrial DNA Mutations Generated through DNA-Mediated Charge Transport

    OpenAIRE

    Merino, Edward J.; Davis, Molly L.; Barton, Jacqueline K.

    2009-01-01

    Mutation sites that arise in human mitochondrial DNA as a result of oxidation by a rhodium photooxidant have been identified. HeLa cells were incubated with [Rh(phi)2bpy]Cl3 (phi is 9,10-phenanthrenequinone diimine), an intercalating photooxidant, to allow the complex to enter the cell and bind mitochondrial DNA. Photoexcitation of DNA-bound [Rh(phi)2bpy]3+ can promote the oxidation of guanine from a distance through DNA-mediated charge transport. After two rounds of photolysis and growth of ...

  19. Charge transport in a nonlinear, three--dimensional DNA model with disorder

    OpenAIRE

    Archilla, Juan F. R.; Hennig, Dirk; J Agarwal

    2002-01-01

    We study the transport of charge due to polarons in a model of DNA which takes in account its 3D structure and the coupling of the electron wave function with the H--bond distortions and the twist motions of the base pairs. Perturbations of the ground states lead to moving polarons which travel long distances. The influence of parametric and structural disorder, due to the impact of the ambient, is considered, showing that the moving polarons survive to a certain degree of disorder. Compariso...

  20. Non-randomized mtDNA damage after ionizing radiation via charge transport

    OpenAIRE

    Xin Zhou; Xinguo Liu; Xin Zhang; Rong Zhou; Yang He; Qiang Li; Zhenhua Wang; Hong Zhang

    2012-01-01

    Although it is well known that there are mutation hot spots in mtDNA, whether there are damage hot spots remain elusive. In this study, the regional DNA damage of mitochondrial genome after ionizing radiation was determined by real-time quantitative PCR. The mtDNA damage level was found to be dose-dependent and regional unequal. The control region was the most susceptible region to oxidative damage. GGG, as an typical hole trap during charge transport, was found to be disproportionally enrich...

  1. Protein–DNA charge transport: Redox activation of a DNA repair protein by guanine radical

    OpenAIRE

    Yavin, Eylon; Boal, Amie K.; Stemp, Eric D. A.; Boon, Elizabeth M; Livingston, Alison L.; O'Shea, Valerie L.; David, Sheila S.; Barton, Jacqueline K.

    2005-01-01

    DNA charge transport (CT) chemistry provides a route to carry out oxidative DNA damage from a distance in a reaction that is sensitive to DNA mismatches and lesions. Here, DNA-mediated CT also leads to oxidation of a DNA-bound base excision repair enzyme, MutY. DNA-bound Ru(III), generated through a flash/quench technique, is found to promote oxidation of the [4Fe-4S](2+) cluster of MutY to [4Fe-4S](3+) and its decomposition product [3Fe-4S](1+). Flash/quench experiments monitored by EPR spec...

  2. TTF/TCNQ-based thin films and microcrystals. Growth and charge transport phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Solovyeva, Vita

    2011-05-26

    The thesis adresses several problems related to growth and charge transport phenomena in thin films of TTF-TCNQ and (BEDT-TTF)TCNQ. The following main new problems are addressed: - The influence of thin-film specific factors, such as the substrate material and growth-induced defects, on the Peierls transition temperature in TTF-TCNQ thin films was studied; - finite-size effects in TTF-TCNQ were investigated by considering transport properties in TTF-TCNQ microcrystals. The influence of the size of the crystal on the Peierls transition temperature was studied. In this context a new method of microcontact fabrication was employed to favor the measurements; - an analysis of radiation-induced defects in TTF-TCNQ thin films and microcrystals was performed. It was demonstrated than an electron beam can induce appreciable damage to the sample such that its electronic properties are strongly modified; - a bilayer growth method was established to fabricate (BEDT-TTF)TCNQ from the gas phase. This newly developed bilayer growth method was showed to be suitable for testing (BEDT-TTF)TCNQ charge-transfer phase formation; - the structure of the formed (BEDT-TTF)TCNQ charge-transfer compounds was analyzed by using a wide range of experimental techniques. An overview and the description of the basic physical principles underlying charge-transfer compounds is given in chapter 2. Experimental techniques used for the growth and characterization of thin films and microcrystals are presented in chapter 3. Chapter 4 gives an overview of the physical properties of the studied organic materials. Chapter 5 discussed the experimental study of TTF-TCNQ thin films. he Peierls transition in TTF-TCNQ is a consequence of the quasi-one-dimensional structure of the material and depends on different factors, studied in chapters 5 and 6. In contradistinction to TTF-TTCNQ, the (BEDT-TTF)TCNQ charge-transfer compound crystallizes in several different modifications with different physical properties

  3. Charging dynamics of a polymer due to electron irradiation: A simultaneous scattering-transport model and preliminary results

    Institute of Scientific and Technical Information of China (English)

    Cao Meng; Wang Fang; Liu Jing; Zhang Hai-Bo

    2012-01-01

    We present a novel numerical model and simulate preliminarily the charging process of a polymer subjected to electron irradiation of several 10 keV.The model includes the simultaneous processes of electron scattering and ambipolar transport and the influence of a self-consistent electric field on the scattering distribution of electrons.The dynamic spatial distribution of charges is obtained and validated by existing experimental data.Our simulations show that excess negative charges are concentrated near the edge of the electron range.However,the formed region of high charge density may extend to the surface and bottom of a kapton sample,due to the effects of the electric field on electron scattering and charge transport,respectively.Charge trapping is then demonstrated to significantly influence the charge motion.The charge distribution can be extended to the bottom as the trap density decreases.Charge accumulation is therefore balanced by the appearance and increase of leakage current.Accordingly,our model and numerical simulation provide a comprehensive insight into the charging dynamics of a polymer irradiated by electrons in the complex space environment.

  4. A renormalization approach to describe charge transport in quasiperiodic dangling backbone ladder (DBL)-DNA molecules

    International Nuclear Information System (INIS)

    Highlights: → One-step renormalization approach to describe the DBL-DNA molecule. → Electronic tight-binding Hamiltonian model. → A quasiperiodic sequence to mimic the DNA nucleotides arrangement. → Electronic transmission spectra. → I-V characteristics. -- Abstract: We study the charge transport properties of a dangling backbone ladder (DBL)-DNA molecule focusing on a quasiperiodic arrangement of its constituent nucleotides forming a Rudin-Shapiro (RS) and Fibonacci (FB) Poly (CG) sequences, as well as a natural DNA sequence (Ch22) for the sake of comparison. Making use of a one-step renormalization process, the DBL-DNA molecule is modeled in terms of a one-dimensional tight-binding Hamiltonian to investigate its transmissivity and current-voltage (I-V) profiles. Beyond the semiconductor I-V characteristics, a striking similarity between the electronic transport properties of the RS quasiperiodic structure and the natural DNA sequence was found.

  5. Verification of the dispersive charge transport in a hydrazone:polycarbonate molecularly doped polymer

    International Nuclear Information System (INIS)

    We report results of specially planned experiments intended to verify the dispersive character of the charge carrier transport in polycarbonate molecularly doped with hydrazone at 30 wt% loading, using for this purpose samples specifically featuring a well-defined plateau on a linear-linear plot. For this purpose we propose a new variant of the time-of-flight technique which allows easy changing of the generation zone width from about 0.5 μm (surface excitation) through intermediate values to full sample thickness (bulk excitation). To achieve this, we use electron pulses of 3-50 keV energy rather than traditional light pulses provided by lasers. Experimental results corroborated by numerical calculations uniquely prove that carrier transport in this molecularly doped polymer is dispersive, with the dispersion parameter equal to 0.75. Nevertheless, the mobility field dependence follows the famous Poole-Frenkel law.

  6. On the definition of Burnett transport coefficients of the dense multi-element charged matter

    International Nuclear Information System (INIS)

    To determine the Burnett transport coefficients of non-ideal multi-element charged matter the representations of conservation equations of matter as generalized Langevin equations are used. Mori's algorithm is revised to derive the equation of motion of a dynamical value operator of a system in the form of the generalized nonlinear Langevin equation. After transformation, using necessary variational derivatives, these equations are compared with the Burnett hydrodynamical conservation equations. In consequence, the response function expressions of transport coefficients corresponding to second-order derivatives of thermal disturbances are found in the long-wavelength and low-frequency limits. To establish a link between the results of the executed investigations and hydrodynamical problems the properties of the high derivative coefficients matrix of the set of conservation equations in the linearized Burnett approximation are discussed

  7. Contrasting influence of charged impurities on transport and gain in terahertz quantum cascade lasers

    Science.gov (United States)

    Grange, Thomas

    2015-12-01

    Transport and gain properties of a resonant-phonon terahertz quantum cascade laser are calculated using nonequilibrium Green's functions. Impurity scattering is shown to be responsible for contrasting nonlinear effects in the transport and the gain properties. For typical doping concentrations, the current density is found to be weakly sensitive to the impurity scattering strength. In contrast, the calculated gain is found to be very sensitive to the impurity scattering strength. This difference is attributed to the strong momentum dependence of the long-range coupling to charged impurities. Small-momentum impurity scattering is shown to be responsible for an incoherent regime of resonant tunneling processes. These insights into the crucial role of impurity scattering open a route of improvement of terahertz quantum cascade lasers by engineering of the doping profile.

  8. A renormalization approach to describe charge transport in quasiperiodic dangling backbone ladder (DBL)-DNA molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sarmento, R.G. [Departamento de Fisica, Universidade Federal do Rio Grande do Norte, 59072-970 Natal, RN (Brazil); Fulco, U.L. [Departamento de Biofisica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal, RN (Brazil); Albuquerque, E.L., E-mail: eudenilson@gmail.com [Departamento de Biofisica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal, RN (Brazil); Caetano, E.W.S. [Instituto Federal de Educacao, Ciencia e Tecnologia do Ceara, 60040-531 Fortaleza, CE (Brazil); Freire, V.N. [Departamento de Fisica, Universidade Federal do Ceara, 60455-760 Fortaleza, CE (Brazil)

    2011-10-31

    Highlights: → One-step renormalization approach to describe the DBL-DNA molecule. → Electronic tight-binding Hamiltonian model. → A quasiperiodic sequence to mimic the DNA nucleotides arrangement. → Electronic transmission spectra. → I-V characteristics. -- Abstract: We study the charge transport properties of a dangling backbone ladder (DBL)-DNA molecule focusing on a quasiperiodic arrangement of its constituent nucleotides forming a Rudin-Shapiro (RS) and Fibonacci (FB) Poly (CG) sequences, as well as a natural DNA sequence (Ch22) for the sake of comparison. Making use of a one-step renormalization process, the DBL-DNA molecule is modeled in terms of a one-dimensional tight-binding Hamiltonian to investigate its transmissivity and current-voltage (I-V) profiles. Beyond the semiconductor I-V characteristics, a striking similarity between the electronic transport properties of the RS quasiperiodic structure and the natural DNA sequence was found.

  9. OoTran, an object-oriented program for charged-particle beam transport design

    International Nuclear Information System (INIS)

    The OoTran program is a new object-oriented program for charged-particle beam transport computation. Using a simple menu interface, the user builds his beam line with magnetic and electric elements taken from a standard library. The program computes the beam transport using a well-known first-order matrix formalism and displays 'in real time' the computed beam envelope. The menu editor provides functions to interactively modify the beam line. Ootran is written in C++ and uses two object libraries: OOPS, the Object-Oriented Program Support Class Library, which is a collection of classes similar to those of Smalltalk-80; and InterViews, a C++ graphical-interface toolkit based on the X-Window system. OoTran is running on DECstation 3100, VAXstation 2000 and SUN 3, with the ULTRIX and SUN OS operating systems. (orig.)

  10. 8-cyclopropyl-2'-deoxyguanosine: a hole trap for DNA-mediated charge transport.

    Science.gov (United States)

    Wong, Jiun Ru; Shao, Fangwei

    2014-05-26

    DNA duplexes containing 8-cyclopropyl-2'-deoxyguanosine ((8CP) G) were synthesized to investigate the effect of the C8-modified deoxyguanosine as a kinetic trap for transient hole occupancy on guanines during DNA-mediated hole transport (HT). Thermal denaturation and CD spectra show that DNA duplexes containing (8CP) G are able to form stable B-form duplexes. Photoirradiation of terminal tethered anthraquinone can induce oxidative decomposition of (8CP) G through DNA HT along adenine tracts with lengths of up to 4.8 nm. Shallow and periodic distance dependence was observed in a long adenine tract with intervening guanines. The efficient charge transport indicates that (8CP) G can electronically couple well with a DNA bridge and form HT-active conformational domains to facilitate transient hole delocalization over an adenine tract. PMID:24764318

  11. The mechanical cost of transport of fast running animals.

    Science.gov (United States)

    Fuentes, Mauricio A

    2014-03-21

    Regarding running animals, algebraic expressions for the horizontal (ωx) and vertical (ωy) components of the mechanical cost of transport are deduced for a ground force pattern based on the Spring-mass model. Defining μ˜ as the maximum ground forces ratio μ˜=max(Fx)/max(Fy), the analysis shows that the mechanical cost of transport ωx+ωy for fast running animals is approximately proportional to μ˜, and to the relative contact length, and positively correlated to the limb take-off angle and the collision angle. The vertical cost ωy is shown to approximate to zero for fast running animals. Sustained top running speeds are predicted to require the largest possible values of μ˜ and therefore relatively large horizontal propulsive forces, as well as a minimum possible ground contact time. The equations also show that animals running relatively slow would tend to prefer certain interval of values for parameter μ˜, which would minimize both their mechanical cost of transport and their metabolic cost of transport. Very large animals are suspected to be less capable of developing large values of μ˜, which possibly renders them incapable of developing great speeds. PMID:24333209

  12. Structure and mechanism of ATP-dependent phospholipid transporters

    DEFF Research Database (Denmark)

    Lopez Marques, Rosa Laura; Poulsen, Lisbeth Rosager; Bailly, Aurélien;

    2015-01-01

    Background ATP-binding cassette (ABC) transporters and P4-ATPases are two large and seemingly unrelated families of primary active pumps involved in moving phospholipids from one leaflet of a biological membrane to the other. Scope of review This review aims to identify common mechanistic features...... in the way phospholipid flipping is carried out by two evolutionarily unrelated families of transporters. Major conclusions Both protein families hydrolyze ATP, although they employ different mechanisms to use it, and have a comparable size with twelve transmembrane segments in the functional unit...

  13. Long-range charge transfer in biopolymers

    Science.gov (United States)

    Astakhova, T. Yu; Likhachev, V. N.; Vinogradov, G. A.

    2012-11-01

    The results of theoretical and experimental studies on the charge transfer in biopolymers, namely, DNA and peptides, are presented. Conditions that ensure the efficient long-range charge transport (by several tens of nanometres) are considered. The known theoretical models of charge transfer mechanisms are discussed and the scopes of their application are analyzed. Attention is focused on the charge transport by the polaron mechanism. The bibliography includes 262 references.

  14. Heterojunction PbS Nanocrystal Solar Cells with Oxide Charge-Transport Layers

    KAUST Repository

    Hyun, Byung-Ryool

    2013-12-23

    Oxides are commonly employed as electron-transport layers in optoelectronic devices based on semiconductor nanocrystals, but are relatively rare as hole-transport layers. We report studies of NiO hole-transport layers in PbS nanocrystal photovoltaic structures. Transient fluorescence experiments are used to verify the relevant energy levels for hole transfer. On the basis of these results, planar heterojunction devices with ZnO as the photoanode and NiO as the photocathode were fabricated and characterized. Solution-processed devices were used to systematically study the dependence on nanocrystal size and achieve conversion efficiency as high as 2.5%. Optical modeling indicates that optimum performance should be obtained with thinner oxide layers than can be produced reliably by solution casting. Roomerature sputtering allows deposition of oxide layers as thin as 10 nm, which enables optimization of device performance with respect to the thickness of the charge-transport layers. The best devices achieve an open-circuit voltage of 0.72 V and efficiency of 5.3% while eliminating most organic material from the structure and being compatible with tandem structures. © 2013 American Chemical Society.

  15. Coherent Charge Transport in Ballistic InSb Nanowire Josephson Junctions

    Science.gov (United States)

    Li, S.; Kang, N.; Fan, D. X.; Wang, L. B.; Huang, Y. Q.; Caroff, P.; Xu, H. Q.

    2016-01-01

    Hybrid InSb nanowire-superconductor devices are promising for investigating Majorana modes and topological quantum computation in solid-state devices. An experimental realisation of ballistic, phase-coherent superconductor-nanowire hybrid devices is a necessary step towards engineering topological superconducting electronics. Here, we report on a low-temperature transport study of Josephson junction devices fabricated from InSb nanowires grown by molecular-beam epitaxy and provide a clear evidence for phase-coherent, ballistic charge transport through the nanowires in the junctions. We demonstrate that our devices show gate-tunable proximity-induced supercurrent and clear signatures of multiple Andreev reflections in the differential conductance, indicating phase-coherent transport within the junctions. We also observe periodic modulations of the critical current that can be associated with the Fabry-Pérot interference in the nanowires in the ballistic transport regime. Our work shows that the InSb nanowires grown by molecular-beam epitaxy are of excellent material quality and hybrid superconducting devices made from these nanowires are highly desirable for investigation of the novel physics in topological states of matter and for applications in topological quantum electronics. PMID:27102689

  16. Coherent Charge Transport in Ballistic InSb Nanowire Josephson Junctions

    Science.gov (United States)

    Li, S.; Kang, N.; Fan, D. X.; Wang, L. B.; Huang, Y. Q.; Caroff, P.; Xu, H. Q.

    2016-04-01

    Hybrid InSb nanowire-superconductor devices are promising for investigating Majorana modes and topological quantum computation in solid-state devices. An experimental realisation of ballistic, phase-coherent superconductor-nanowire hybrid devices is a necessary step towards engineering topological superconducting electronics. Here, we report on a low-temperature transport study of Josephson junction devices fabricated from InSb nanowires grown by molecular-beam epitaxy and provide a clear evidence for phase-coherent, ballistic charge transport through the nanowires in the junctions. We demonstrate that our devices show gate-tunable proximity-induced supercurrent and clear signatures of multiple Andreev reflections in the differential conductance, indicating phase-coherent transport within the junctions. We also observe periodic modulations of the critical current that can be associated with the Fabry-Pérot interference in the nanowires in the ballistic transport regime. Our work shows that the InSb nanowires grown by molecular-beam epitaxy are of excellent material quality and hybrid superconducting devices made from these nanowires are highly desirable for investigation of the novel physics in topological states of matter and for applications in topological quantum electronics.

  17. Analysis method and utilization mechanism of the overall value of EV charging

    International Nuclear Information System (INIS)

    Highlights: • Analysis on the overall value of EV charging from a viewpoint of system. • An analytical model of the overall value of EV charging was presented. • A model was proposed to calculate the value of emission reduction by EV. • A model to evaluate the improvement in new energy utilization was given. • A utilization mechanism apt to overall optimization was proposed. - Abstract: Electric Vehicle (EV) can save energy while reducing emissions and has thus attracted the attention of both academics and industry. The cost and benefit of charging are one of the key issues in relation to EV development that has been researched extensively. But many studies are carried out from a viewpoint of some local entities rather than a global system, focus on specific types or aspects of EV charging, or use mixed models that can only be computed by computer simulation and lack physical transparency. This paper illuminated that it is necessary to consider the value of EV charging on a system scale. In order to achieve this, it presents an analytical model for analyzing the overall value of EVs, an analysis model to evaluate the reduction of pollutions relevant to photovoltaic power, and a model to transfer the intrinsic savings of wind power to the off-peak charging loads. It is estimated that EV charging has a significant positive value, providing the basis for enhanced EV subsidies. Accordingly, a utilization mechanism apt to optimize globally is proposed, upon which sustainable business models can be formed by providing adequate support, including the implementation of a peak–valley tariff, charging subsidies and one-time battery subsidies. This utilization mechanism, by taking full advantage of the operation system of power utilities to provide basic support and service, may provide new approaches to the development of EVs. The method proposed here is of important value for the systematic considerations about EV development and maybe can help broaden the

  18. Description of bipolar charge transport in polyethylene using a fluid model with a constant mobility: model prediction

    International Nuclear Information System (INIS)

    We present a conduction model aimed at describing bipolar transport and space charge phenomena in low density polyethylene under dc stress. In the first part we recall the basic requirements for the description of charge transport and charge storage in disordered media with emphasis on the case of polyethylene. A quick review of available conduction models is presented and our approach is compared with these models. Then, the bases of the model are described and related assumptions are discussed. Finally, results on external current, trapped and free space charge distributions, field distribution and recombination rate are presented and discussed, considering a constant dc voltage, a step-increase of the voltage, and a polarization-depolarization protocol for the applied voltage. It is shown that the model is able to describe the general features reported for external current, electroluminescence and charge distribution in polyethylene

  19. Conformational transitions and stop-and-go nanopore transport of single-stranded DNA on charged graphene

    Science.gov (United States)

    Shankla, Manish; Aksimentiev, Aleksei

    2014-10-01

    Control over interactions with biomolecules holds the key to applications of graphene in biotechnology. One such application is nanopore sequencing, where a DNA molecule is electrophoretically driven through a graphene nanopore. Here we investigate how interactions of single-stranded DNA and a graphene membrane can be controlled by electrically biasing the membrane. The results of our molecular dynamics simulations suggest that electric charge on graphene can force a DNA homopolymer to adopt a range of strikingly different conformations. The conformational response is sensitive to even very subtle nucleotide modifications, such as DNA methylation. The speed of DNA motion through a graphene nanopore is strongly affected by the graphene charge: a positive charge accelerates the motion, whereas a negative charge arrests it. As a possible application of the effect, we demonstrate stop-and-go transport of DNA controlled by the charge of graphene. Such on-demand transport of DNA is essential for realizing nanopore sequencing.

  20. Dynamic analysis of the mechanical systems vibrating transversally in transportation

    Directory of Open Access Journals (Sweden)

    A. Buchacz

    2007-01-01

    Full Text Available Purpose: Purpose of this paper is analysis and modelling of mechanical systems in transportation. Thecontemporary technical problems are lashed with high work demands such as high speeds of mechanisms, usinglower density materials, high precision of work, etc. The main objective of this thesis was the dynamical analysiswith taking into consideration the interaction between main motion and local vibrations during the model isloaded by transverse forces.Design/methodology/approach: Equations of motion were derived by classical methods, the Lagrangeequations with generalized coordinates and generalized velocities assumed as orthogonal projections ofindividual coordinates and velocities of the beam and manipulators to axes of the global inertial frame.Findings: Presented mathematical model of the transversally vibrating systems in planar transportation can beput to use to derivation of the dynamical flexibility of these systems, moreover those equations are the startingpoint to the analysis of complex systems. In particular we can use those equations to derivation of the substitutedynamical flexibility of multibody systems.Research limitations/implications: There were considered mechanical systems vibrating transversally in termsof plane motion. Next problem of dynamical analysis is the analysis of systems in non-planar transportation andsystems loaded by longitudinal forces.Practical implications: Results of this thesis can be put to use into all machines and mechanisms running intransportation such as wind power plants, high speed turbines, rotors, manipulators and in aerodynamics issues,etc. Some results ought to be modified and adopted to appropriate models.Originality/value: High requirements applying to parameters of work of machines and mechanisms are causedthe new research and new ways of modelling and analyzing those systems. One of these ways are presented inthis thesis. There was defined the transportation effect for models vibrating