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Sample records for charge transport properties

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. 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.

  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. 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

  9. 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...

  10. Charge transport in polymeric transistors

    Directory of Open Access Journals (Sweden)

    Alberto Salleo

    2007-03-01

    Full Text Available Polymeric semiconductors have attracted much attention because of their possible use as active materials in printed electronics. Thin-film transistors (TFTs are a convenient tool for studying charge-transport physics in conjugated polymers. Two families of materials are reviewed here: fluorene copolymers and polythiophenes. Because charge transport is highly anisotropic in molecular conductors, the electrical properties of conjugated polymers are strongly dependent on microstructure. Molecular weight, polydispersity, and regioregularity all affect morphology and charge-transport in these materials. Charge transport models based on microstructure are instrumental in identifying the electrical bottlenecks in these materials.

  11. 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

  12. 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

  13. 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.)

  14. 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

  15. Charge transport properties of bulk Ta3N5 from first principles

    Science.gov (United States)

    Morbec, Juliana M.; Galli, Giulia

    2016-01-01

    Tantalum nitride is considered a promising material for photoelectrochemical water splitting, however, its charge transport properties remain poorly understood. We investigated polaronic and band transport in Ta3N5 using first-principles calculations. We first studied the formation of small polarons using density-functional theory (DFT) including DFT +U and hybrid functionals. We found that electron small polarons may occur but hole polarons are not energetically favorable. The estimated polaronic mobility for electrons is at least three orders of magnitude smaller than that measured in Ta3N5 films, suggesting that the main transport mechanism for both electrons and holes is bandlike. Since band transport is strongly affected by the carrier effective masses, and Ta3N5 is known to have large electron and hole effective masses, we also investigated whether substitutional impurities or strain may help lower the effective masses. We found a significant reduction in both electron and hole effective masses (up to 17% for electrons and 39% for holes) under applied strain, which may lead to a substantial improvement (up to 30% for electrons and 15% for holes) in the carrier mobilities.

  16. Dynamical- and static-disorder effects on charge transport property of organic semiconductors

    Science.gov (United States)

    Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

    2014-03-01

    In comparison with inorganic materials, electron transfer energy of typical organic semiconductors is small in the range of 10 - 100meV, which is comparable to the magnitude of dynamical disorder of transfer energy originating from the thermal fluctuations of molecular motions. Furthermore, the static disorder inevitably exists in realistic organic devices and disturbs the transport of charge carrier. To clarify the influence of the dynamical and static disorders on the mobility, we employ a realistic static-disorder potential, which is deduced from the data obtained by electron-spin-resonance spectroscopy. We evaluate the carrier mobilities of pentacene and rubrene semiconductors under the realistic situation, using our time-dependent wave-packet diffusion method. In this methodology, we carry out the quantum-mechanical time-evolution calculations of wave packets and the classical molecular dynamics simulations simultaneously. We clarify the relation between the charge transport property and these disorders. We will talk about these results in my presentation. This work was supported by JST, PRESTO, and a Grant-in-Aid for Scientific Research from the JSPS.

  17. Local charge transport properties of hydrazine reduced monolayer graphene oxide sheets prepared under pressure condition

    DEFF Research Database (Denmark)

    Ryuzaki, Sou; Meyer, Jakob Abild Stengaard; Petersen, Søren Vermehren;

    2014-01-01

    Charge transport properties of chemically reduced graphene oxide (RGO) sheets prepared by treatment with hydrazine were examined using conductive atomic force microscopy. The current-voltage (I-V) characteristics of monolayer RGO sheets prepared under atmospheric pressure followed an exponentially...... increase due to 2D variable-range hopping conduction through small graphene domains in an RGO sheet containing defect regions of residual sp3carbon clusters bonded to oxygen groups, whereas RGO sheets prepared in a closed container under moderate pressure showed linear I-V characteristics...... with a conductivity of 267.2-537.5S/m. It was found that the chemical reduction under pressure results in larger graphene domains (sp2networks) in the RGO sheets when compared to that prepared under atmospheric pressure, indicating that the present reduction of GO sheets under the pressure is one of the effective...

  18. Charge Transport in Molecular Junctions: A Study of Level-Alignment, Thermoelectric Properties, and Environmental Effects

    Science.gov (United States)

    Kotiuga, Michele

    Here, we use and develop first-principles methods based on density functional theory (DFT) and beyond to understand and predict charge transport phenomena in the novel class of nanostructured devices: molecular junctions. Molecular junctions, individual molecules contacted to two metallic leads, which can be systematically altered by modifying the chemistry of each component, serve as test beds for the study of transport at the nanoscale. To date, various experimental methods have been designed to reliably assemble and measure transport properties of molecular junctions. Furthermore, theoretical methods built on DFT designed to yield quantitative agreement with these experiments for certain classes of molecular junctions have been developed. In order to gain insight into a broader range of molecular junctions and environmental effects associated with the surrounding solution, this dissertation will employ, explore and extend first-principles DFT calculations coupled with approximate self-energy corrections known to yield quantitative agreement with experiments for certain classes of molecular junctions. To start we examine molecular junctions in which the molecule is strongly hybridized with the leads: a challenging limit for the existing methodology. Using a physically motivated tight-binding model, we find that the experimental trends observed for such molecules can be explained by the presence of a so-called "gateway" state associated with the chemical bond that bridges the molecule and the lead. We discuss the ingredients of a self-energy corrected DFT based approach to quantitatively predict conductance in the presence of these hybridization effects. We also develop and apply an approach to account for the surrounding environment on the conductance, which has been predominantly ignored in past transport calculations due to computational complexity. Many experiments are performed in a solution of non-conducting molecules; far from benign, this solution is known

  19. Microscopic Charge Density Wave Transport

    NARCIS (Netherlands)

    Slot, Erwin

    2005-01-01

    This thesis describes the work performed on crystals with a phase transition to a Charge-Density Wave (CDW). The electrical transport properties change when crystal sizes are smaller than characteristic length scales for CDWs, typically 1 micrometer. In contrast to metals, semiconductors and superco

  20. Point Mutations Effects on Charge Transport Properties of the Tumor-Suppressor Gene p53

    OpenAIRE

    Shih, Chi-Tin; Roche, Stephan; Römer, Rudolf A.

    2007-01-01

    We report on a theoretical study of point mutations effects on charge transfer properties in the DNA sequence of the tumor-suppressor p53 gene. On the basis of effective single-strand or double-strand tight-binding models which simulate hole propagation along the DNA, a statistical analysis of charge transmission modulations associated with all possible point mutations is performed. We find that in contrast to non-cancerous mutations, mutation hotspots tend to result in significantly weaker {...

  1. Solution processable semiconductor thin films: Correlation between morphological, structural, optical and charge transport properties

    Science.gov (United States)

    Isik, Dilek

    This Ph.D. thesis is a result of multidisciplinary research bringing together fundamental concepts in thin film engineering, materials science, materials processing and characterization, electrochemistry, microfabrication, and device physics. Experiments were conducted by tackling scientific problems in the field of thin films and interfaces, with the aim to correlate the morphology, crystalline structure, electronic structure of thin films with the functional properties of the films and the performances of electronic devices based thereon. Furthermore, novel strategies based on interfacial phenomena at electrolyte/thin film interfaces were explored and exploited to control the electrical conductivity of the thin films. Three main chemical systems were the object of the studies performed during this Ph.D., two types of organic semiconductors (azomethine-based oligomers and polymers and soluble pentacene derivatives) and one metal oxide semiconductor (tungsten trioxide, WO3). To explore the morphological properties of the thin films, atomic force microscopy was employed. The morphological properties were further investigated by hyperspectral fluorescence microscopy and tentatively correlated to the charge transport properties of the films. X-ray diffraction (Grazing incidence XRD, GIXRD) was used to investigate the crystallinity of the film and the effect of the heat treatment on such crystallinity, as well as to understand the molecular arrangement of the organic molecules in the thin film. The charge transport properties of the films were evaluated in thin film transistor configuration. For electrolyte gated thin film transistors, time dependent transient measurements were conducted, in parallel to more conventional transistor characterizations, to explore the specific effects played on the gating by the anion and cation constituting the electrolyte. The capacitances of the electrical double layers at the electrolyte/WO3 interface were obtained from

  2. Charge transport properties of graphene: Effects of Cu-based gate electrode

    Science.gov (United States)

    Tang, Qide; Zhang, C. X.; He, Chaoyu; Tang, Chao; Zhong, Jianxin

    2016-07-01

    Using the first-principles nonequilibrium Green's function method, we study effects of Cu and Ni@Cu used as the Cu-based gate electrode on the charge transport of graphene in the field effect transistors (FET). We find that the transmission of graphene decreases with both Cu and Ni@Cu absorbed in the scatter region. Especially, noticeable transmission gaps are present around the Femi level. The transmission gaps are still effective, and considerable cut-off regions are found under the non-equilibrium environment. The Ni@Cu depresses the transmission of graphene more seriously than the Cu and enlarges the transmission gap in armchair direction. The effects on the charge transport are attributed to the redistribution of electronic states of graphene. Both Cu and Ni@Cu induce the localization of states, so as to block the electronic transport. The Ni@Cu transforms the interaction between graphene and gate electrode from the physisorption to the chemisorption, and then induces more localized states, so that the transmission decreases further. Our results suggest that besides being used to impose gate voltage, the Cu-based gate electrode itself will have a considerable effect on the charge transport of graphene and induces noticeable transmission gap in the FET.

  3. Effect of medium on charge transport properties of modified poly(dA)-poly(dT) DNA molecular wire

    Science.gov (United States)

    Suhendro, D. K.; Yudiarsah, E.; Saleh, R.

    2014-09-01

    By using tight binding Hamiltonian approach, the medium's effect on charge transport properties of modified poly(dA)-poly(dT) DNA molecular wire is studied. The DNA sequences used are modified poly(dA)-poly(dT) sequence by replacing 50 base pairs randomly with GC or CG base pairs. The DNA is contacted by metallic leads at both ends. The medium's effect on DNA is modeled as backbone onsite energy disorder. The DNA is taken to be at room temperature. The charge transport properties of the two sequences are studied by calculating the transmission probabilities of the charges using the scattering and transfer matrix methods simultaneously. Then the current-voltage (I-V) characteristics are calculated from the transmission probabilities using the Landauer-Büttiker Formalism. The theoretical differential conductance curve is then calculated from the I-V characteristic curve. The I-V results show that as the backbone disorder strength increases, the maximum current decreases for both sequences. However, the threshold voltage can increase or decrease with increasing backbone disorder depending on the sequence. The transmission results show that the position of transmission peaks changed with backbone disorder strength. Comparison with previous published results using poly(dG)-poly(dC) sequence shows that in contrast to that sequence, backbone disorder can decrease the threshold voltage in one of the sequences studied. This may point to a new understanding of the interplay between environmental and sequence disorder effect on charge transport in DNA.

  4. 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.

  5. 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...

  6. Theoretical investigation of fluorination effect on the charge carrier transport properties of fused anthra-tetrathiophene and its derivatives.

    Science.gov (United States)

    Yin, Jun; Chaitanya, Kadali; Ju, Xue-Hai

    2016-03-01

    The crystal structures of known anthra-tetrathiophene (ATT) and its three fluorinated derivatives (ATT1, ATT2 and ATT3) were predicted by the Monte Carlo-simulated annealing method with the embedded electrostatic potential (ESP) charges. The most stable crystal structures were further optimized by the density functional theory with the dispersion energy (DFT-D) method. In addition, the effect of the electron-withdrawing fluorine atoms on the molecular geometry, molecular stacking, electronic and transport properties of title compounds were investigated by the density functional theory and the incoherent charge-hopping model. The calculated results show that the introduction of fluorine atoms does not affect the molecular planarity but decreases the HOMO-LUMO gap, which is beneficial to electron injection and provides more charge carrier stabilization. The improved electron mobility from ATT to ATT3 is attributed to the favorable molecular packing with strong π-π interaction and the short stacking distance. ATT2 and ATT3 exhibit remarkable angular dependence of mobilities and anisotropic behaviors. The band structures reveal that all the paths with larger transfer integrals are along the directions of large dispersions in the valence band (VB) and conduction band (CB). ATT3 has the largest electron mobility (0.48 cm(2)V(-1)s(-1)) among the four compounds, indicating that fluorination is an effective approach to improve electron transport. PMID:26774641

  7. Twisting motion dependent charge transport properties of poly(dG)-poly(dC) DNA molecular wire

    Science.gov (United States)

    Yudiarsah, E.; Suhendro, D. K.; Saleh, R.

    2014-09-01

    The effect of twisting motion of bases on charge transport properties of Poly(dG)-Poly(dC) DNA molecule have been studied. The effect is studied by taking into account twisting angle dependent on-site energy and hopping constant in the tight binding Hamiltonian of double-strand DNA model. The average kinetic energy of twisting motions is assumed to be proportional to system temperature. Transfer matrix method has been used in calculating the localization length of the molecule. The results show that increase in temperature shortens the localization length. The transmission probability of charge on the molecule was calculated using transfer and scattering matrix methods simultaneously on the DNA model sandwiched in between two metallic electrodes. The contacts between molecule and both electrodes were chosen such that the presence of metallic electrodes does not change the main features of transport properties of the molecule much. The temperature tends to widen the area with zero transmission around the Fermi energy. The I-V characteristic of the molecule connected to electrodes has been calculated from transmission probability within Landauer-Buttiker Formalism by assuming the voltage drops symmetrically at the contacts. The results show that temperature lowers the magnitude of the I-V characteristic and the differential conductance. In addition to that, the I-V characteristic and the differential conductance also decrease in magnitude with lowering the twisting frequency.

  8. Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach.

    Science.gov (United States)

    Navarro, Amparo; Fernández-Liencres, M Paz; Peña-Ruiz, Tomás; García, Gregorio; Granadino-Roldán, José M; Fernández-Gómez, Manuel

    2016-08-01

    Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a prominent effect on the electron reorganization energy that decreases ∼0.2 eV from perylene to the new carbon five-membered ring derivative. Heteroatom substitution with boron also revealed to lower the LUMO energy level and increase the electron affinity, therefore lowering the electron injection barrier compared to perylene. Since the rate of the charge transfer between two molecules in columnar discotic systems is strongly dependent on the orientation of the stacked cores, the total energy and transfer integral of a dimer as a disc is rotated with respect to the other along the stacking axis have been predicted. Aimed at obtaining a more realistic approach to the bulk structure, the molecular geometry of clusters made up of five discs was fully optimized, and charge transfer rate and mobilities were estimated for charge transport along a one dimensional pathway. Heteroatom substitution with selenium yields electron transfer integral values ∼0.3 eV with a relative disc orientation of 25°, which is the preferred angle according to the dimer energy profile. All the results indicate that the tetraselenium-substituted derivative, not synthetized so far, could be a promising candidate among those studied in this work for the fabrication of n-type semiconductors based on columnar discotic liquid crystals materials. PMID:27497578

  9. Characterization of the charge-carrier transport properties of IIa-Tech SC diamond for radiation detection applications

    International Nuclear Information System (INIS)

    Single crystal (SC) diamond has since years demonstrated its interest for the fabrication of radiation detectors, especially where the material properties are providing superior interests with respect to the detection application. Among the industrial suppliers able to provide on a commercial basis high-grade single crystal diamond, IIa-Tech has recently appeared in the market as a new player. The aim of this paper is to assess the quality of one SC sample when characterized under α-particles for the measurement of its carrier transport properties. We observed that full charge collection could be observed at biases as low as 0.11 V/μm with no space charge build-up (conventionally typical bias values used are closer to 1 V/μm). Velocity reached values of 38 μm/ns and 53 μm/ns for electrons and holes, respectively (values probed at 0.33 V/μm). Similarly, the α detection spectrum displays a sharp line demonstrating the good uniformity of the material over its surface. By combining the measurements with more conventional optical observations such as birefringence and cathodoluminescence spectroscopy, it comes that the material demonstrates its ability to be used as a detector, with properties that can compare with the highest grade materials today available on the market. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Mechanical and charge transport properties of alkanethiol self-assembled monolayers on Au (111) surface: The Role of Molecular Tilt

    Energy Technology Data Exchange (ETDEWEB)

    Mulleregan, Alice; Qi, Yabing; Ratera, Imma; Park, Jeong Y.; Ashby, Paul D.; Quek, Su Ying; Neaton, J. B.; Salmeron, Miquel

    2007-11-12

    The relationship between charge transport and mechanical properties of alkanethiol self-assembled monolayers (SAM) on Au(111) films has been investigated using an atomic force microscope with a conductive tip. Molecular tilts induced by the pressure applied by the tip cause stepwise increases in film conductivity. A decay constant {beta} = 0.57 {+-} 0.03 {angstrom}{sup -1} was found for the current passing through the film as a function of tip-substrate separation due to this molecular tilt. This is significantly smaller than the value of {approx} 1 {angstrom}{sup -1} found when the separation is changed by changing the length of the alkanethiol molecules. Calculations indicate that for isolated dithiol molecules S-bonded to hollow sites, the junction conductance does not vary significantly as a function of molecular tilt. The impact of S-Au bonding on SAM conductance is discussed.

  11. 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.)

  12. 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

  13. Investigating the effect of acene-fusion and trifluoroacetyl substitution on the electronic and charge transport properties by density functional theory

    Directory of Open Access Journals (Sweden)

    Ahmad Irfan

    2016-05-01

    Full Text Available We designed novel derivatives of 4,6-di(thiophen-2-ylpyrimidine (DTP. Two benchmark strategies including mesomerically deactivating group, as well as the extension of π-conjugation bridge (acene-fusion have been employed to enhance the electrical and charge transport properties. The density functional theory (DFT and time dependent DFT methods have been used to get optimized geometries in ground and first excited state, respectively. The structural properties (geometric parameters, electronic properties (frontier molecular orbitals; highest occupied and lowest unoccupied molecular orbitals, photophysical properties (absorption, fluorescence and phosphorescence, and important charge transport properties are discussed to establish a molecular level structure–property relationship among these derivatives. Our calculated electronic spectra i.e., absorption, fluorescence and phosphorescence have been found in good semi-quantitative agreement with available experimental data. All the newly designed derivatives displayed significantly improved electron injection ability than those of the parent molecule. The values of reorganization energy and transfer integral elucidate that DTP is a potential hole transport material. Based on our present investigation, it is expected that the naphtho and anthra derivatives of DTP are better hole transporters than those of some well-known charge transporter materials like naphthalene, anthracene, tetracene and pentacene.

  14. The charge neutral doping effects of Ca-La on the transport and superconductivity properties in Nd-123 superconductors

    Directory of Open Access Journals (Sweden)

    S. R. Ghorbani

    2008-12-01

    Full Text Available  Polycrystalline samples of Nd1-xCaxBa2-xLaxCu3O7-δ (with 0.0 ≤ x ≤ 0.15 were prepared by the standard solid state method. The transport and superconducting properties have been studied by the resistivity and thermoelectric power measurements as a function of temperature and doping concentration. With increasing doping concentration, the resistivity was increased and thermoelectric power was constant at high temperature while it was increased slightly at low temperature. The critical temperature Tc was linearly decreased with increasing doping. The density of statets at Fermi energy g(εF were obtained from the thermoelectric power. They were decreased as x increased. The thermoelectric power as a function of temperature was analyzed in terms of the phenomenological narrow band model. The model well described thermoelectric power data up to near the critical temperature. Severl property results such as the resistivity ρ(x,T, thermoelectric power S(x,T, critical temperature Tc(x , and g(εF variation suggested that the hole localization is the main reason of superconducting suppression in the charge neutral doped cuprates.

  15. Long-range correlations and charge transport properties of DNA sequences

    Energy Technology Data Exchange (ETDEWEB)

    Liu Xiaoliang, E-mail: xlliucsu@yahoo.com.c [College of Physical Science and Technology and College of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China); Ren, Yi [College of Physical Science and Technology and College of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China); Xie, Qiong-tao [Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of Education (Hunan Normal University), Changsha 410081 (China); Deng, Chao-sheng; Xu, Hui [College of Physical Science and Technology and College of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China)

    2010-04-26

    By using Hurst's analysis and transfer approach, the rescaled range functions and Hurst exponents of human chromosome 22 and enterobacteria phage lambda DNA sequences are investigated and the transmission coefficients, Landauer resistances and Lyapunov coefficients of finite segments based on above genomic DNA sequences are calculated. In a comparison with quasiperiodic and random artificial DNA sequences, we find that lambda-DNA exhibits anticorrelation behavior characterized by a Hurst exponent 0.5properties to some extent but the correlations are not strong enough to maintain the scale invariance properties.

  16. Charge Transport Properties of Polyaniline-gold/graphite Oxide Composite Films

    Energy Technology Data Exchange (ETDEWEB)

    Basavaraja, C.; Kim, Won Jung; Thinh, P. X.; Huh, Do Sung [Inje University, Kimhae (Korea, Republic of)

    2012-02-15

    A polyaniline-gold composite was prepared via the polymerization of aniline hydrochloride with or without water-soluble graphite oxide using auric acid as an oxidant. The reaction products were characterized using Xray photoelectron spectroscopy. The thermal stability and embedded crystallinity of the composites were also investigated using thermogravimetric and X-ray diffraction analyses. The electrical properties of the composites were examined using cyclic voltammetric measurements at room temperature and temperature-dependent DC conductivity within 300-500 K. Compared to pure graphene oxide and polyaniline-gold composite, the polyaniline-gold-graphene composite exhibited higher crystallinity and thermal stability, and higher current density response under equivalent conditions.

  17. Morphology and Transport Properties of Phosphonium-containing Styrenic Ionomers with Random Charge Placement

    Science.gov (United States)

    Beyer, Rick; Stokes, Kristoffer; Orlicki, Joshua; Ye, Yuesheng; Elabd, Yossef

    2011-03-01

    Alkaline fuel cell (AFC) technology is currently of interest for portable power supplies due in part to the use of less expensive non-noble metals (nickel, iron, cobalt) as the catalyst material. Wide-spread use of the AFC has been prevented by the use of aqueous KOH as the liquid electrolyte, easily poisoned by CO2 . Development of an semipermeable polymeric alkali anion exchange membrane (AEM) would significantly improve the usefulness of AFCs. We have synthesized a series of random copolymers of styrene and p-vinylbenzyl-trimethylphosphonium chloride, via RAFT polymerization. Detailed 1 H-NMR analysis of the polymerization conditions allowed us to refine our approach and generate materials with random monomer addition. 1 H-NMR was also used to quantify ion contents, which range from 15 mol% to 100 mol%. In this presentation, we will review the synthesis and characterization of these novel cationomers, and then report on their anion transport characteristics and morphological behavior as characterized via SAXS and TEM.

  18. Carrier transport and charge transfer properties in coumarin-doped bulk-heterojunction materials

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, T.; Maeda, T.; Yamashita, K. [Graduate School of Science and Technology, Kyoto Institute of Technology, Kyoto 606-8585 (Japan); Yanagi, H. [Graduate School of Materials Science, Nara Institute of Science and Technology, Nara 630-0192 (Japan)

    2012-12-15

    We have investigated photovoltaic properties of organic solar cells using polymer-fullerene bulk-heterojunction films doped with coumarin dyes. Whereas the coumarin molecules used in this study had similar absorption bands, evident difference was observed in the open-circuit voltage as well as in the short-circuit current. In particular, the doping of coumarin 307 was found to cause a distinct enhancement in the open-circuit voltage. On the other hand, the doping of coumarin 30 gave a serious degradation in the device performance. These results were strongly associated with calculated molecular energies of the doped dyes, especially with the highest occupied molecular orbital energy. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. 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)

  20. Difference in charge transport properties of Ni-Nb thin films with native and artificial oxide

    Energy Technology Data Exchange (ETDEWEB)

    Trifonov, A. S., E-mail: trifonov.artem@phys.msu.ru [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, 1(2), Leninskie Gory, GSP-1, Moscow 119991 (Russian Federation); Physics Faculty, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Lubenchenko, A. V. [Department of General Physics and Nuclear Fusion, National Research University ' Moscow Power Engineering Institute,' Moscow 111250 (Russian Federation); Polkin, V. I. [National University of Science and Technology “MISiS,” Moscow 119049 (Russian Federation); Pavolotsky, A. B. [Chalmers University of Technology, Göteborg 41296 (Sweden); Ketov, S. V.; Louzguine-Luzgin, D. V. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2015-03-28

    Here, we report on the properties of native and artificial oxide amorphous thin film on a surface of an amorphous Ni-Nb sample. Careful measurements of local current-voltage characteristics of the system Ni-Nb / NiNb oxide/Pt, were carried out in contact mode of an atomic force microscope. Native oxide showed n-type conductivity, while in the artificial one exhibited p-type one. The shape of current-voltage characteristic curves is unique in both cases and no analogical behavior is found in the literature. X-ray photoelectron spectroscopy (XPS) measurements were used to detect chemical composition of the oxide films and the oxidation state of the alloy components. Detailed analysis of the XPS data revealed that the structure of natural Ni-Nb oxide film consists of Ni-NbO{sub x} top layer and nickel enriched bottom layer which provides n-type conductivity. In contrast, in the artificial oxide film Nb is oxidized completely to Nb{sub 2}O{sub 5}, Ni atoms migrate into bulk Ni-Nb matrix. Electron depletion layer is formed at the Ni-Nb/Nb{sub 2}O{sub 5} interface providing p-type conductivity.

  1. 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.)

  2. 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.

  3. 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

  4. 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...

  5. Mean carrier transport properties and charge collection dynamics of single-crystal, natural type IIa diamonds from ion-induced conductivity measurements

    Energy Technology Data Exchange (ETDEWEB)

    Han, S.S.

    1993-09-01

    Ion-induced conductivity has been used to investigate the detector characteristics of diamond detectors. Both integrated-charge, and time-resolved current measurements were performed to examine the mean carrier transport properties of diamond and the dynamics of charge collection under highly-localized and high-density excitation conditions. The integrated-charge measurements were conducted with a standard pulse-counting system with {sup 241}Am radioactivity as the excitation source for the detectors. The time-resolved current measurements were performed using a 70 GHz random sampling oscilloscope with the detectors incorporated into high-speed microstrip transmission lines and the excitation source for these measurements was an ion beam of either 5-MeV He{sup +} or 10-MeV Si{sup 3+}. The detectors used in both experiments can be described as metal-semiconductor-metal (MSM) devices where a volume of the detector material is sandwiched between two metal plates. A charge collection model was developed to interpret the integrated-charge measurements which enabled estimation of the energy required to produce an electron-hole pair ({epsilon}{sub di}) and the mean carrier transport properties in diamond, such as carrier mobility and lifetime, and the behavior of the electrical contacts to diamond.

  6. Modeling charge transport in organic photovoltaic materials.

    Science.gov (United States)

    Nelson, Jenny; Kwiatkowski, Joe J; Kirkpatrick, James; Frost, Jarvist M

    2009-11-17

    The performance of an organic photovoltaic cell depends critically on the mobility of charge carriers within the constituent molecular semiconductor materials. However, a complex combination of phenomena that span a range of length and time scales control charge transport in disordered organic semiconductors. As a result, it is difficult to rationalize charge transport properties in terms of material parameters. Until now, efforts to improve charge mobilities in molecular semiconductors have proceeded largely by trial and error rather than through systematic design. However, recent developments have enabled the first predictive simulation studies of charge transport in disordered organic semiconductors. This Account describes a set of computational methods, specifically molecular modeling methods, to simulate molecular packing, quantum chemical calculations of charge transfer rates, and Monte Carlo simulations of charge transport. Using case studies, we show how this combination of methods can reproduce experimental mobilities with few or no fitting parameters. Although currently applied to material systems of high symmetry or well-defined structure, further developments of this approach could address more complex systems such anisotropic or multicomponent solids and conjugated polymers. Even with an approximate treatment of packing disorder, these computational methods simulate experimental mobilities within an order of magnitude at high electric fields. We can both reproduce the relative values of electron and hole mobility in a conjugated small molecule and rationalize those values based on the symmetry of frontier orbitals. Using fully atomistic molecular dynamics simulations of molecular packing, we can quantitatively replicate vertical charge transport along stacks of discotic liquid crystals which vary only in the structure of their side chains. We can reproduce the trends in mobility with molecular weight for self-organizing polymers using a cheap, coarse

  7. A theoretical study of the electronic structure and charge transport properties of thieno[2,3-b]benzothiophene based derivatives.

    Science.gov (United States)

    Wang, Lijuan; Li, Tao; Shen, Yuxin; Song, Yan

    2016-03-28

    The electronic structure and charge transport properties of thieno[2,3-b]benzothiophene (TBT) and its eight derivatives are investigated via density functional theory (DFT). The impact of different π-bridge spacers (1, the dimer of TBT; 2, vinyl; 3, phenyl; and 4, tetrafluorophenyl) and substituents (5, phenyl; 6, biphenyl; 7, naphthalenyl; and 8, benzothiophenyl) on the geometric structures, reorganization energy, absorption spectra, frontier orbitals, ionization potentials (IPs) and electron affinities (EAs) of all the compounds is explored to establish the relationship between the structure and properties. All the compounds show wide band gaps and low-lying HOMOs, and the IPs of all the TBT derivatives are higher than that of pentacene. The crystal packing interactions, transfer integrals and charge carrier mobilities of compounds 1, 2, 4 and 6 are also calculated. The calculated results demonstrated that these kinds of materials may exhibit good environmental stability and high charge mobility due to their large conjugated planar structure, close π-stacking arrangement, and multiple intermolecular interactions. For compounds 1 and 4, the predicted hole mobility is as high as 0.28 and 0.17 cm(2) V(-1) s(-1), respectively, indicating that both of them benefit hole transport, while compounds 2 and 6 exhibit balanced charge transport properties with the hole and electron mobilities of 0.012 and 0.013 cm(2) V(-1) s(-1), respectively, for compound 2. Compound 6 shows a relatively lower charge mobilities of 10(-3) order of magnitude for both holes and electrons due to the larger reorganization energy and lower transfer integrals. PMID:26931147

  8. Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Bag, Saientan; Maingi, Vishal; Maiti, Prabal K., E-mail: maiti@physics.iisc.ernet.in [Department of Physics, Center for Condensed Matter Theory, Indian Institute of Science, Bangalore 560012 (India); Yelk, Joe; Glaser, Matthew A.; Clark, Noel A. [Department of Physics, University of Colorado, Boulder, Colorado 80309 (United States); Walba, David M. [Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309 (United States)

    2015-10-14

    Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. [Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25° having an average inter-molecular separation of ∼5 Å. Interestingly, we find an overall tilt angle of 43° between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column.

  9. Interpreting equilibrium-conductivity and conductivity-relaxation measurements to establish thermodynamic and transport properties for multiple charged defect conducting ceramics.

    Science.gov (United States)

    Zhu, Huayang; Ricote, Sandrine; Coors, W Grover; Kee, Robert J

    2015-01-01

    A model-based interpretation of measured equilibrium conductivity and conductivity relaxation is developed to establish thermodynamic, transport, and kinetics parameters for multiple charged defect conducting (MCDC) ceramic materials. The present study focuses on 10% yttrium-doped barium zirconate (BZY10). In principle, using the Nernst-Einstein relationship, equilibrium conductivity measurements are sufficient to establish thermodynamic and transport properties. However, in practice it is difficult to establish unique sets of properties using equilibrium conductivity alone. Combining equilibrium and conductivity-relaxation measurements serves to significantly improve the quantitative fidelity of the derived material properties. The models are developed using a Nernst-Planck-Poisson (NPP) formulation, which enables the quantitative representation of conductivity relaxations caused by very large changes in oxygen partial pressure.

  10. Photovoltaic Properties in Interpenetrating Heterojunction Organic Solar Cells Utilizing MoO3 and ZnO Charge Transport Buffer Layers

    Directory of Open Access Journals (Sweden)

    Tetsuro Hori

    2010-11-01

    Full Text Available Organic thin-film solar cells with a conducting polymer (CP/fullerene (C60 interpenetrating heterojunction structure, fabricated by spin-coating a CP onto a C60 deposit thin film, have been investigated and demonstrated to have high efficiency. The photovoltaic properties of solar cells with a structure of indium-tin-oxide/C60/ poly(3-hexylthiophene (PAT6/Au have been improved by the insertion of molybdenum trioxide (VI (MoO3 and zinc oxide charge transport buffer layers. The enhanced photovoltaic properties have been discussed, taking into consideration the ground-state charge transfer between PAT6 and MoO3 by measurement of the differential absorption spectra and the suppressed contact resistance at the interface between the organic and buffer layers.

  11. Localized Charge Carrier Transport Properties of Zn1- x Ni x O/NiO Two-Phase Composites

    Science.gov (United States)

    Joshi, D. C.; Dasari, K.; Nayak, S.; Palai, R.; Suresh, P.; Thota, S.

    2016-04-01

    We report the localized charge carrier transport of two-phase composite Zn1- x Ni x O/NiO (0 ≤ x ≤ 1) using the temperature dependence of ac-resistivity ρ ac(T) across the Néel temperature T N (= 523 K) of nickel oxide. Our results provide strong evidence to the variable range hopping of charge carriers between the localized states through a mechanism involving spin-dependent activation energies. The temperature variation of carrier hopping energy ɛ h(T) and nearest-neighbor exchange-coupling parameter J ij(T) evaluated from the small poleron model exhibits a well-defined anomaly across T N. For all the composite systems, the average exchange-coupling parameter (J ij)AVG nearly equals to 70 meV which is slightly greater than the 60-meV exciton binding energy of pure zinc oxide. The magnitudes of ɛ h (˜0.17 eV) and J ij (˜11 meV) of pure NiO synthesized under oxygen-rich conditions are consistent with the previously reported theoretical estimation based on Green's function analysis. A systematic correlation between the oxygen stoichiometry and, ɛ h(T) and J ij(T) is discussed.

  12. 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...

  13. Semiconductor nanocrystals in photoconductive polymers: Charge generation and charge transport

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ying; Herron, Norman; Suna, A. [Du Pont Co., Wilmington, DE (United States)

    1996-10-01

    A new class of photoconductive polymer composites, based on semiconductor nanocrystals (clusters) and carder-transporting polymers, have been developed. These materials are interesting for their potentials in laser printing, imaging, and photorefractives. We will describe material synthesis, charge transport and charge generation mechanisms. In particular, a model of field-dependent charge generation and separation in nonpolar media (e.g. polymers) will be discussed.

  14. Anisotropic transport and optical spectroscopy study on antiferromagnetic triangular lattice EuCd2As2 : An interplay between magnetism and charge transport properties

    Science.gov (United States)

    Wang, H. P.; Wu, D. S.; Shi, Y. G.; Wang, N. L.

    2016-07-01

    We present anisotropic transport and optical spectroscopy studies on EuCd2As2 . The measurements reveal that EuCd2As2 is a low carrier density semimetal with moderate anisotropic resistivity ratio. The charge carriers experience very strong scattering from Eu magnetic moments, resulting in a Kondo-like increase of resistivity at low temperature. Below the antiferromagnetic transition temperature at TN=9.5 K, the resistivity drops sharply due to the reduced scattering from the ordered Eu moments. Nevertheless, the anisotropic ratio of ρc/ρa b keeps increasing, suggesting that the antiferromagnetic coupling is along the c axis. The optical spectroscopy measurement further reveals, besides an overdamped reflectance plasma edge at low energy, a strong coupling between phonon and electronic continuum. Our study suggests that EuCd2As2 is a promising candidate displaying intriguing interplay among charge, magnetism, and the underlying crystal lattice.

  15. DNA charge transport: Moving beyond 1D

    Science.gov (United States)

    Zhang, Yuqi; Zhang, William B.; Liu, Chaoren; Zhang, Peng; Balaeff, Alexander; Beratan, David N.

    2016-10-01

    Charge transport across novel DNA junctions has been studied for several decades. From early attempts to move charge across DNA double crossover junctions to recent studies on DNA three-way junctions and G4 motifs, it is becoming clear that efficient cross-junction charge migration requires strong base-to-base electronic coupling at the junction, facilitated by favorable pi-stacking. We review recent progress toward the goal of manipulating and controlling charge transport through DNA junctions.

  16. Carbon, Nitrogen, and Chalcogen Substitution Effects on 2,1,3-Benzothiadiazole Derivative: Theoretical Investigations of Electronic,Optical, and Charge Transport Properties

    Institute of Scientific and Technical Information of China (English)

    Bo Hu; Chan Yao; Qing-wei Wang; Hao Zhang; Jian-kang Yu

    2012-01-01

    A series of CH2,NH,O,and Se substituted 2,1,3-benzothiadiazole derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emitting diodes.Both ab initio Hartree-Fock and hybrid density functional methods are used.It is found that adjusting the central aromatic ring by replacing S by CH2,NH,O,and Se makes it possible to fine-tune the electronic,optical,and charge transport properties of the pristine molecule.

  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. 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.

  19. Theoretical investigation of electronic structure and charge transport property of 9,10-distyrylanthracene (DSA) derivatives with high solid-state luminescent efficiency.

    Science.gov (United States)

    Wang, Lijuan; Xu, Bin; Zhang, Jibo; Dong, Yujie; Wen, Shanpeng; Zhang, Houyu; Tian, Wenjing

    2013-02-21

    The electronic structure and charge transport property of 9,10-distyrylanthracene (DSA) and its derivatives with high solid-state luminescent efficiency were investigated by using density functional theory (DFT). The impact of substituents on the optimized structure, reorganization energy, ionization potential (IP) and electronic affinity (EA), frontier orbitals, crystal packing, transfer integrals and charge mobility were explored based on Marcus theory. It was found that the hole mobility of DSA was 0.21 cm(2) V(-1) s(-1) while the electron mobility was 0.026 cm(2) V(-1) s(-1), which were relatively high due to the low reorganization energies and high transfer integrals. The calculated results showed that the charge transport property of these compounds can be significantly tuned via introducing different substituents to DSA. When one electron-withdrawing group (cyano group) was introduced into DSA, DSA-CN exhibited hole mobility of 0.14 cm(2) V(-1) s(-1) which was on the same order of that of DSA. However, the electron mobility of DSA-CN decreased to 8.14 × 10(-4) cm(2) V(-1) s(-1) due to the relatively large reorganization energy and disadvantageous transfer integral. The effect of electron-donating substituents was investigated by introducing methoxy group and tertiary butyl into DSA. DSA-OCH(3) and DSA-TBU showed much lower charge mobility than DSA resulting from the steric hindrance of substituents. On the other hand, both of them exhibited balanced transport properties (for DSA-OCH(3), the hole and electron mobility was 0.0026 and 0.0027 cm(2) V(-1) s(-1); for DSA-TBU, the hole and electron mobility was 0.045 and 0.012 cm(2) V(-1) s(-1)) because of their similar transfer integrals for both hole and electron. DSA and its derivatives were supposed to be one of the most excellent emissive materials for organic electroluminescent applications because of their high charge mobility and high solid-state luminescent efficiency. PMID:23319079

  20. 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...

  1. Particle size dependence on the structural, transport and optical properties of charge-ordered Pr0.6Ca0.4MnO3

    International Nuclear Information System (INIS)

    Structural, transport and optical properties of nano-crystalline Pr0.6Ca0.4MnO3 have been investigated to emphasize on the semiconducting properties of charge-ordered manganite. Rietveld refinement of X-ray diffraction pattern of Pr0.6Ca0.4MnO3 nanoparticles show that due to increase in sintering temperature, MnO6 octahedra elongated along z-direction and compressed in x-y plane. Both Mn–O–Mn angles are found to decrease with increasing sintering temperature. Fourier transform infrared (FTIR) spectroscopy measurements reveal that the stretching and bending vibration of Mn–O–Mn is responsible for the change in Mn–O–Mn bond length and bond angle respectively. With increasing sintering temperature, these vibrations tend to increase, which resulted in the further distortion of MnO6 octahedra. Magnetic measurements suggest that charge ordering is established and system becomes antiferromagnetic with increasing particle size. Resistivity behavior of Pr0.6Ca0.4MnO3 nanoparticles clearly exhibit semiconducting nature of these systems, which is due to the formation of charge-ordered state of Mn3+ and Mn4+. Estimated optical band-gap of ∼3.7 eV for Pr0.6Ca0.4MnO3 nanocrystals, makes it a potential candidate for wide band-gap magnetic semiconductors. - Highlights: • Pr0.6Ca0.4MnO3 nanoparticles have been synthesized via sol–gel route. • Optical properties of charge-ordered Pr0.6Ca0.4MnO3 have been investigated. • Pr0.6Ca0.4MnO3 nanoparticles exhibit wide band-gap (3.7 eV) semiconducting nature. • Potential candidate for wide band-gap magnetic semiconductor device applications

  2. Relating Charge Transport, Contact Properties, and Recombination to Open-Circuit Voltage in Sandwich-Type Thin-Film Solar Cells

    Science.gov (United States)

    Sandberg, Oskar J.; Sundqvist, Anton; Nyman, Mathias; Österbacka, Ronald

    2016-04-01

    To avoid surface recombination at the contacts and ensure efficient charge collection and high open-circuit voltages (VOC) in organic bulk heterojunction and perovskite solar cells, selective contacts with optimized energy levels are needed. However, a detailed theoretical understanding of how the device performance is affected by surface recombination at the contacts is still lacking. In this work, the influence of surface recombination on the open-circuit voltage in sandwich-type solar cells, with optically thin active layers, is clarified using numerical simulations. Furthermore, analytical expressions are derived, directly relating VOC to relevant device parameters, such as surface recombination velocity (Sp), mobility, and active layer thickness. At large Sp, the surface recombination is determined by diffusion-limited transport in the bulk. By reducing Sp, thus increasing the charge selectivity of the electrode, the surface recombination is eventually reduced as the transport becomes limited by interface kinetics at the contact. Depending on the interplay between surface recombination and bulk recombination, and the properties of the contacts, different operating regimes are identified featuring different light ideality factors and thickness dependences.

  3. 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.

  4. 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.

  5. Charge and spin transport in mesoscopic superconductors

    Science.gov (United States)

    Wolf, M J; Hübler, F; Kolenda, S

    2014-01-01

    Summary 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. PMID:24605283

  6. 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

  7. Multiscale modelling of charge transport in organic electronic materials

    Science.gov (United States)

    Nelson, Jenny

    2010-03-01

    Charge transport in disordered organic semiconductors is controlled by a complex combination of phenomena that span a range of length and time scales. As a result, it is difficult to rationalize charge transport properties in terms of material parameters. Until now, efforts to improve charge mobilities in molecular semiconductors have proceeded largely by trial and error rather than through systematic design. However, recent developments have enabled the first predictive simulation studies of charge transport in disordered organic semiconductors. In this presentation we will show how a set of computational methods, namely molecular modelling methods to simulate molecular packing, quantum chemical calculations of charge transfer rates, and Monte Carlo simulations of charge transport can be used to reproduce experimental charge mobilities with few or no fitting parameters. Using case studies, we will show how such simulations can explain the relative values of electron and hole mobility and the effects of grain size, side chains and polymer molecular weight on charge mobility. Although currently applied to material systems of relatively high symmetry or well defined structure, this approach can be developed to address more complex systems such as multicomponent solids and conjugated polymers.

  8. 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.

  9. 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 ...

  10. 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

  11. 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...

  12. 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...

  13. 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.

  14. 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...

  15. 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 t...

  16. 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

  17. 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.

  18. Computational Analysis of the Optical and Charge Transport Properties of Ultrasonic Spray Pyrolysis-Grown Zinc Oxide/Graphene Hybrid Structures.

    Science.gov (United States)

    Ali, Amgad Ahmed; Hashim, Abdul Manaf

    2016-12-01

    We demonstrate a systematic computational analysis of the measured optical and charge transport properties of the spray pyrolysis-grown ZnO nanostructures, i.e. nanosphere clusters (NSCs), nanorods (NRs) and nanowires (NWs) for the first time. The calculated absorbance spectra based on the time-dependent density functional theory (TD-DFT) shows very close similarity with the measured behaviours under UV light. The atomic models and energy level diagrams for the grown nanostructures were developed and discussed to explain the structural defects and band gap. The induced stresses in the lattices of ZnO NSCs that formed during the pyrolysis process seem to cause the narrowing of the gap between the energy levels. ZnO NWs and NRs show homogeneous distribution of the LUMO and HOMO orbitals all over the entire heterostructure. Such distribution contributes to the reduction of the band gap down to 2.8 eV, which has been confirmed to be in a good agreement with the experimental results. ZnO NWs and NRs exhibited better emission behaviours under the UV excitation as compared to ZnO NSCs and thin film as their visible range emissions are strongly quenched. Based on the electrochemical impedance measurement, the electrical models and electrostatic potential maps were developed to calculate the electron lifetime and to explain the mobility or diffusion behaviours in the grown nanostructure, respectively. PMID:27173675

  19. Computational Analysis of the Optical and Charge Transport Properties of Ultrasonic Spray Pyrolysis-Grown Zinc Oxide/Graphene Hybrid Structures

    Science.gov (United States)

    Ali, Amgad Ahmed; Hashim, Abdul Manaf

    2016-05-01

    We demonstrate a systematic computational analysis of the measured optical and charge transport properties of the spray pyrolysis-grown ZnO nanostructures, i.e. nanosphere clusters (NSCs), nanorods (NRs) and nanowires (NWs) for the first time. The calculated absorbance spectra based on the time-dependent density functional theory (TD-DFT) shows very close similarity with the measured behaviours under UV light. The atomic models and energy level diagrams for the grown nanostructures were developed and discussed to explain the structural defects and band gap. The induced stresses in the lattices of ZnO NSCs that formed during the pyrolysis process seem to cause the narrowing of the gap between the energy levels. ZnO NWs and NRs show homogeneous distribution of the LUMO and HOMO orbitals all over the entire heterostructure. Such distribution contributes to the reduction of the band gap down to 2.8 eV, which has been confirmed to be in a good agreement with the experimental results. ZnO NWs and NRs exhibited better emission behaviours under the UV excitation as compared to ZnO NSCs and thin film as their visible range emissions are strongly quenched. Based on the electrochemical impedance measurement, the electrical models and electrostatic potential maps were developed to calculate the electron lifetime and to explain the mobility or diffusion behaviours in the grown nanostructure, respectively.

  20. Coulomb Traps and Charge Transport in Molecular Solids

    Science.gov (United States)

    Scher, Harvey

    2000-03-01

    A major result of experimental studies of a diverse assortment of disordered molecular solids is the observation of a common pattern in the charge transport properties. The transport ranges from charge transfer between molecules doped in an inert polymer to motion along the silicon backbone of polysilylenes. The pattern is the unusual combination of Poole Frenkel-like electric field dependence and non-Arrhenius temperature dependence of the mobility. The latter feature has been especially puzzling. We study the drift mobility of a molecular polaron in the presence of an applied field and Coulomb traps. The model is based on one previously developed for geminate recombination of photogenerated charge carriers. The key electric field and temperature dependencies of the mobility measurements are well reproduced by this model. Our conclusion is that this nearly universal transport behavior arises from competition between rates of polaron trapping and release from a very low density of Coulomb traps.

  1. Simulation of charge transport in organic semiconductors

    NARCIS (Netherlands)

    van der Kaap, Niels

    2016-01-01

    Plastic electronic devices can be used to emit light, or can convert sunlight into electricity. Charge transport in plastic electronic devices is described by thermally activated hopping of electrons between sites with varying energy levels. Since the hopping mechanism is hard to describe analytical

  2. 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...

  3. 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.

  4. 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.

  5. 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.

  6. Electron transport model of dielectric charging

    Science.gov (United States)

    Beers, B. L.; Hwang, H. C.; Lin, D. L.; Pine, V. W.

    1979-01-01

    A computer code (SCCPOEM) was assembled to describe the charging of dielectrics due to irradiation by electrons. The primary purpose for developing the code was to make available a convenient tool for studying the internal fields and charge densities in electron-irradiated dielectrics. The code, which is based on the primary electron transport code POEM, is applicable to arbitrary dielectrics, source spectra, and current time histories. The code calculations are illustrated by a series of semianalytical solutions. Calculations to date suggest that the front face electric field is insufficient to cause breakdown, but that bulk breakdown fields can easily be exceeded.

  7. 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 ...

  8. 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.

  9. 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...

  10. 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...

  11. 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 ...

  12. 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...

  13. Spacecraft Charging Sensitivity to Material Properties

    Science.gov (United States)

    Minow, Joseph I.; Edwards, David L.

    2015-01-01

    Evaluating spacecraft charging behavior of a vehicle in the space environment requires knowledge of the material properties relevant to the charging process. Implementing surface and internal charging models requires a user to specify a number of material electrical properties including electrical resistivity parameters (dark and radiation induced), dielectric constant, secondary electron yields, photoemission yields, and breakdown strength in order to correctly evaluate the electric discharge threat posed by the increasing electric fields generated by the accumulating charge density. In addition, bulk material mass density and/or chemical composition must be known in order to analyze radiation shielding properties when evaluating internal charging. We will first describe the physics of spacecraft charging and show how uncertainties in material properties propagate through spacecraft charging algorithms to impact the results obtained from charging models. We then provide examples using spacecraft charging codes to demonstrate their sensitivity to material properties. The goal of this presentation is to emphasize the importance in having good information on relevant material properties in order to best characterize on orbit charging threats.

  14. 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

  15. 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.

  16. 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...

  17. 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...

  18. 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.

  19. 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.

  20. Effective Transport Properties

    Science.gov (United States)

    Mauri, Roberto

    In this chapter we study a particular case of multiphase systems, namely two-phase materials in which one of the phases is randomly dispersed in the other, so that the composite can be viewed on a macroscale as an effective continuum, with well defined properties. In general, the theoretical determination of the parameter for an effective medium requires, as a rule, the solution of a corresponding transport problem at the microscale, which takes into account the morphology of the system and its evolution. As the mathematical problem is well-posed on a microscale, this can be accomplished using, for example, the multiple scale approach shown in Chap. 11 ; however, the task requires massive computations and is therefore difficult to implement from the practical standpoint. Here, instead, we focus on a deterministic approach to the problem, where the geometry and spatial configuration of the particles comprising the included phase are given and the solution to the microscale problem is therefore sought analytically. As examples, we study the effective thermal conductivity of solid reinforced materials (Sect. 10.1), the effective viscosity of non-colloidal suspensions (Sect. 10.2), the effective permeability of porous materials (10.3) and the effective self- and gradient diffusivities of colloidal suspensions (Sect. 10.4). Then, in Sect. 10.5, an alternative dynamic definition of the transport coefficients is considered, which can also serve as a basis to determine the effective properties of complex systems.

  1. Charge transport model in nanodielectric composites based on quantum tunneling mechanism and dual-level traps

    Science.gov (United States)

    Li, Guochang; Chen, George; Li, Shengtao

    2016-08-01

    Charge transport properties in nanodielectrics present different tendencies for different loading concentrations. The exact mechanisms that are responsible for charge transport in nanodielectrics are not detailed, especially for high loading concentration. A charge transport model in nanodielectrics has been proposed based on quantum tunneling mechanism and dual-level traps. In the model, the thermally assisted hopping (TAH) process for the shallow traps and the tunnelling process for the deep traps are considered. For different loading concentrations, the dominant charge transport mechanisms are different. The quantum tunneling mechanism plays a major role in determining the charge conduction in nanodielectrics with high loading concentrations. While for low loading concentrations, the thermal hopping mechanism will dominate the charge conduction process. The model can explain the observed conductivity property in nanodielectrics with different loading concentrations.

  2. Charge transport properties of p-CdTe/n-CdTe/n+-Si diode-type nuclear radiation detectors based on metalorganic vapor-phase epitaxy-grown epilayers

    International Nuclear Information System (INIS)

    Charge transport properties of p-CdTe/n-CdTe/n+-Si diode-type nuclear radiation detectors, fabricated by growing p-and n-type CdTe epilayers on (211) n+-Si substrates using metalorganic vapor-phase epitaxy (MOVPE), were studied by analyzing current-voltage characteristics measured at various temperatures. The diode fabricated shows good rectification properties, however, both forward and reverse biased currents deviate from their ideal behavior. The forward current exhibits typical feature of multi-step tunneling at lower biases; however, becomes space charge limited type when the bias is increased. On the other hand, the reverse current exhibits thermally activated tunneling-type current. It was found that trapping centers at the p-CdTe/n-CdTe junction, which were formed due to the growth induced defects, determine the currents of this diode, and hence limit the performance of the nuclear radiation detectors developed

  3. 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

  4. Charge Transport in LDPE Nanocomposites Part II—Computational Approach

    Directory of Open Access Journals (Sweden)

    Anh T. Hoang

    2016-03-01

    Full Text Available A bipolar charge transport model is employed to investigate the remarkable reduction in dc conductivity of low-density polyethylene (LDPE based material filled with uncoated nanofillers (reported in the first part of this work. The effect of temperature on charge transport is considered and the model outcomes are compared with measured conduction currents. The simulations reveal that the contribution of charge carrier recombination to the total transport process becomes more significant at elevated temperatures. Among the effects caused by the presence of nanoparticles, a reduced charge injection at electrodes has been found as the most essential one. Possible mechanisms for charge injection at different temperatures are therefore discussed.

  5. 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.

  6. 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

  7. Ion transport through macrocapillaries - Oscillations due to charge patch formation

    Science.gov (United States)

    Kulkarni, D. D.; Lyle, L. A. M.; Sosolik, C. E.

    2016-09-01

    We present results on ion transport through large bore capillaries (macrocapillaries) that probe both the geometric and ion-guided aspects of this ion delivery mechanism. We have demonstrated that guiding in macrocapillaries exhibits position- and angle-dependent transmission properties which are directly related to the capillary material (either metal or insulator) and geometry. Specifically, we have passed 1 keV Rb+ ions through glass and metal macrocapillaries, and have observed oscillations for the transmitted ion current passing through the insulating capillaries. Straightforward calculations show that these oscillations can be attributed to beam deflections from charge patches that form on the interior walls of the capillary. The absence of these oscillations in the metal capillary data serve as further confirmation of the role of charge patch formation.

  8. Spatial configuration and composition of charge modulates transport into a mucin hydrogel barrier.

    Science.gov (United States)

    Li, Leon D; Crouzier, Thomas; Sarkar, Aniruddh; Dunphy, Laura; Han, Jongyoon; Ribbeck, Katharina

    2013-09-17

    The mucus barrier is selectively permeable to a wide variety of molecules, proteins, and cells, and establishes gradients of these particulates to influence the uptake of nutrients, the defense against pathogens, and the delivery of drugs. Despite its importance for health and disease, the criteria that govern transport through the mucus barrier are largely unknown. Studies with uniformly functionalized nanoparticles have provided critical information about the relevance of particle size and net charge for mucus transport. However, these particles lack the detailed spatial arrangements of charge found in natural mucus-interacting substrates, such as certain viruses, which may have important consequences for transport through the mucus barrier. Using a novel, to our knowledge, microfluidic design that enables us to measure real-time transport gradients inside a hydrogel of mucins, the gel-forming glycoprotein component of mucus, we show that two peptides with the same net charge, but different charge arrangements, exhibit fundamentally different transport behaviors. Specifically, we show that certain configurations of positive and negative charges result in enhanced uptake into a mucin barrier, a remarkable effect that is not observed with either charge alone. Moreover, we show that the ionic strength within the mucin barrier strongly influences transport specificity, and that this effect depends on the detailed spatial arrangement of charge. These findings suggest that spatial charge distribution is a critical parameter to modulate transport through mucin-based barriers, and have concrete implications for the prediction of mucosal passage, and the design of drug delivery vehicles with tunable transport properties.

  9. 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

  10. 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.

  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. Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: a path to ambipolar organic-based materials?

    Science.gov (United States)

    Sancho-García, J C; Pérez-Jiménez, A J

    2014-10-01

    We have carefully investigated the structural and electronic properties of coronene and some of its fluorinated and chlorinated derivatives, including full periphery substitution, as well as the preferred orientation of the non-covalent dimer structures subsequently formed. We have paid particular attention to a set of methodological details, to first obtain single-molecule magnitudes as accurately as possible, including next the use of modern dispersion-corrected methods to tackle the corresponding non-covalently bound dimers. Generally speaking, this class of compounds is expected to self-assembly in neighboring π-stacks with dimer stabilization energies ranging from -20 to -30 kcal mol(-1) at close distances around 3.0-3.3 Å. Then, in a further step, we have also calculated hole and electron transfer rates of some suitable candidates for ambipolar materials, and corresponding charge mobility values, which are known to critically depend on the supramolecular organization of the samples. For coronene and per-fluorinated coronene, we have found high values for their hopping rates, although slightly smaller for the latter due to an increase (decrease) of the reorganization energies (electronic couplings). PMID:25296829

  13. 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...

  14. 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 ...

  15. 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.

  16. 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.

  17. 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

  18. Tunable charge transfer properties in metal-phthalocyanine heterojunctions

    Science.gov (United States)

    Siles, P. F.; Hahn, T.; Salvan, G.; Knupfer, M.; Zhu, F.; Zahn, D. R. T.; Schmidt, O. G.

    2016-04-01

    Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of different organic materials to create organic heterostructures which combine the electrical capabilities of each material. This opens the possibility to precisely engineer and tune new electrical properties. In particular, similar transition metal phthalocyanines demonstrate hybridization and charge transfer properties which could lead to interesting physical phenomena. Although, when considering device dimensions, a better understanding and control of the tuning of the transport properties still remain in the focus of research. Here, by employing conductive atomic force microscopy techniques, we provide an insight about the nanoscale electrical properties and transport mechanisms of MnPc and fluorinated phthalocyanines such as F16CuPc and F16CoPc. We report a transition from typical diode-like transport mechanisms for pure MnPc thin films to space-charge-limited current transport regime (SCLC) for Pc-based heterostructures. The controlled addition of fluorinated phthalocyanine also provides highly uniform and symmetric-polarized transport characteristics with conductance enhancements up to two orders of magnitude depending on the polarization. We present a method to spatially map the mobility of the MnPc/F16CuPc structures with a nanoscale resolution and provide theoretical calculations to support our experimental findings. This well-controlled nanoscale tuning of the electrical properties for metal transition phthalocyanine junctions stands as key step for future phthalocyanine-based electronic devices, where the low dimension charge transfer, mediated by transition metal atoms could be intrinsically linked to a transfer of magnetic moment or spin.Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of

  19. 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.

  20. Charge transport mechanism in lead oxide revealed by CELIV technique.

    Science.gov (United States)

    Semeniuk, O; Juska, G; Oelerich, J-O; Wiemer, M; Baranovskii, S D; Reznik, A

    2016-01-01

    Although polycrystalline lead oxide (PbO) belongs to the most promising photoconductors for optoelectronic and large area detectors applications, the charge transport mechanism in this material still remains unclear. Combining the conventional time-of-flight and the photo-generated charge extraction by linear increasing voltage (photo-CELIV) techniques, we investigate the transport of holes which are shown to be the faster carriers in poly-PbO. Experimentally measured temperature and electric field dependences of the hole mobility suggest a highly dispersive transport. In order to analyze the transport features quantitatively, the theory of the photo-CELIV is extended to account for the dispersive nature of charge transport. While in other materials with dispersive transport the amount of dispersion usually depends on temperature, this is not the case in poly-PbO, which evidences that dispersive transport is caused by the spatial inhomogeneity of the material and not by the energy disorder. PMID:27628537

  1. Charge transport mechanism in lead oxide revealed by CELIV technique

    Science.gov (United States)

    Semeniuk, O.; Juska, G.; Oelerich, J.-O.; Wiemer, M.; Baranovskii, S. D.; Reznik, A.

    2016-09-01

    Although polycrystalline lead oxide (PbO) belongs to the most promising photoconductors for optoelectronic and large area detectors applications, the charge transport mechanism in this material still remains unclear. Combining the conventional time-of-flight and the photo-generated charge extraction by linear increasing voltage (photo-CELIV) techniques, we investigate the transport of holes which are shown to be the faster carriers in poly-PbO. Experimentally measured temperature and electric field dependences of the hole mobility suggest a highly dispersive transport. In order to analyze the transport features quantitatively, the theory of the photo-CELIV is extended to account for the dispersive nature of charge transport. While in other materials with dispersive transport the amount of dispersion usually depends on temperature, this is not the case in poly-PbO, which evidences that dispersive transport is caused by the spatial inhomogeneity of the material and not by the energy disorder.

  2. Spacecraft dielectric material properties and spacecraft charging

    Science.gov (United States)

    Frederickson, A. R.; Wall, J. A.; Cotts, D. B.; Bouquet, F. L.

    1986-01-01

    The physics of spacecraft charging is reviewed, and criteria for selecting and testing semiinsulating polymers (SIPs) to avoid charging are discussed and illustrated. Chapters are devoted to the required properties of dielectric materials, the charging process, discharge-pulse phenomena, design for minimum pulse size, design to prevent pulses, conduction in polymers, evaluation of SIPs that might prevent spacecraft charging, and the general response of dielectrics to space radiation. SIPs characterized include polyimides, fluorocarbons, thermoplastic polyesters, poly(alkanes), vinyl polymers and acrylates, polymers containing phthalocyanine, polyacene quinones, coordination polymers containing metal ions, conjugated-backbone polymers, and 'metallic' conducting polymers. Tables summarizing the results of SIP radiation tests (such as those performed for the NASA Galileo Project) are included.

  3. 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

  4. 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.

  5. 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

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

    Institute of Scientific and Technical Information of China (English)

    裘英华; 李堃; 陈伟宇; 司伟; 谭启檐; 陈云飞

    2015-01-01

    Porous graphene has a high mechanical strength and an atomic-layer thickness that makes it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solutions are a type of strong long-range interaction that may greatly infl uence fl uid transport through nanopores. In this study, molecular dynamic simulations were conducted to investigate ion and water transport through 1.05-nm diameter monolayer graphene nanopores, with their edges charge-modified. Our results indicated that these 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 monotonically decrease. The co-ion rejection can reach 76.5%and 90.2%when the nanopores are negatively and positively charged, respectively. The Cl−ion current increases and reaches a plateau, and the Na+current decreases as the charge amount increases in systems in which Na+ions act as counterions. In addition, charge modification can enhance water transport through nanopores. This is mainly due to the ion selectivity of the nanopores. Notably, positive charges on the pore edges facilitate water transport much more strongly than negative charges.

  7. 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

  8. 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...

  9. 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.

  10. Transport properties of molecular junctions

    CERN Document Server

    Zimbovskaya, Natalya A

    2013-01-01

    A comprehensive overview of the physical mechanisms that control electron transport and the characteristics of metal-molecule-metal (MMM) junctions is presented. As far as possible, methods and formalisms presented elsewhere to analyze electron transport through molecules are avoided. This title introduces basic concepts—a description of the electron transport through molecular junctions—and briefly describes relevant experimental methods. Theoretical methods commonly used to analyze the electron transport through molecules are presented. Various effects that manifest in the electron transport through MMMs, as well as the basics of density-functional theory and its applications to electronic structure calculations in molecules are presented. Nanoelectronic applications of molecular junctions and similar systems are discussed as well. Molecular electronics is a diverse and rapidly growing field. Transport Properties of Molecular Junctions presents an up-to-date survey of the field suitable for researchers ...

  11. 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...

  12. 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...

  13. 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...

  14. The Charge Collection Properties of CVD Diamond

    CERN Document Server

    Behnke, T; Oh, A; Steuerer, J; Wagner, A; Zeuner, W; Behnke, Ties; Hüntemeyer, Petra; Oh, Alexander; Steuerer, Johannes; Wagner, Albrecht; Zeuner, Wolfram

    1998-01-01

    The charge collection properties of CVD diamond have been investigated with ionising radiation. In this study two CVD diamond samples, prepared with electrical contacts have been used as solid state ionisation chambers. The diamonds have been studied with beta particles and 10 keV photons, providing a homogeneous ionisation density and with protons and alpha particles which are absorbed in a thin surface layer. For the latter case a strong decrease of the signal as function of time is observed, which is attributed to polarisation effects inside the diamond. Spatially resolved measurements with protons show a large variation of the charge collection efficiency, whereas for photons and minimum ionising particles the response is much more uniform and in the order of 18%. These results indicate that the applicability of CVD diamond as a position sensitive particle detector depends on the ionisation type and appears to be promising for homogeneous ionisation densities as provided by relativistic charged particles.

  15. 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.

  16. Particle size dependence on the structural, transport and optical properties of charge-ordered Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Satyam [Department of Physics, Banaras Hindu University, Varanaasi 221005 (India); Dwivedi, G.D. [Department of Physics, Banaras Hindu University, Varanaasi 221005 (India); Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China); Lourembam, J. [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Kumar, Shiv; Saxena, U.; Ghosh, A.K. [Department of Physics, Banaras Hindu University, Varanaasi 221005 (India); Chou, H. [Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China); Chatterjee, Sandip, E-mail: schatterji.app@iitbhu.ac.in [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2015-11-15

    Structural, transport and optical properties of nano-crystalline Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} have been investigated to emphasize on the semiconducting properties of charge-ordered manganite. Rietveld refinement of X-ray diffraction pattern of Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} nanoparticles show that due to increase in sintering temperature, MnO{sub 6} octahedra elongated along z-direction and compressed in x-y plane. Both Mn–O–Mn angles are found to decrease with increasing sintering temperature. Fourier transform infrared (FTIR) spectroscopy measurements reveal that the stretching and bending vibration of Mn–O–Mn is responsible for the change in Mn–O–Mn bond length and bond angle respectively. With increasing sintering temperature, these vibrations tend to increase, which resulted in the further distortion of MnO{sub 6} octahedra. Magnetic measurements suggest that charge ordering is established and system becomes antiferromagnetic with increasing particle size. Resistivity behavior of Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} nanoparticles clearly exhibit semiconducting nature of these systems, which is due to the formation of charge-ordered state of Mn{sup 3+} and Mn{sup 4+}. Estimated optical band-gap of ∼3.7 eV for Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} nanocrystals, makes it a potential candidate for wide band-gap magnetic semiconductors. - Highlights: • Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} nanoparticles have been synthesized via sol–gel route. • Optical properties of charge-ordered Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} have been investigated. • Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} nanoparticles exhibit wide band-gap (3.7 eV) semiconducting nature. • Potential candidate for wide band-gap magnetic semiconductor device applications.

  17. Transport properties of uranium dioxide

    International Nuclear Information System (INIS)

    In order to provide reliable and consistent data on the thermophysical properties of reactor materials for reactor safety studies, this revision is prepared for the transport properties of the uranium dioxide portion of the fuel property section of the report Properties for LMFBR Safety Analysis. Since the original report was issued in 1976, measurements of thermal diffusivity and emissivity have been made. In addition to incorporating this new data, new equations have been derived to fit the thermal diffusivity and thermal conductivity data. This analysis is consistent with the analysis of enthalpy and heat capacity. A new form of equation for the emissivity is also given. The present report comprises the transport part of the UO2 portion of section A of the planned complete revision of Properties for LMFBR Safety Analysis

  18. The Charge Collection Properties of CVD Diamond

    OpenAIRE

    Behnke, Ties; Hüntemeyer, Petra; Oh, Alexander; Steuerer, Johannes; Wagner, Albrecht; Zeuner, Wolfram

    1998-01-01

    The charge collection properties of CVD diamond have been investigated with ionising radiation. In this study two CVD diamond samples, prepared with electrical contacts have been used as solid state ionisation chambers. The diamonds have been studied with beta particles and 10 keV photons, providing a homogeneous ionisation density and with protons and alpha particles which are absorbed in a thin surface layer. For the latter case a strong decrease of the signal as function of time is observe...

  19. Charge transport in organic crystals: critical role of correlated fluctuations unveiled by analysis of Feynman diagrams.

    Science.gov (United States)

    Packwood, Daniel M; Oniwa, Kazuaki; Jin, Tienan; Asao, Naoki

    2015-04-14

    Organic crystals have unique charge transport properties that lie somewhere between delocalised band-type transport and localised hopping transport. In this paper, we use a stochastic tight-binding model to explore how dynamical disorder in organic crystals affects charge transport. By analysing the model in terms of Feynman diagrams (virtual processes), we expose the crucial role of correlated dynamical disorder to the charge transport dynamics in the model at short times in the order of a few hundred femtoseconds. Under correlated dynamical disorder, the random motions of molecules in the crystal allow for low-energy "bonding"-type interactions between neighboring molecular orbitals can persist over long periods of time. On the other hand, the dependence of charge transport on correlated dynamical disorder also tends to localize the charge, as correlated disorder cannot persist far in space. This concept of correlation may be the "missing link" for describing the intermediate regime between band transport and hopping transport that occurs in organic crystals.

  20. 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...

  1. Radiation-induced charge transport in polymer electrets

    Energy Technology Data Exchange (ETDEWEB)

    Labonte, K. (Technische Univ., Darmstadt (Germany, F.R.). Inst. for Electroacoustics)

    1984-01-01

    Recently, a new physical model has been developed describing the charge dynamics in dielectrics during irradiation. Experimental investigations of the charge transport in polymer electrets were carried out in a modified electron-beam microscope on various materials (FEP, PETP, PVDF). A qualitative comparison of the theoretical results with experimental data shows that, in FEP, electrons are practically immobile, whereas positive charge carriers cause a trap-modulated unipolar hole current. For PETP, analogous results are found except that here the mobility of the electrons dominates. In PVDF, however, both charge carriers must be mobile.

  2. 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

  3. Microscopic modeling of charge transport in sensing proteins

    Science.gov (United States)

    Reggiani, Lino; Millithaler, Jean-Francois; Pennetta, Cecilia

    2012-06-01

    Sensing proteins (receptors) are nanostructures that exhibit very complex behaviors (ions pumping, conformational change, reaction catalysis, etc). They are constituted by a specific sequence of amino acids within a codified spatial organization. The functioning of these macromolecules is intrinsically connected with their spatial structure, which modifications are normally associated with their biological function. With the advance of nanotechnology, the investigation of the electrical properties of receptors has emerged as a demanding issue. Beside the fundamental interest, the possibility to exploit the electrical properties for the development of bioelectronic devices of new generations has attracted major interest. From the experimental side, we investigate three complementary kinds of measurements: (1) current-voltage (I-V) measurements in nanometric layers sandwiched between macroscopic contacts, (2) I-V measurements within an AFM environment in nanometric monolayers deposited on a conducting substrate, and (3) electrochemical impedance spectroscopy measurements on appropriate monolayers of self-assembled samples. From the theoretical side, a microscopic interpretation of these experiments is still a challenging issue. This paper reviews recent theoretical results carried out within the European project, Bioelectronic Olfactory Neuron Device, which provides a first quantitative interpretation of charge transport experiments exploiting static and dynamic electrical properties of several receptors. To this purpose, we have developed an impedance network protein analogue (INPA) which considers the interaction between neighboring amino acids within a given radius as responsible of charge transfer throughout the protein. The conformational change, due to the sensing action produced by the capture of the ligand (photon, odour), induces a modification of the spatial structure and, thus, of the electrical properties of the receptor. By a scaling procedure, the

  4. Microscopic theory on charge transports of a correlated multiorbital system

    Science.gov (United States)

    Arakawa, Naoya

    2016-07-01

    Current vertex correction (CVC), the backflowlike correction to the current, comes from conservation laws, and the CVC due to electron correlation contains information about many-body effects. However, it has been little understood how the CVC due to electron correlation affects the charge transports of a correlated multiorbital system. To improve this situation, I studied the in-plane resistivity ρa b and the Hall coefficient in the weak-field limit RH, in addition to the magnetic properties and the electronic structure, for a t2 g-orbital Hubbard model on a square lattice in a paramagnetic state away from or near an antiferromagnetic (AF) quantum-critical point (QCP) in the fluctuation-exchange (FLEX) approximation with the CVCs arising from the self-energy (Σ ), the Maki-Thompson (MT) irreducible four-point vertex function, and the main terms of the Aslamasov-Larkin (AL) one. Then, I found three main results about the CVCs. First, the main terms of the AL CVC do not qualitatively change the results obtained in the FLEX approximation with the Σ CVC and the MT CVC. Second, ρa b and RH near the AF QCP have a high-temperature region, governed mainly by the Σ CVC, and a low-temperature region, governed mainly by the Σ CVC and the MT CVC. Third, in case away from the AF QCP, the MT CVC leads to a considerable effect on only RH at low temperatures, although RH at high temperatures and ρa b at all temperatures considered are sufficiently described by including only the Σ CVC. Those findings reveal several aspects of many-body effects on the charge transports of a correlated multiorbital system. I also achieved the qualitative agreement with several experiments of Sr2RuO4 or Sr2Ru0.975Ti0.025O4 . Moreover, I showed several better points of this theory than other theories.

  5. Modification of the charge transport properties of the copper phthalocyanine/poly(vinyl alcohol) interface using cationic or anionic surfactant for field-effect transistor performance enhancement

    International Nuclear Information System (INIS)

    We report on the performance enhancement of organic field-effect transistors prepared using cross-linked poly(vinyl alcohol) as gate dielectric and copper phthalocyanine as channel semiconductor through gate dielectric surface treatment. The gate dielectric surface was treated using either a cationic surfactant, hexadecyltrimethylammonium bromide (CTAB), or an anionic surfactant, sodium dodecyl sulfate (SDS). We determined the charge-carrier field-effect mobility ( μ FET) in these transistors as a function of the effective channel thickness in the channel bottleneck, near to the transistor source. When compared to the untreated devices, in the devices treated with CTAB or SDS, the channel formation occurs at lower gate voltage and the carrier mobility in the thinnest channel region, corresponding to the immediate vicinity of the insulator/semiconductor interface, is significantly higher. The surfactant treatment leads to a tenfold increase in μ FET and significant enhancement in capacitance, on/off current ratio and transconductance of the transistor. (paper)

  6. 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...

  7. 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.)

  8. 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...

  9. Transport Properties for Combustion Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J.; Bastein, L.; Price, P.N.

    2010-02-19

    This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4

  10. 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.

  11. 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.

  12. 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 ...

  13. 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 ...

  14. 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

  15. 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...

  16. 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.

  17. 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.

  18. Transport properties of ceramic composites

    Energy Technology Data Exchange (ETDEWEB)

    Starr, T.L.; Hablutzel, N. [Georgia Institute of Technology, Atlanta, GA (United States)

    1996-08-01

    Instrumentation and procedures have been completed for measurement of gas permeability and mass diffusivity of fiber preforms and porous materials. Results are reported for composites reinforced with Nicalon fiber in cloth lay-up and 3-D weave and with Nextel fiber in multi-layer braid. Measured permeability values range from near 100 to less than 0.1 darcies. Mass diffusivity is reported as a structure factor relating the diffusion through the porous material to that in free space. This measure is independent of the diffusing species and depends only on the pore structure of the material. Measurements are compared to predictions of a node-bond model for gas transport. Model parameters adjusted to match measured transport properties relate to physical microstructure features of the different architectures. Combination of this transport model with the CVI process model offers a predictive method to evaluate the densification behavior of various fiber preforms.

  19. 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

  20. Transport properties of organic liquids

    CERN Document Server

    Latini, G; Passerini, G

    2006-01-01

    The liquid state is possibly the most difficult and intriguing state of matter to model. Organic liquids are required, mainly as working fluids, in almost all industrial activities and in most appliances (e.g. in air conditioning). Transport properties (namely dynamic viscosity and thermal conductivity) are possibly the most important properties for the design of devices and appliances. The aim of this book is to present both theoretical approaches and the latest experimental advances on the issue, and to merge them into a wider approach. It concentrates on applicability of models.This book is

  1. 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

  2. 电势降落对DNA分子器件电荷输运的影响%Effect of Voltage Drop at Interface on Charge Transport Property of DNA Molecular Device

    Institute of Scientific and Technical Information of China (English)

    康大伟; 孙孟乐; 尤景汉; 姬江涛

    2012-01-01

    基于晶格格林函数和Landauer-Büttiker公式,研究了脱氧核糖核酸分子器件在不同电势降落下的电荷输运性质.界面处的电势降落可以导致负微分电导现象的出现,而且随着电势降落在脱氧核糖核酸分子上的比例的提高,这个效应更加明显.电势降落导致的分子轨道的局域化是产生负微分电导现象的关键因素.%The charge transport properties of deoxyribonucleic acid( DNA) molecular device at different voltage drop were studied based on the lattice Green function and Landauer-Btittiker formula. The voltage drop on the DNA molecule results in the negative differential conductance which becomes more prominent when the voltage drop increases. The localization of molecular orbital is the key point of the negative differential conductance.

  3. Observation of quantum interference in molecular charge transport

    DEFF Research Database (Denmark)

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

    2012-01-01

    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...

  4. [Hopping and superexchange mechanisms of charge transport to DNA].

    Science.gov (United States)

    Lakhno, V D; Sultanov, V B

    2003-01-01

    A theory for charge transport in nucleobase sequences was constructed in which the hole migration proceeds via hopping between guanines. Each hop over the adenine-thymine (A-T) bridge connecting neighboring guanines occurs by means of the superexchange mechanism. The experimental data and theoretical results for various types of nucleobase sequences are compared.

  5. 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.

  6. 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

  7. 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

    2016-01-20

    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.

  8. 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.

  9. Space-Charge Dominated Beam Transport via Multiresolution

    CERN Document Server

    Fedorova, A N; Fedorova, Antonina N.; Zeitlin, Michael G.

    2001-01-01

    We consider space-charge dominated beam transport systems, where space-charge forces are the same order as external focusing forces and dynamics of the corresponding emittance growth. We consider the coherent modes of oscillations and coherent instabilities both in the different nonlinear envelope models and in initial collective dynamics picture described by Vlasov system. Our calculations are based on variation approach and multiresolution in the base of high-localized generalized coherent states/wavelets. We control contributions to dynamical processes from underlying multiscales via nonlinear high-localized eigenmodes expansions in the base of compactly supported wavelet and wavelet packets bases.

  10. 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.

  11. Surface Charge and Ion Sorption Properties of Titanium Dioxide

    Science.gov (United States)

    Ridley, M. K.; Machesky, M. L.; Wesolowski, D. J.; Finnegan, M. P.; Palmer, D. A.

    2001-12-01

    The interaction of submicron metal oxide particles with natural aqueous solutions results in the hydroxylation of surface sites, which impart a pH-dependent surface charge. The charged submicron particles influence processes such as nanoparticle assembly and alteration, crystal growth rates and morphologies, colloid flocculation, and contaminant transport. The surface charge and ion sorption properties of metal-oxide particles may be studied by potentiometric titrations, using hydrogen-electrode concentration-cells or traditional glass electrodes and an autotitrator. These techniques have been used to quantify the adsorption of various ions (Na+, Rb+, Ca2+, Sr2+, Cl-) on rutile, at ionic strengths up to 1.0 molality and temperatures to 250° C. The crystalline rutile used in these studies is less than 400 nm in diameter, has a BET surface area of 17 m2/g, and the 110 and 100 faces predominate. The negative surface charge of the rutile was enhanced by increasing temperature, increasing ionic strength, and decreasing the ionic radii of the electrolyte cation. Moreover, the addition of a divalent cation significantly enhances the negative charge of the rutile surface. These data have been rationalized with the MUSIC model of Hiemestra and van Riemsdijk, and a Basic Stern layer description of the electric double layer (EDL). Model fitting of the experimental data provides binding constants for the adsorbed counterions and divalent cations, and capacitance values as well as corresponding electrical potential values of the binding planes. Recently, new studies have been initiated to determine particle size affects on the proton induced surface charge and ion sorption properties of titanium dioxide. In these studies, anatase with a BET surface area of 40 and 100 m2/g (primary particle sizes of 40 and 10 nm, respectively) is being investigated. The complexity of both the experimental and modeling procedures increases with decreasing particle size. For example, the fine

  12. Charge transport dependent high open circuit voltage tandem organic photovoltaic cells with low temperature deposited HATCN-based charge recombination layers.

    Science.gov (United States)

    Wei, Huai-Xin; Zu, Feng-Shuo; Li, Yan-Qing; Chen, Wen-Cheng; Yuan, Yi; Tang, Jian-Xin; Fung, Man-Keung; Lee, Chun-Sing; Noh, Yong-Young

    2016-02-01

    Mechanisms of charge transport between the interconnector and its neighboring layers in tandem organic photovoltaic cells have been systematically investigated by studying electronic properties of the involving interfaces with photoelectron spectroscopies and performance of the corresponding devices. The results show that charge recombination occurs at HATCN and its neighboring hole transport layers which can be deposited at low temperature. The hole transport layer plays an equal role to the interconnector itself. These insights provide guidance for the identification of new materials and the device architecture for high performance devices.

  13. Optical properties of charged semiconductor quantum dots

    Science.gov (United States)

    Jha, Praket P.

    The effect of n-type doping on the luminescence properties of II-VI quantum dots is studied. The addition of two shells of CdS on CdSe quantum dots prevents the creation of surface traps and makes the system stable under reducing environment. The injection of electrons into films of quantum dots leads to lower photoluminescence (PL) efficiency, with the extent of quenching dependent on both the number and the quantum states of the spectator charges in the nanocrystal. It is found that a 1Pe electron is an eightfold better PL quencher than the 1Se electron. Reduced threshold for stimulated emission is also observed in doped CdSe/CdS films. Time resolved photoluminescence measurements are used to extract the recombination rates of a charged exciton, called trion. It is observed that the negative trion has a radiative rate ˜2.2 +/- 0.4x faster than a neutral exciton, while its non-radiative recombination rate is slower than the biexciton non-radiative recombination rate by a factor of 7.5 +/- 1.7. The knowledge of the recombination rates of the trion enables us to calculate the quantum yield of a negative trion to be ˜10% for the nanocrystals investigated in our work. This is larger than the off state quantum yield from a single quantum dot photoluminescence trajectory and eliminates the formation of negative trion as the possible reason for the PL blinking of single quantum dots. Single quantum dot electrochemistry has also been achieved. It is shown that by varying the Fermi level of the system electrons can be reversibly injected into and extracted out of single CdSe/CdS and CdSe/ZnS nanoparticles to modulate the photoluminescence.

  14. 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.

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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.

  2. 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.

  3. 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

  4. Transport properties of ceramic composites

    Energy Technology Data Exchange (ETDEWEB)

    Starr, T.L. [Georgia Inst. of Technology, Atlanta, GA (United States)

    1995-08-01

    This project involves experimental and modeling investigation of the transport properties of chemical vapor infiltration (CVI) preforms and densified composites, with particular emphasis on gas permeability and mass diffusivity. The results of this work will be useful both for on-going CVI process development and for evaluation and optimization of composite materials for fossil energy applications. With preforms made with 500 filaments/tow Nicalon at 40 vol% fiber loading, permeability values are similar for square-weave cloth layup and 3-D weave at low density. At greater densification the 3-D weave permeability is lower and approaches zero with significantly more closed porosity than the cloth layup. For filament wound preforms we were unable to make reliable measurements with the available materials. A model for gas transport in these materials utilizes percolation theory concepts. The ultimate achievable density is related to the closing of a continuous gas path through the preform. As the density approaches this limit the gas permeability and diffusivity vanish exponentially. The value of this limit is controlled primarily by the preform fiber architecture. The observed difference between the cloth layup and 3-D weave materials is due to the larger pores at tow crossing points found in the 3-D weave.

  5. 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...

  6. Opto-electronic properties of charged conjugated molecules

    NARCIS (Netherlands)

    Fratiloiu, S.

    2007-01-01

    The aim of this thesis is to provide fundamental insight into the nature and opto-electronic properties of charge carriers on conjugated oligomers and polymers. Electronic structure, optical absorption properties and distribution of charge carriers along the chains of different conjugated materials

  7. 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.

  8. Charge transport and transfer processes in CuInS2 nanocrystal-based hybrid solar cells

    OpenAIRE

    Miranti, Rany

    2015-01-01

    Colloidally synthesized CIS NCs are investigated in this work for their charge transport and charge transfer properties. By post-synthesis removal and replacement of the different types of ligands surrounding the CIS NCs, these properties can found be enhanced - especially by a combination of successive solution-phase and post-deposition ligand exchanges, which is derived from results obtained by measurements in combination with different polymers as active layer blends for BHJ solar cells. A...

  9. Charge trapping and carrier transport mechanism in silicon-rich silicon oxynitride

    Energy Technology Data Exchange (ETDEWEB)

    Yu Zhenrui [Department of Electronics, INAOE, Apdo. 51, Puebla, Pue. 72000 (Mexico)]. E-mail: yinaoep@yahoo.mx; Aceves, Mariano [Department of Electronics, INAOE, Apdo. 51, Puebla, Pue. 72000 (Mexico); Carrillo, Jesus [CIDS, BUAP, Puebla, Pue. (Mexico); Lopez-Estopier, Rosa [Department of Electronics, INAOE, Apdo. 51, Puebla, Pue. 72000 (Mexico)

    2006-12-05

    The charge-trapping and carrier transport properties of silicon-rich silicon oxynitride (SRO:N) were studied. The SRO:N films were deposited by low pressure chemical vapor deposition. Infrared (IR) and transmission electron microscopic (TEM) measurements were performed to characterize their structural properties. Capacitance versus voltage and current versus voltage measurements (I-V) were used to study the charge-trapping and carrier transport mechanism. IR and TEM measurements revealed the existence of Si nanodots in SRO:N films. I-V measurements revealed that there are two conduction regimes divided by a threshold voltage V {sub T}. When the applied voltage is smaller than V {sub T}, the current is dominated by the charge transfer between the SRO:N and substrate; and in this regime only dynamic charging/discharging of the SRO:N layer is observed. When the voltage is larger than V {sub T}, the current increases rapidly and is dominated by the Poole-Frenkel mechanism; and in this regime, large permanent trapped charge density is obtained. Nitrogen incorporation significantly reduced the silicon nanodots or defects near the SRO:N/Si interface. However, a significant increase of the density of silicon nanodot in the bulk of the SRO:N layer is obtained.

  10. Structure and Morphology Control in Thin Films of Conjugated Polymers for an Improved Charge Transport

    Directory of Open Access Journals (Sweden)

    Haiyang Wang

    2013-11-01

    Full Text Available The morphological and structural features of the conjugated polymer films play an important role in the charge transport and the final performance of organic optoelectronics devices [such as organic thin-film transistor (OTFT and organic photovoltaic cell (OPV, etc.] in terms of crystallinity, packing of polymer chains and connection between crystal domains. This review will discuss how the conjugated polymer solidify into, for instance, thin-film structures, and how to control the molecular arrangement of such functional polymer architectures by controlling the polymer chain rigidity, polymer solution aggregation, suitable processing procedures, etc. These basic elements in intrinsic properties and processing strategy described here would be helpful to understand the correlation between morphology and charge transport properties and guide the preparation of efficient functional conjugated polymer films correspondingly.

  11. 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...

  12. 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.

  13. 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...

  14. 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.

  15. 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...

  16. 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.

  17. 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.

  18. A measurement of charge properties of quark jets at PETRA

    International Nuclear Information System (INIS)

    The charge properties of quark jets produced in e+e--annihilation at 30 GeV center of mass energy have been investigated with the PLUTO detector. We find that the mean absolute value of the jet charge = 0.55 +- 0.25 is small compared to the expectation from statistical models. Long range charge correlations are observed. These results indicate that the sign of the primary quark charge can be obtained with high probability from the charge of the jet and its distribution in the jet. (orig.)

  19. 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.

  20. 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.)

  1. Acoustic charge transport technology investigation for advanced development transponder

    Science.gov (United States)

    Kayalar, S.

    1993-01-01

    Acoustic charge transport (ACT) technology has provided a basis for a new family of analog signal processors, including a programmable transversal filter (PTF). Through monolithic integration of ACT delay lines with GaAs metal semiconductor field effect transistor (MESFET) digital memory and controllers, these devices significantly extend the performance of PTF's. This article introduces the basic operation of these devices and summarizes their present and future specifications. The production and testing of these devices indicate that this new technology is a promising one for future space applications.

  2. 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...

  3. 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)

  4. 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....

  5. 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.

  6. Transport Properties of USb and UTe

    OpenAIRE

    Ochiai, Akira; SUZUKI, Yoshimitsu; Shikama, Tatsuo; Suzuki, Kenji; HOTTA, Eisuke; Haga, Yoshinori; Suzuki, Takashi

    1994-01-01

    Among uranium monochalcogenides and monopnictides with the NaCl-type structure USb and UTe show interesting properties such as Kondo behavior. However, such interesting properties are very sensitive to sample quality. We grew single crystals of USb and UTe with high purity using the Bridgman technique and subsequent annealing, and measured transport properties . The quality of these compouds strongly affected on physical properties.

  7. 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.

  8. Crafting zero-bias one-way transport of charge and spin

    Science.gov (United States)

    Foa Torres, L. E. F.; Dal Lago, V.; Suárez Morell, E.

    2016-02-01

    We explore the electronic structure and transport properties of a metal on top of a (weakly coupled) two-dimensional topological insulator. Unlike the widely studied junctions between topological nontrivial materials, the systems studied here allow for a unique band structure and transport steering. First, states on the topological insulator layer may coexist with the gapless bulk and, second, the edge states on one edge can be selectively switched off, thereby leading to nearly perfect directional transport of charge and spin even in the zero bias limit. We illustrate these phenomena for Bernal stacked bilayer graphene with Haldane or intrinsic spin-orbit terms and a perpendicular bias voltage. This opens a path for realizing directed transport in materials such as van der Waals heterostructures, monolayer, and ultrathin topological insulators.

  9. 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...

  10. 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

  11. 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.

  12. 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.

  13. Mixed quantum-classical dynamics for charge transport in organics.

    Science.gov (United States)

    Wang, Linjun; Prezhdo, Oleg V; Beljonne, David

    2015-05-21

    Charge transport plays a crucial role in the working principle of most opto-electronic and energy devices. This is especially true for organic materials where the first theoretical models date back to the 1950s and have continuously evolved ever since. Most of these descriptions rely on perturbation theory to treat small interactions in the Hamiltonian. In particular, applying a perturbative treatment to the electron-phonon and electron-electron coupling results in the band and hopping models, respectively, the signature of which is conveyed by a characteristic temperature dependence of mobility. This perspective describes recent progress of studying charge transport in organics using mixed quantum-classical dynamics techniques, including mean field and surface hopping theories. The studies go beyond the perturbation treatments and represent the processes explicitly in the time-domain, as they occur in real life. The challenges, advantages, and disadvantages of both approaches are systematically discussed. Special focus is dedicated to the temperature dependence of mobility, the role of local and nonlocal electron-phonon couplings, as well as the interplay between electronic and electron-phonon interactions.

  14. 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

  15. 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.

  16. Light-Induced Charge Transport within a Single Asymmetric Nanowire

    Energy Technology Data Exchange (ETDEWEB)

    LIU, CHONG; HWANG, YUN YEONG; JEONG, HOON EIU; YANG, PEIDONG

    2011-01-21

    Artificial photosynthetic systems using semiconductor materials have been explored for more than three decades in order to store solar energy in chemical fuels such as hydrogen. By mimicking biological photosynthesis with two light-absorbing centers that relay excited electrons in a nanoscopic space, a dual-band gap photoelectrochemical (PEC) system is expected to have higher theoretical energy conversion efficiency than a single band gap system. This work demonstrates the vectorial charge transport of photo-generated electrons and holes within a single asymmetric Si/TiO2 nanowire using Kelvin probe force microscopy (KPFM). Under UV illumination, higher surface potential was observed on the n-TiO₂ side, relative to the potential of the p-Si side, as a result of majority carriers’ recombination at the Si/TiO₂ interface. These results demonstrate a new approach to investigate charge separation and transport in a PEC system. This asymmetric nanowire heterostructure, with a dual band gap configuration and simultaneously exposed anode and cathode surfaces represents an ideal platform for the development of technologies for the generation of solar fuels, although better photoanode materials remain to be discovered.

  17. Thermally activated charge transport in microbial protein nanowires.

    Science.gov (United States)

    Lampa-Pastirk, Sanela; Veazey, Joshua P; Walsh, Kathleen A; Feliciano, Gustavo T; Steidl, Rebecca J; Tessmer, Stuart H; Reguera, Gemma

    2016-01-01

    The bacterium Geobacter sulfurreducens requires the expression of conductive protein filaments or pili to respire extracellular electron acceptors such as iron oxides and uranium and to wire electroactive biofilms, but the contribution of the protein fiber to charge transport has remained elusive. Here we demonstrate efficient long-range charge transport along individual pili purified free of metal and redox organic cofactors at rates high enough to satisfy the respiratory rates of the cell. Carrier characteristics were within the orders reported for organic semiconductors (mobility) and inorganic nanowires (concentration), and resistivity was within the lower ranges reported for moderately doped silicon nanowires. However, the pilus conductance and the carrier mobility decreased when one of the tyrosines of the predicted axial multistep hopping path was replaced with an alanine. Furthermore, low temperature scanning tunneling microscopy demonstrated the thermal dependence of the differential conductance at the low voltages that operate in biological systems. The results thus provide evidence for thermally activated multistep hopping as the mechanism that allows Geobacter pili to function as protein nanowires between the cell and extracellular electron acceptors. PMID:27009596

  18. 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...... of the ordered microcrystalline domains in the conjugated polymer poly(3-hexylthiophene), P3HT, Self-organization in P3HT results in a lamella structure with two-dimensional conjugated sheets formed by interchain stacking. We find that, depending on processing conditions, the lamellae can adopt two different...... character of the polaronic charge carriers, which exhibit lower relaxation energies than the corresponding radical cations on isolated one-dimensional chains. The possibility of achieving high mobilities via two-dimensional transport in self-organized conjugated lamellae is important for applications...

  19. 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

  20. Spin Selective Charge Transport through Cysteine Capped CdSe Quantum Dots.

    Science.gov (United States)

    Bloom, Brian P; Kiran, Vankayala; Varade, Vaibhav; Naaman, Ron; Waldeck, David H

    2016-07-13

    This work demonstrates that chiral imprinted CdSe quantum dots (QDs) can act as spin selective filters for charge transport. The spin filtering properties of chiral nanoparticles were investigated by magnetic conductive-probe atomic force microscopy (mCP-AFM) measurements and magnetoresistance measurements. The mCP-AFM measurements show that the chirality of the quantum dots and the magnetic orientation of the tip affect the current-voltage curves. Similarly, magnetoresistance measurements demonstrate that the electrical transport through films of chiral quantum dots correlates with the chiroptical properties of the QD. The spin filtering properties of chiral quantum dots may prove useful in future applications, for example, photovoltaics, spintronics, and other spin-driven devices. PMID:27336320

  1. ULF Waves and Diffusive Radial Transport of Charged Particles

    Science.gov (United States)

    Ali, Ashar Fawad

    The Van Allen radiation belts contain highly energetic particles which interact with a variety of plasma and magnetohydrodynamic (MHD) waves. Waves in the ultra low-frequency (ULF) range play an important role in the loss and acceleration of energetic particles. Considering the geometry of the geomagnetic field, charged particles trapped in the inner magnetosphere undergo three distinct types of periodic motions; an adiabatic invariant is associated with each type of motion. The evolution of the phase space density of charged particles in the magnetosphere in the coordinate space of the three adiabatic invariants is modeled by the Fokker-Planck equation. If we assume that the first two adiabatic invariants are conserved while the third invariant is violated, then the general Fokker-Planck equation reduces to a radial diffusion equation with the radial diffusion coefficient quantifying the rate of the radial diffusion of charged particles, including contributions from perturbations in both the magnetic and the electric fields. This thesis investigates two unanswered questions about ULF wave-driven radial transport of charged particles. First, how important are the ULF fluctuations in the magnetic field compared with the ULF fluctuations in the electric field in driving the radial diffusion of charged particles in the Earth's inner magnetosphere? It has generally been accepted that magnetic field perturbations dominate over electric field perturbations, but several recently published studies suggest otherwise. Second, what is the distribution of ULF wave power in azimuth, and how does ULF wave power depend upon radial distance and the level of geomagnetic activity? Analytic treatments of the diffusion coefficients generally assume uniform distribution of power in azimuth, but in situ measurements suggest that this may not be the case. We used the magnetic field data from the Combined Release and Radiation Effects Satellite (CRRES) and the electric and the magnetic

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. 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...

  7. 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

  8. Transport rectification in nanopores with outer membranes modified with surface charges and polyelectrolytes.

    Science.gov (United States)

    Tagliazucchi, Mario; Rabin, Yitzhak; Szleifer, Igal

    2013-10-22

    This work reports a comprehensive theoretical study of the transport-rectification properties of cylindrical nanopores with neutral inner walls and chemically modified outer membrane. The chemical species on the two outer sides of the membrane have charges of opposite sign and can be either surface-confined species (i.e., surface charges) or polyelectrolyte brushes. The advantage of this design over other types of rectifying nanopores is that it requires controlling the composition of the outer walls of the pore (which are easy to access) rather than the inner walls, thus simplifying the fabrication process. Ion-current rectification in nanopores with charged outer walls is ascribed to applied-potential-induced changes in the ionic concentration within the pore. The rectification efficiency is studied as a function of pore length, radius, surface charge and bulk electrolyte concentration. An analytical model is derived for the case of surface-confined charges that predicts the current-potential curves in very good agreement with the numerical calculations. Neutral nanopores with polyelectrolyte-modified outer walls have two distinct advantages compared to surface-charged systems: (i) they exhibit higher rectification factors due to the large charge density immobilized by the polyelectrolyte brushes, and (ii) the applied potential deforms the polyelectrolyte chains toward the oppositely charged electrode. This deformation brings the polyelectrolyte brushes into the pore in the low conductivity state and expels them from the pore in the high conductivity regime. Calculations of the potentials of mean-force suggest that the applied-field-induced conformational changes can be used to control the translocation of cargoes larger than ions, such as proteins and nanoparticles.

  9. 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...

  10. 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.

  11. Charge transport in single CuO nanowires

    Science.gov (United States)

    Wu, Junnan; Yin, Bo; Wu, Fei; Myung, Yoon; Banerjee, Parag

    2014-11-01

    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 (conduction is observed with an activation energy of 272 meV. The injected electrons fill traps with an average energy, ET = 26.6 meV and trap density, NT = 3.4 × 1015 cm-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 cm2/V s and an effective hole concentration of 4 × 1018 cm-3 at 250 K.

  12. Charge Transport Mechanism in Thin Cuticles Holding Nandi Flame Seeds

    Directory of Open Access Journals (Sweden)

    Wycliffe K. Kipnusu

    2009-01-01

    Full Text Available Metal-sample-metal sandwich configuration has been used to investigate DC conductivity in 4 m thick Nandi flame [Spathodea campanulata P. Beauv.] seed cuticles. - characteristics showed ohmic conduction at low fields and space charge limited current at high fields. Charge mobility in ohmic region was 4.06×10−5(m2V−1s−1. Temperature-dependent conductivity measurements have been carried out in the temperature range 320 K 450 K. Activation energy within a temperature of 320 K–440 K was about 0.86 eV. Variable range hopping (VRH is the main current transport mechanism at the range of 330–440 K. The VRH mechanism was analyzed based on Mott theory and the Mott parameters: density of localized states near the Fermi-level N(≈9.04×1019(eV−1cm−3 and hopping distance ≈1.44×10−7 cm, while the hopping energy ( was in the range of 0.72 eV–0.98 eV.

  13. 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

  14. 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

  15. 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...

  16. 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.

  17. 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.

  18. Study of the effect of the charge transport layer in the electrical characteristics of the organic photovoltaics

    Science.gov (United States)

    Rahimi, Ronak; Roberts, Alex; Narang, V.; Kumbham, Vamsi Krishna; Korakakis, D.

    2013-09-01

    Significant progress in fabrication and optimization of organic photovoltaics (OPVs) has been made during the last decade. The main reason for popularity of OPVs is due to their low production cost, large area devices and compatibility with flexible substrates 1-3. Various approaches including optimizing morphology of the active layers 1, 2, introducing new materials as the donor and acceptor 3,4, new device structures such as tandem structure 5, 6 have been adapted to improve the efficiency of the organic photovoltaics. However, electrical characteristics of the OPVs do not only depend on the active layer materials or device structure. They can also be defined by the interface properties between active layers and the charge transport layers or the metal contacts. Within this paper, the effect of the thickness variation of the charge transport layer in the electrical properties of the bilayer heterojunction OPVs has been studied. Several devices with CuPc/PTCDI-C8 as the donor/acceptor layers have been fabricated with different thicknesses of electron transport layer. MoO3 and Alq3 have been used respectively as the hole transport layer (HTL) and the electron transport layer (ETL). It has been shown that the S-shape effect in the current-voltage curve is attributed to the accumulation of the charge carriers at the interface between the active layer and the charge transport layer 5, 7.

  19. Transport properties of high critical temperature superconductors

    International Nuclear Information System (INIS)

    In this paper an overview of transport properties of the new high temperature oxide superconducting materials is presented. In particular the transport critical current in single crystals and sintered material is examined. The intrinsic properties of the new superconductors can be explained in terms of a low pinning energy and of the usual mechanisms of thermally activated flux motion. In sintered samples the superconducting behavior is dominated by the poor intergrain coupling that lead to the formation of Josephson weak links between grains

  20. Anisotropic Transport Properties of Complex Metallic Alloys

    OpenAIRE

    Smontara, Ana; Dolinšek, Janez

    2010-01-01

    Anisotropic transport properties (electrical resistivity, ρ, and thermal conductivity, κ) of the Y-phase Al-Ni-Co, o-Al13Co4 and Al4(Cr,Fe) complex metallic alloys were investigated. They belong to the class of decagonal approximant phases with stacked-layer crystallographic structure and allowed us to study the evolution of anisotropic transport properties with increasing structural complexity and the unit cell size.

  1. Theoretical studies of the transport property of oligosilane

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The transport mechanisms of four-conjugated systems were comparatively studied by combining ATK and Gaussian 03 calculations.It was found that the charge-doped oligosilane behaved in a different way from the boron doped and phosphorus doped oligosilanes in terms of the transmission property.The charge-doped oligosilane showed almost no conductivity owing to the damage of the electron transfer path by charge-doping.By contrast,the boron doped and phosphorus doped oligosilanes were demonstrated to be good semiconductors and NDR behavior was observed for them.This is a reasonable result after the analysis of the transmission spectra,MPSH states,energy gap,conjugation effect,and scattering effect.

  2. Nanofluidics thermodynamic and transport properties

    CERN Document Server

    Michaelides, Efstathios E (Stathis)

    2014-01-01

    This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...

  3. 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.

  4. 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

  5. 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

  6. Utilizing carbon nanotube electrodes to improve charge injection and transport in bis(trifluoromethyl)-dimethyl-rubrene ambipolar single crystal transistors.

    Science.gov (United States)

    Xie, Wei; Prabhumirashi, Pradyumna L; Nakayama, Yasuo; McGarry, Kathryn A; Geier, Michael L; Uragami, Yuki; Mase, Kazuhiko; Douglas, Christopher J; Ishii, Hisao; Hersam, Mark C; Frisbie, C Daniel

    2013-11-26

    We have examined the significant enhancement of ambipolar charge injection and transport properties of bottom-contact single crystal field-effect transistors (SC-FETs) based on a new rubrene derivative, bis(trifluoromethyl)-dimethyl-rubrene (fm-rubrene), by employing carbon nanotube (CNT) electrodes. The fundamental challenge associated with fm-rubrene crystals is their deep-lying HOMO and LUMO energy levels, resulting in inefficient hole injection and suboptimal electron injection from conventional Au electrodes due to large Schottky barriers. Applying thin layers of CNT network at the charge injection interface of fm-rubrene crystals substantially reduces the contact resistance for both holes and electrons; consequently, benchmark ambipolar mobilities have been achieved, reaching 4.8 cm(2) V(-1) s(-1) for hole transport and 4.2 cm(2) V(-1) s(-1) for electron transport. We find that such improved injection efficiency in fm-rubrene is beneficial for ultimately unveiling its intrinsic charge transport properties so as to exceed those of its parent molecule, rubrene, in the current device architecture. Our studies suggest that CNT electrodes may provide a universal approach to ameliorate the charge injection obstacles in organic electronic devices regardless of charge carrier type, likely due to the electric field enhancement along the nanotube located at the crystal/electrode interface. PMID:24175573

  7. Charge, spin and thermal transport of graphene-based FNF multilayer

    Science.gov (United States)

    Karbaschi, H.; Rashedi, G.; Mojarabian, F. M.

    2015-07-01

    In this paper the impact of repetition of graphene-based ferromagnet-normal(FN) regions on the transport properties of system is studied, theoretically. Here, the purpose is to generalize the Fert-Grünberg FNF multijunction to a graphene-based one. Thus, parallel and antiparallel magnetization alignments of ferromagnetic regions are considered. The concept of quantum well is used to calculate the transmission probability using the Dirac-Bogoliubov-de Gennes equations. Charge, spin and thermal conductances are investigated for multilayer junctions in terms of magnetization alignments, strength of ferromagnets and thickness of ferromagnet regions. Finally charge, spin and thermal Giant magnetoresistances (GMR) are calculated for the above-mentioned structures. It is obtained that the spin conductance of antiparallel setups is zero, thus it can be used as a spin valve.

  8. Charge, spin and thermal transport of graphene-based FNF multilayer

    Energy Technology Data Exchange (ETDEWEB)

    Karbaschi, H., E-mail: h.karbaschi@sci.ui.ac.ir; Rashedi, G.; Mojarabian, F.M.

    2015-07-15

    In this paper the impact of repetition of graphene-based ferromagnet-normal(FN) regions on the transport properties of system is studied, theoretically. Here, the purpose is to generalize the Fert–Grünberg FNF multijunction to a graphene-based one. Thus, parallel and antiparallel magnetization alignments of ferromagnetic regions are considered. The concept of quantum well is used to calculate the transmission probability using the Dirac–Bogoliubov–de Gennes equations. Charge, spin and thermal conductances are investigated for multilayer junctions in terms of magnetization alignments, strength of ferromagnets and thickness of ferromagnet regions. Finally charge, spin and thermal Giant magnetoresistances (GMR) are calculated for the above-mentioned structures. It is obtained that the spin conductance of antiparallel setups is zero, thus it can be used as a spin valve.

  9. Characterization of transport properties of wasteform mixtures

    International Nuclear Information System (INIS)

    This study investigates the transport properties of different wasteform mixtures. The objective is to collect data to model the long-term service-life of a cement barrier/wasteform system and see how the wasteform affect the durability of the storage structure, which is expected to last many thousand years. Two different wasteform mixtures incorporating different slag and fly ash contents were tested. The materials were characterized using different experimental tests in order to estimate tortuosity, porosity, permeability and pore size distribution. The tests showed that despite a very high porosity, the wasteform mixtures exhibit very low transport properties values. Immersion tests in NaCl solution showed very slow chloride ingress in accordance with the transport properties. Furthermore, the two formulations showed a significant improvement in properties when slag content was increased. (authors)

  10. Transport Properties and Transport Phenomena in Casting Nickel Superalloys

    Science.gov (United States)

    Felicelli, S. D.; Sung, P. K.; Poirier, D. R.; Heinrich, J. C.

    1998-11-01

    Nickel superalloys that are used in the high-temperature regions of gas-turbine engines are cast by directional solidification (DS). In the DS processes, the castings are cooled from below, and three zones exist during solidification: (1) an all-solid zone at the bottom, (2) a "mushy zone" that is comprised of solid and liquid material, and (3) an overlying all-liquid zone. Computer simulations can be useful in predicting the complex transport phenomena that occur during solidification, but realistic simulations require accurate values of the transport properties. In addition to transport properties, the thermodynamic equilibria between the solid and liquid during solidification must also be known with reasonable accuracy. The importance of using reasonably accurate estimations of the transport properties is illustrated by two-dimensional simulations of the convection during solidification and the coincidental macrosegregation in the DS castings of multicomponent Ni-base alloys. In these simulations, we examine the sensitivity of the calculated results to measured partition ratios, thermal expansion coefficients, and viscosities that are estimated by regression analyses and correlations of existing property data.

  11. Charge Transport in Field-Effect Transistors based on Layered Materials and their Heterostructures

    Science.gov (United States)

    Kumar, Jatinder

    In the quest for energy efficiency and device miniaturization, the research in using atomically thin materials for device applications is gaining momentum. The electronic network in layered materials is different from 3D counterparts. It is due to the interlayer couplings and density of states because of their 2D nature. Therefore, understanding the charge transport in layered materials is fundamental to explore the vast opportunities these ultra-thin materials offer. Hence, the challenges targeted in the thesis are: (1) understanding the charge transport in layered materials based on electronic network of quantum and oxide capacitances, (2) studying thickness dependence, ranging from monolayer to bulk, of full range-characteristics of field-effect transistor (FET) based on layered materials, (3) investigating the total interface trap charges to achieve the ultimate subthreshold slope (SS) theoretically possible in FETs, (4) understanding the effect of the channel length on the performance of layered materials, (5) understanding the effect of substrate on performance of the TMDC FETs and studying if the interface of transition metal dichalcogenides (TMDCs)/hexagonalboron nitride (h-BN) can have less enough trap charges to observe ambipolar behavior, (6) Exploring optoelectronic properties in 2D heterostructures that includes understanding graphene/WS2 heterostructure and its optoelectronic applications by creating a p-n junction at the interface. The quality of materials and the interface are the issues for observing and extracting clean physics out of these layered materials and heterostructures. In this dissertation, we realized the use of quantum capacitance in layered materials, substrate effects and carrier transport in heterostructure.

  12. 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...

  13. 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.

  14. Charge transport and recombination in polyspirobifluorene blue light-emitting diodes

    NARCIS (Netherlands)

    Nicolai, H.T.; Hof, A.; Oosthoek, J.L.M.; Blom, P.W.M.

    2011-01-01

    The charge transport in blue light-emitting polyspirobifluorene is investigated by both steady-state current-voltage measurements and transient electroluminescence. Both measurement techniques yield consistent results and show that the hole transport is space-charge limited. The electron current is

  15. Impact of charge transport on current–voltage characteristics and power-conversion efficiency of organic solar cells

    Science.gov (United States)

    Würfel, Uli; Neher, Dieter; Spies, Annika; Albrecht, Steve

    2015-01-01

    This work elucidates the impact of charge transport on the photovoltaic properties of organic solar cells. Here we show that the analysis of current–voltage curves of organic solar cells under illumination with the Shockley equation results in values for ideality factor, photocurrent and parallel resistance, which lack physical meaning. Drift-diffusion simulations for a wide range of charge-carrier mobilities and illumination intensities reveal significant carrier accumulation caused by poor transport properties, which is not included in the Shockley equation. As a consequence, the separation of the quasi Fermi levels in the organic photoactive layer (internal voltage) differs substantially from the external voltage for almost all conditions. We present a new analytical model, which considers carrier transport explicitly. The model shows excellent agreement with full drift-diffusion simulations over a wide range of mobilities and illumination intensities, making it suitable for realistic efficiency predictions for organic solar cells. PMID:25907581

  16. Spin properties of charged Mn-doped quantum dota)

    Science.gov (United States)

    Besombes, L.; Léger, Y.; Maingault, L.; Mariette, H.

    2007-04-01

    The optical properties of individual quantum dots doped with a single Mn atom and charged with a single carrier are analyzed. The emission of the neutral, negatively and positively charged excitons coupled with a single magnetic atom (Mn) are observed in the same individual quantum dot. The spectrum of the charged excitons in interaction with the Mn atom shows a rich pattern attributed to a strong anisotropy of the hole-Mn exchange interaction slightly perturbed by a small valence-band mixing. The anisotropy in the exchange interaction between a single magnetic atom and a single hole is revealed by comparing the emission of a charged Mn-doped quantum dot in longitudinal and transverse magnetic field.

  17. 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.

  18. 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...

  19. 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.

  20. 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...

  1. Industrial Requirements for Thermodynamics and Transport Properties

    DEFF Research Database (Denmark)

    Hendriks, Eric; Kontogeorgis, Georgios; Dohrn, Ralf;

    2010-01-01

    This work reports the results of an investigation on industrial requirements for thermodynamic and transport properties carried out by the Working Party on Thermodynamic and Transport properties (http://www.wp-ttp.dk/) of the European Federation of Chemical Engineering, EFCE (http://www.efce.info......This work reports the results of an investigation on industrial requirements for thermodynamic and transport properties carried out by the Working Party on Thermodynamic and Transport properties (http://www.wp-ttp.dk/) of the European Federation of Chemical Engineering, EFCE (http......://www.efce.info/). A carefully designed questionnaire was sent to a number of key technical people in companies in the oil and gas, chemicals, and pharmaceutical/biotechnology sectors. Twenty-eight companies have provided answers which formed the basis for the analysis presented here. A number of previous reviews, specifically...... addressed to or written by industrial colleagues, are discussed initially. This provides the context of the survey and material with which the results of the survey can be compared. The results of the survey have been divided into the themes: data, models, systems, properties, education, and collaboration...

  2. 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...

  3. 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.

  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. Transport Properties of operational gas mixtures used at LHC

    OpenAIRE

    Assran, Yasser; Sharma, Archana

    2011-01-01

    This report summarizes some useful data on the transport characteristics of gas mixtures which are required for detection of charged particles in gas detectors. We try to replace Freon used for RPC detector in the CMS experiment with another gas while maintaining the good properties of the Freon gas mixture unchanged. We try to switch to freonless gas mixture because Freon is not a green gas, it is very expensive and its availability is decreasing. Noble gases like Ar, He, Ne and Xe (with som...

  6. 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.

  7. Transport properties of graphene and its application

    Science.gov (United States)

    Lu, Jianming

    This thesis focuses on the transport properties of graphene, a new emerging atomically thin, two-dimensional material, with and without the application of a magnetic field. Because of its high mobility, graphene is a promising candidate for Extraordinary Magnetoresistance (EMR) devices. The magnetoresistance of an EMR device arises mainly from its geometry rather than the intrinsic response of the material itself to an applied magnetic field. As a result, the geometric parameters play an important role in its performance. Experiments employing various combinations of geometric parameters and graphene of different quality levels were conducted to determine the optimal results. We found that the optimized parameters vary for different applied magnetic fields. In a magnetic field of 9 Tesla, magnetoresistance up to 55,000% was observed. In addition, Finite Element Analysis (FEA) simulations are used to complement the experiments and explain the measured magnetoresistance. The excellent agreement between the simulations and experimental results indicates that theoretical simulation can be used as a convenient method to explore EMR devices with alternative geometries or materials. The anomalous quantum Hall effect is one of the most exciting properties of graphene. The observation of the v=0 state above a critical magnetic field is closely related to the quality of the graphene, where a higher quality reduces the critical field needed. With our high quality graphene sample, the critical field is reduced to 6.75 Tesla. Moreover, from 6.75 T to 9T, the resistance at the cross point of the metal-insulator transition (MIT) is very close to h/2e2, which resembles the case of a disordered two-dimensional electron gas (2DEG) and may indicate a similar physical mechanism. In addition to the magnetotransport measurements, the current saturation of graphene in a high electric field is studied both theoretically and experimentally. This thesis focuses primarily on bilayer graphene

  8. 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 ...

  9. Transport properties of the calcium ionophore ETH-129.

    Science.gov (United States)

    Wang, E; Erdahl, W L; Hamidinia, S A; Chapman, C J; Taylor, R W; Pfeiffer, D R

    2001-12-01

    The transport mechanism and specificities of ionophore ETH-29 have been investigated in a highly defined phospholipid vesicle system, with the goal of facilitating the application of this compound to biological problems. ETH-129 transports Ca(2+) via an electrogenic mechanism, in contrast to A23187 and ionomycin, which function in a charge neutral manner. The rate of transport is a function of membrane potential, increasing by 3.9-fold per 59 mV over a broad range of that parameter. Rate is independent of the transmembrane pH gradient and strongly stimulated by the uncoupler carbonyl cyanide m-chlorophenylhydrazone when no external potential has been applied. The effect of uncoupler reflects the collapse of an opposing potential arising during Ca(2+) transport, but also reflects the formation of a mixed complex between the uncoupler, ETH-129, and Ca(2+) that readily permeates the vesicle membrane. Oleate does not substitute for the uncoupler in either regard. ETH-129 transports polyvalent cations according to the selectivity sequence La(3+) > Ca(2+) > Zn(2+) approximately equal to Sr(2+) > Co(2+) approximately equal to Ni(2+) approximately equal to Mn(2+), with the magnitude of the selectivity coefficients reflecting the cation concentration range considered. There is little or no activity for the transport of Na(+), K(+), and Mg(2+). These properties suggest that ETH-129 will be useful for investigating the consequences of a mitochondrial Ca(2+) overload in mammalian cells, which is difficult to pursue through the application of electroneutral ionophores. PMID:11720991

  10. 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.

  11. 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

  12. Charge Properties and Clay Mineral Composition of Tianbao Mountains Soils

    Institute of Scientific and Technical Information of China (English)

    HEJI-ZHENG; LIXUE-YUAN; 等

    1992-01-01

    The clay mineral association,oxides of clay fraction and surface charge properties of 7 soils,which are developed from granite,located at different altitudesof the Tianbao Mountains were studied.Results indicate that with the increase in altitude,1) the weathering process and desilicification of soil clay minerals became weaker,whereas the leaching depotassication and the formation process of hydroxy-aluminum interlayer got stronger;2)the contents of amorphous and complex aluminum and iron,and the activity of aluminum and iron oxides for soil clay fraction increased;and 3) the amount of variable negarive charge,anion exchange capacity and the values of PZC and PZNC also increased.The activity of aluminum and iron oxides,the accumulation of aluminum,and surface charge characteristics and their relation to clay oxides of the vertical zone soils were observed and recorded.

  13. Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

    Science.gov (United States)

    Zhao, Tianqi; Shi, Wen; Xi, Jinyang; Wang, Dong; Shuai, Zhigang

    2016-01-01

    Both intrinsic and extrinsic charge transport properties of methylammonium lead triiodide perovskites are investigated from first-principles. The weak electron-phonon couplings are revealed, with the largest deformation potential (~ 5 eV) comparable to that of single layer graphene. The intrinsic mobility limited by the acoustic phonon scattering is as high as a few thousands cm2 V−1 s−1 with the hole mobility larger than the electron mobility. At the impurity density of 1018 cm−3, the charged impurity scattering starts to dominate and lowers the electron mobility to 101 cm2 V−1 s−1 and the hole mobility to 72.2 cm2 V−1 s−1. The high intrinsic mobility warrants the long and balanced diffusion length of charge carriers. With the control of impurities or defects as well as charge traps in these perovskites, enhanced efficiencies of solar cells with simplified device structures are promised. PMID:26822239

  14. 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.

  15. Synthesis and properties of differently charged chemiluminescent acridinium ester labels.

    Science.gov (United States)

    Natrajan, Anand; Sharpe, David

    2013-02-14

    Chemiluminescent acridinium dimethylphenyl esters containing N-sulfopropyl groups in the acridinium ring are highly sensitive, hydrophilic labels that are used in automated immunoassays for clinical diagnostics. Light emission from these labels is triggered with alkaline peroxide in the presence of a cationic surfactant. At physiological pH, N-sulfopropyl acridinium esters exist as water adducts that are commonly referred to as pseudobases. Pseudobase formation, which results from addition of water to the zwitterionic N-sulfopropyl acridinium ring, neutralizes the positive charge on the acridinium nitrogen and imparts a net negative charge to the label due to the sulfonate moiety. As a consequence, N-sulfopropyl acridinium ester conjugates of small molecule haptens as well as large molecules such as proteins gain negative charges at neutral pH. In the current study, we describe the synthesis and properties of two new hydrophilic acridinium dimethylphenyl ester labels where the net charge in the labels was altered. In one label, the structure of the hydrophilic N-alkyl group attached to the acridinium ring was changed so that the pseudobase of the label contains no net charge. In the second acridinium ester, two additional negative charges in the form of sulfopropyl groups were added to the acridinium ring to make this label's pseudobase strongly anionic. Chemiluminescence measurements of these labels, as well as their conjugates of an antibody with a neutral pI, indicate that acridinium ester charge while having a modest effect on emission kinetics has little influence on light output. However, our results demonstrate that acridinium ester charge can affect protein pI, apparent chemiluminescence stability and non-specific binding of protein conjugates to microparticles. These results emphasize the need for careful consideration of acridinium ester charge in order to optimize reagent stability and performance in immunoassays. In the current study, we observed that

  16. Charge changing phosphorylated polymers: Proof of in situ mucoadhesive properties.

    Science.gov (United States)

    Bonengel, Sonja; Jelkmann, Max; Oh, Sejin; Mahmood, Arshad; Ijaz, Muhammad; Bernkop-Schnürch, Andreas

    2016-08-01

    The objective of this study was to design a novel polyethylene glycol (PEG) derivative exhibiting mucus permeating and mucoadhesive properties. Therefore, the enzymatically degradable phosphate ester, phosphotyrosine (Ptyr) was covalently attached to PEG-diamine. The synthesized PEG-Ptyr was studied in terms of enzymatic degradability on Caco 2 cells and by isolated intestinal alkaline phosphatase (IAP). Furthermore, the influence of enzymatic degradation on charge distribution of the polymer as well as on mucus diffusion and mucoadhesion was investigated. Within this study, the phosphate ester in PEG-Ptyr could be cleaved on the cell monolayer and by the isolated IAP, whereby the degradation rate was 10-fold higher utilizing the isolated enzyme. Implementation of negative charges on PEG due to modification with Ptyr led to an increased electrophoretic mobility, which was reduced after enzymatic degradation of the phosphate ester, most likely due to the alterations in charge distribution on the polymeric backbone. Interactions with mucus components were determined within mucus diffusion studies and rheological investigations. Herein, PEG-Ptyr showed a 3-fold lower mucus diffusion, after incubation with IAP. Within rheological investigations, dynamic viscosities increased by the factor of 3, after the phosphate ester in PEG-Ptyr was degraded by IAP. Results obtained within these experiments provided evidence for the in situ mucoadhesive properties of charge changing phosphorylated polymers. The combination of mucus permeating and mucoadhesive features of phosphorylated PEGs could be a highly interesting tool for future applications, such as for coating nanoparticles. PMID:27320696

  17. 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. PMID:27159015

  18. Transport properties in the Jovian atmosphere

    Science.gov (United States)

    Biolsi, L.

    1978-01-01

    Transport properties in a Jupiter-like atmosphere (89 mol % hydrogen and 11 mol % helium) are obtained by using the method of the kinetic theory of gases. The transport collision integrals are calculated by fitting various two-body semiempirical interaction potentials for which the collision integrals are tabulated to ab initio quantum mechanical calculations of the two-body interactions. The collision integrals are used to calculate the binary diffusion coefficients, viscosity, and 'total' thermal conductivity of the pure gases and the gas mixtures at 1-atm pressure from 1000 K to 25,000 K.

  19. Transport properties of inertial confinement fusion plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Issanova, M.K.; Kodanova, S.K.; Ramazanov, T.S. [IETP, Al-Farabi Kazakh National University, Almaty (Kazakhstan); Hoffmann, D.H.H. [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany)

    2016-06-15

    In this paper the transport properties of non-isothermal dense deuterium-tritium plasmas were studied. Based on the effective interaction potentials between particles, the Coulomb logarithm for a two-temperature nonisothermal dense plasma was obtained. These potentials take into consideration long-range multi-particle screening effects and short-range quantum-mechanical effects in two-temperature plasmas. Transport processes in such plasmas were studied using the Coulomb logarithm. The obtained results were compared with the theoretical works of other authors and with the results of molecular dynamics simulations. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Transport Properties of operational gas mixtures used at LHC

    CERN Document Server

    Assran, Yasser

    2011-01-01

    This report summarizes some useful data on the transport characteristics of gas mixtures which are required for detection of charged particles in gas detectors. We try to replace Freon used for RPC detector in the CMS experiment with another gas while maintaining the good properties of the Freon gas mixture unchanged. We try to switch to freonless gas mixture because Freon is not a green gas, it is very expensive and its availability is decreasing. Noble gases like Ar, He, Ne and Xe (with some quenchers like carbon dioxide, methane, ethane and isobutene) are investigated. Transport parameters like drift velocity, diffusion, Townsend coefficient, attachment coefficient and Lorentz angle are computed using Garfield software for different gas mixtures and compared with experimental data.

  1. Topological phases and transport properties of screened interacting quantum wires

    Science.gov (United States)

    Xu, Hengyi; Xiong, Ye; Wang, Jun

    2016-10-01

    We study theoretically the effects of long-range and on-site Coulomb interactions on the topological phases and transport properties of spin-orbit-coupled quasi-one-dimensional quantum wires imposed on a s-wave superconductor. The distributions of the electrostatic potential and charge density are calculated self-consistently within the Hartree approximation. Due to the finite width of the wires and charge repulsion, the potential and density distribute inhomogeneously in the transverse direction and tend to accumulate along the lateral edges where the hard-wall confinement is assumed. This result has profound effects on the topological phases and the differential conductance of the interacting quantum wires and their hybrid junctions with superconductors. Coulomb interactions renormalize the gate voltage and alter the topological phases strongly by enhancing the topological regimes and producing jagged boundaries. Moreover, the multicritical points connecting different topological phases are modified remarkably in striking contrast to the predictions of the two-band model. We further suggest the possible non-magnetic topological phase transitions manipulated externally with the aid of long-range interactions. Finally, the transport properties of normal-superconductor junctions are further examined, in particular, the impacts of Coulomb interactions on the zero-bias peaks related to the Majorana fermions and near zero-energy peaks.

  2. 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.

  3. 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

  4. Back Electron Transfer Suppresses the Periodic Length Dependence of DNA-mediated Charge Transport Across Adenine Tracts

    OpenAIRE

    Genereux, Joseph C.; Augustyn, Katherine E.; Davis, Molly L.; Shao, Fangwei; Barton, Jacqueline K.

    2008-01-01

    DNA-mediated charge transport (CT) is exquisitely sensitive to the integrity of the bridging π-stack and is characterized by a shallow distance dependence. These properties are obscured by poor coupling between the donor/acceptor pair and the DNA bridge, or by convolution with other processes. Previously, we found a surprising periodic length dependence for the rate of DNA-mediated CT across adenine tracts monitored by 2-aminopurine fluorescence. Here we report a similar periodicity by monito...

  5. Microscopic studies of the fate of charges in organic semiconductors: Scanning Kelvin probe measurements of charge trapping, transport, and electric fields in p- and n-type devices

    Science.gov (United States)

    Smieska, Louisa Marion

    Organic semiconductors could have wide-ranging applications in lightweight, efficient electronic circuits. However, several fundamental questions regarding organic electronic device behavior have not yet been fully addressed, including the nature of chemical charge traps, and robust models for injection and transport. Many studies focus on engineering devices through bulk transport measurements, but it is not always possible to infer the microscopic behavior leading to the observed measurements. In this thesis, we present scanning-probe microscope studies of organic semiconductor devices in an effort to connect local properties with local device behavior. First, we study the chemistry of charge trapping in pentacene transistors. Working devices are doped with known pentacene impurities and the extent of charge trap formation is mapped across the transistor channel. Trap-clearing spectroscopy is employed to measure an excitation of the pentacene charge trap species, enabling identification of the degradationrelated chemical trap in pentacene. Second, we examine transport and trapping in peryelene diimide (PDI) transistors. Local mobilities are extracted from surface potential profiles across a transistor channel, and charge injection kinetics are found to be highly sensitive to electrode cleanliness. Trap-clearing spectra generally resemble PDI absorption spectra, but one derivative yields evidence indicating variation in trap-clearing mechanisms for different surface chemistries. Trap formation rates are measured and found to be independent of surface chemistry, contradicting a proposed silanol trapping mechanism. Finally, we develop a variation of scanning Kelvin probe microscopy that enables measurement of electric fields through a position modulation. This method avoids taking a numeric derivative of potential, which can introduce high-frequency noise into the electric field signal. Preliminary data is presented, and the theoretical basis for electric field

  6. Transport properties of golden SmS

    International Nuclear Information System (INIS)

    We report electrical resistivity and Hall effect measurements on golden SmS up to a pressure of P∼26kbar. The Hall coefficient at a low temperature shows a drastic decrease above about 13 kbar as a function of P, and a change in sign at a critical pressure Pc2 above which an antiferromagnetically ordered phase appears. We construct a P-T phase diagram from the transport properties together with previously reported results of the ac magnetic susceptibility

  7. Transport Properties for Triangular Barriers in Graphene

    OpenAIRE

    Mouhafid, Abderrahim El; Jellal, Ahmed

    2013-01-01

    We theoretically study the electronic transport properties of Dirac fermions through one and double triangular barriers in graphene. Using the transfer matrix method, we determine the transmission, conductance and Fano factor. They are obtained to be various parameters dependent such as well width, barrier height and barrier width. Therefore, different discussions are given and comparison with the previous significant works is done. In particular, it is shown that at Dirac point the Dirac fer...

  8. 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...

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

    DEFF Research Database (Denmark)

    Goertz, Simon; Klose, Andreas

    2007-01-01

    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....... Finally, we briefly compare some exact solution algorithms for this problem....

  10. 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.

  11. Predictive charge-regulation transport model for nanofiltration from the theory of irreversible processes

    NARCIS (Netherlands)

    Lint, de W.B. Samuel; Benes, Nieck E.

    2004-01-01

    The charge-regulation concept is combined with the theory of irreversible processes to predict multi-component electrolyte transport in nanofiltration membranes. Charging of the membrane surface is described using a 1-pK site-binding model with a triple-layer electrostatic description. Mass transpor

  12. An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

    Science.gov (United States)

    Hendrickson, Heidi Phillips

    A fundamental understanding of charge separation in organic materials is necessary for the rational design of optoelectronic devices suited for renewable energy applications and requires a combination of theoretical, computational, and experimental methods. Density functional theory (DFT) and time-dependent (TD)DFT are cost effective ab-initio approaches for calculating fundamental properties of large molecular systems, however conventional DFT methods have been known to fail in accurately characterizing frontier orbital gaps and charge transfer states in molecular systems. In this dissertation, these shortcomings are addressed by implementing an optimally-tuned range-separated hybrid (OT-RSH) functional approach within DFT and TDDFT. The first part of this thesis presents the way in which RSH-DFT addresses the shortcomings in conventional DFT. Environmentally-corrected RSH-DFT frontier orbital energies are shown to correspond to thin film measurements for a set of organic semiconducting molecules. Likewise, the improved RSH-TDDFT description of charge transfer excitations is benchmarked using a model ethene dimer and silsesquioxane molecules. In the second part of this thesis, RSH-DFT is applied to chromophore-functionalized silsesquioxanes, which are currently investigated as candidates for building blocks in optoelectronic applications. RSH-DFT provides insight into the nature of absorptive and emissive states in silsesquioxanes. While absorption primarily involves transitions localized on one chromophore, charge transfer between chromophores and between chromophore and silsesquioxane cage have been identified. The RSH-DFT approach, including a protocol accounting for complex environmental effects on charge transfer energies, was tested and validated against experimental measurements. The third part of this thesis addresses quantum transport through nano-scale junctions. The ability to quantify a molecular junction via spectroscopic methods is crucial to their

  13. Unusual Charge Transport and Spin Response of Doped Bilayer Triangular Antiferromagnets

    Institute of Scientific and Technical Information of China (English)

    LIANG Ying; MA Tian-Xing; FENG Shi-Ping

    2003-01-01

    Within the t-J model, the charge transport and spin response of the doped bilayer triangular antiferromagnetare studied by considering the bilayer interaction. Although the bilayer interaction leads to the band splitting in theelectronic structure, the qualitative behaviors of the physical properties are the same as in the single layer case. Theconductivity spectrum shows the low-energy peak and unusual midinfrared band, the temperature-dependent resistivityis characterized by the nonlinearity metallic-like behavior in the higher temperature range and the deviation from themetallic-like behavior in the lower temperature range and the commensurate neutron scattering peak near the half-fillingis split into six incommensurate peaks in the underdoped regime, with the incommensurability increasing with the holeconcentration at lower dopings, and saturating at higher dopings.

  14. 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.

  15. Charge transport and rectification in molecular junctions formed with carbon-based electrodes.

    Science.gov (United States)

    Kim, Taekyeong; Liu, Zhen-Fei; Lee, Chulho; Neaton, Jeffrey B; Venkataraman, Latha

    2014-07-29

    Molecular junctions formed using the scanning-tunneling-microscope-based break-junction technique (STM-BJ) have provided unique insight into charge transport at the nanoscale. In most prior work, the same metal, typically Au, Pt, or Ag, is used for both tip and substrate. For such noble metal electrodes, the density of electronic states is approximately constant within a narrow energy window relevant to charge transport. Here, we form molecular junctions using the STM-BJ technique, with an Au metal tip and a microfabricated graphite substrate, and measure the conductance of a series of graphite/amine-terminated oligophenyl/Au molecular junctions. The remarkable mechanical strength of graphite and the single-crystal properties of our substrates allow measurements over few thousand junctions without any change in the surface properties. We show that conductance decays exponentially with molecular backbone length with a decay constant that is essentially the same as that for measurements with two Au electrodes. More importantly, despite the inherent symmetry of the oligophenylamines, we observe rectification in these junctions. State-of-art ab initio conductance calculations are in good agreement with experiment, and explain the rectification. We show that the highly energy-dependent graphite density of states contributes variations in transmission that, when coupled with an asymmetric voltage drop across the junction, leads to the observed rectification. Together, our measurements and calculations show how functionality may emerge from hybrid molecular-scale devices purposefully designed with different electrodes beyond the so-called "wide band limit," opening up the possibility of assembling molecular junctions with dissimilar electrodes using layered 2D materials.

  16. Magnetothermoelectric transport properties of multiterminal graphene nanoribbons

    Science.gov (United States)

    Wei, Miao-Miao; Zhang, Ying-Tao; Guo, Ai-Min; Liu, Jian-Jun; Xing, Yanxia; Sun, Qing-Feng

    2016-06-01

    The Peltier effect and the Ettingshausen effect are investigated in graphene nanoribbons, where charge current produces heat current along the longitudinal direction in the former case, and longitudinal charge current generates transverse heat current in the latter case. With the aid of the nonequilibrium Green's function and the Landauer-Büttiker formalism, the Peltier coefficient Πc and the Ettingshausen coefficient Ec are obtained. We found that the Kelvin relation is always valid for the longitudinal thermoelectric transport, i.e., Πc=T Sc , with T the temperature and Sc the Seebeck coefficient. In contrast, for transverse magnetothermoelectric transport, the Kelvin relation breaks down and Ec≠T Nc usually, with Nc the Nernst coefficient. In the region of weak magnetic field, the Ettingshausen effect depends strongly on device parameters. When the Fermi energy EF is close to the Dirac point, the Ettingshausen effect of the semiconducting armchair graphene nanoribbon is much stronger than that of the metallic one. When EF is far away from the Dirac point, the Ettingshausen coefficient Ec oscillates around zero. When under a strong magnetic field, Ec is independent of the device parameters and swells only near the Dirac point. Further, the dependence of Ec on EF can be scaled by EF/kBT , with a peak value of (2 ln2 ) kBT /e for the three-terminal system and (4/3 ln2 ) kBT /e for the four-terminal system. We also study the impact of disorder on the Ettingshausen effect. Regardless of the magnetic field strength, Ec is robust against moderate disorder scattering. In addition, in the strong magnetic field, Ec with additional regular oscillating structure can be caused by disorder.

  17. 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.

  18. Requirements for Forming Efficient 3-D Charge Transport Pathway in Diketopyrrolopyrrole-Based Copolymers: Film Morphology vs Molecular Packing.

    Science.gov (United States)

    Lee, Gang-Young; Han, A-Reum; Kim, Taewan; Lee, Hae Rang; Oh, Joon Hak; Park, Taiho

    2016-05-18

    To achieve extremely high planarity and processability simultaneously, we have newly designed and synthesized copolymers composed of donor units of 2,2'-(2,5-dialkoxy-1,4-phenylene)dithieno[3,2-b]thiophene (TT-P-TT) and acceptor units of diketopyrrolopyrrole (DPP). These copolymers consist of a highly planar backbone due to intramolecular interactions. We have systematically investigated the effects of intermolecular interactions by controlling the side chain bulkiness on the polymer thin-film morphologies, packing structures, and charge transport. The thin-film microstructures of the copolymers are found to be critically dependent upon subtle changes in the intermolecular interactions, and charge transport dynamics of the copolymer based field-effect transistors (FETs) has been investigated by in-depth structure-property relationship study. Although the size of the fibrillar structures increases as the bulkiness of the side chains in the copolymer increases, the copolymer with the smallest side chain shows remarkably high charge carrier mobility. Our findings reveal the requirement for forming efficient 3-D charge transport pathway and highlight the importance of the molecular packing and interdomain connectivity, rather than the crystalline domain size. The results obtained herein demonstrate the importance of tailoring the side chain bulkiness and provide new insights into the molecular design for high-performance polymer semiconductors. PMID:27117671

  19. Phenomena of charged particles transport in variable magnetic fields

    CERN Document Server

    Savane, S Y; Faza-Barry, M; Vladmir, L

    2002-01-01

    This present work is dedicated to the study of the dynamical phenomena for the transport of ions in the presence of variable magnetic fields in front of the Jupiter wave shock. We obtain the spectrum of the accelerated ions and we study the conditions of acceleration by solving the transport equation in the planetocentric system. We discuss the theoretical results obtained and make a comparison with the experimental parameters in the region of acceleration behind the Jupiter wave shock.

  20. 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...

  1. Electronic and transport properties of kinked graphene

    Directory of Open Access Journals (Sweden)

    Jesper Toft Rasmussen

    2013-02-01

    Full Text Available Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT, we investigate the reaction barrier reduction for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15% for realistic radii of curvature (≈20 Å and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates into a transport gap for electronic transport across the kink lines. We finally consider pseudo-ribbon-based heterostructures and propose that such structures present a novel approach for band gap engineering in nanostructured graphene.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

    -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...

  3. 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.

  4. Transport properties of ultrathin black phosphorus on hexagonal boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Doganov, Rostislav A.; Özyilmaz, Barbaros [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Graduate School for Integrative Sciences and Engineering (NGS), National University of Singapore, 28 Medical Drive, 117456 Singapore (Singapore); Koenig, Steven P.; Yeo, Yuting [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Watanabe, Kenji; Taniguchi, Takashi [National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2015-02-23

    Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO{sub 2} substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO{sub 2} substrates and reduces the hysteresis at room temperature.

  5. Transport properties of ultrathin black phosphorus on hexagonal boron nitride

    International Nuclear Information System (INIS)

    Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO2 substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO2 substrates and reduces the hysteresis at room temperature

  6. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    Science.gov (United States)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  7. Transport properties of individual C60-molecules

    International Nuclear Information System (INIS)

    Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through binding to one or two C-atoms of C60 with a tendency to promote the  sp2-hybridization into an  sp3-type one. Transport in these junctions is primarily through an unoccupied molecular orbital that is partly hybridized with the Au, which results in splitting the degeneracy of the lowest unoccupied molecular orbital triplet. The transmission through these junctions, however, cannot be modeled by a single Lorentzian resonance, as our results show evidence of quantum interference between an occupied and an unoccupied orbital. The interference results in a suppression of conductance around the Fermi energy. Our numerical findings are readily analyzed analytically within a simple two-level model

  8. Transport properties of individual C60-molecules

    Science.gov (United States)

    Géranton, G.; Seiler, C.; Bagrets, A.; Venkataraman, L.; Evers, F.

    2013-12-01

    Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through binding to one or two C-atoms of C60 with a tendency to promote the sp2-hybridization into an sp3-type one. Transport in these junctions is primarily through an unoccupied molecular orbital that is partly hybridized with the Au, which results in splitting the degeneracy of the lowest unoccupied molecular orbital triplet. The transmission through these junctions, however, cannot be modeled by a single Lorentzian resonance, as our results show evidence of quantum interference between an occupied and an unoccupied orbital. The interference results in a suppression of conductance around the Fermi energy. Our numerical findings are readily analyzed analytically within a simple two-level model.

  9. Electron transport properties of cobalt doped polyaniline

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, P [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Sarkar, A [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Meikap, A K [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Chattopadhyay, S K [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Chatterjee, S K [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Ghosh, M [Department of Physics, Ramananda College, Bishnupur, Bankura-722 122, West Bengal (India)

    2006-07-21

    Electrical transport properties of cobalt doped polyaniline in an aqueous ethanol medium were investigated in the temperature range 77 {<=} T {<=} 300 K, applying magnetic fields up to 1 T in the frequency range 20 Hz-1 MHz. The room temperature dc resistivity increases with increase in Co content. The dc resistivity and magnetoresistivity of these samples have been interpreted in terms of the variable range hopping theory. The frequency dependence of conductivity has been described by a power law {sigma}({omega}) {approx} {omega}{sup S}. The value of s is found to be temperature dependent, which shows a decreasing trend with temperature. The correlated barrier hopping model is the most likely mechanism for the electron transport. The different physical parameters were calculated from the experimental data.

  10. Momentum transfer theory of non-conservative charged particle transport in crossed electric and magnetic fields

    International Nuclear Information System (INIS)

    Momentum - transfer approximation is applied to momentum and energy balance equations describing reacting particle swarms in gases in crossed electric and magnetic fields. Transport coefficients of charged particles undergoing both inelastic and reactive, non-particle-conserving collisions with a gas of neutral molecules are calculated. Momentum - transfer theory (MTT) has been developed mainly by Robson and collaborators. It has been applied to a single reactive gas and mixtures of reactive gases in electric field only. MTT has also been applied in crossed electric and magnetic fields recently and independently of our work but the reactive collisions were not considered. Consider a swarm of electrons of charge e and mass m moving with velocity rvec v through a neutral gas under the influence of an applied electric rvec E and magnetic rvec B field. The collision processes which we shall investigate are limited to elastic, inelastic and reactive collisions of electrons with gas molecules. Here we interpret reactive collisions as collisions which produce change in number of the swarm particles. Reactive collisions involve creation (ionization by electron impact) or loss (electron attachment) of swarm particles. We consider only single ionization in approximation of the mass ratio m/m00 are masses of electrons and neutral particles, respectively. We assume that the stage of evolution of the swarm is the hydrodynamic limit (HDL). In HDL, the space - time dependence of all properties is carried by the number density n of swarm particles

  11. 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.

  12. Charge transport in dye-sensibilized porous zinc oxide films; Ladungstransport in farbstoffsensibilisierten poroesen Zinkoxidfilmen

    Energy Technology Data Exchange (ETDEWEB)

    Reemts, J.

    2006-05-18

    During the last decades, zinc oxide has attracted a lot of attention as an important material in various electrical, chemical, and optical applications. In the present work results are discussed gained from investigations of highly porous electrochemically deposited zinc oxide, which is a promising electrode material both in the area of solar energy conversion and sensor technology. The films were prepared by adding detergents during the electrodeposition process. The detergents have a structure-directing influence during the film deposition and, therefore, on the morphology of the films. The obtained electrodes can easily be sensitized for light or different chemicals by a simple adsorption of different molecules. In the present work I discuss the fundamental charge transport properties of electrochemically deposited zinc oxide films. Temperature-dependent measurements of the current-voltage characteristics are carried out and the spectral response of the photoconductivity is investigated. In order to understand the charge transport properties of this highly porous material, it is necessary to get a deeper insight in the electrode morphology. Therefore, different optical and scanning probe microscopy methods are used to characterize the inner structure of the electrodes. The electrical conductivity of the zinc oxide films can be seen as a thermally activated process, which can be explained by electronic transitions from the valence band of the zinc oxide to two shallow impurity levels. The current-voltage characteristic unveils a nonlinear behavior which can be explained by a space-charge-limited current model with traps distributed in energy. Upon excitation with different wavelengths, the conductivity of the zinc oxide increases already under sub-band gap illumination due to widely distributed trap states within the band gap. The transients of the photoconductivity follow a stretched exponential law with time scales in the range of several hours, either if the

  13. TRANSPORT PROPERTIES OF THE STRONGLY CORRELATED SYSTEMS

    Directory of Open Access Journals (Sweden)

    T.Domanski

    2004-01-01

    Full Text Available The transport properties of various systems are studied here in the context of three different models. These are: - the disordered Hubbard model applicable to correlated binary alloys with a general disorder, - the Anderson model used in describing the Kondo physics of a quantum dot connected to the external superconducting leads, and - the Ranninger-Robaszkiewicz model applied to the study of optical properties of the system with preformed electron pairs above the temperature of transition to the superconducting state. We calculate the density of states, specific heat, the Wilson ratio and conductivity of the correlated binary alloy with off-diagonal disorder. We investigate the conditions under which the Kondo peak appears in the density of states and in the conductance of a dot coupled to the external superconducting leads. We analyze the effect of the pseudogap on the optical spectra in the high temperature superconductors described by the boson-fermion model.

  14. 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

  15. Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties

    DEFF Research Database (Denmark)

    Voroshylova, I. V.; Chaban, V. V.

    2014-01-01

    (trifluoromethanesulfonyl)imide, dicyanamide, hexafluorophosphate, triflate, chloride). We elaborate a systematic procedure, which allows accounting for specific cationanion interactions in the liquid phase. Once these interactions are described accurately, all experimentally determined transport properties can be reproduced. We prove...... that three parameters per interaction site (atom diameter, depth of potential well, point electrostatic charge) provide a sufficient basis to predict thermodynamics (heat of vaporization, density), structure (radial distributions), and transport (diffusion, viscosity, conductivity) of ILs at room conditions...

  16. Dimensionality-dependent charge transport in close-packed nanoparticle arrays: from 2D to 3D

    Science.gov (United States)

    Wang, Ying; Duan, Chao; Peng, Lianmao; Liao, Jianhui

    2014-12-01

    Charge transport properties in close-packed nanoparticle arrays with thickness crossing over from two dimensions to three dimensions have been studied. The dimensionality transition of nanoparticle arrays was realized by continually printing spatially well-defined nanoparticle monolayers on top of the device in situ. The evolution of charge transport properties depending on the dimensionality has been investigated in both the Efros-Shaklovskii variable-range-hopping (ES-VRH) (low temperature) regime and the sequential hopping (SH) (medium temperature) regime. We find that the energy barriers to transport decrease when the thickness of nanoparticle arrays increases from monolayer to multilayers, but start to level off at the thickness of 4-5 monolayers. The energy barriers are characterized by the coefficient βD at ES-VRH regime and the activation energy Ea at SH regime. Moreover, a turning point for the temperature coefficient of conductance was observed in multilayer nanoparticle arrays at high temperature, which is attributed to the increasing mobility with decreasing temperature of hopping transport in three dimensions.

  17. 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

  18. Entanglements in Marginal Solutions: A Means of Tuning Pre-Aggregation of Conjugated Polymers with Positive Implications for Charge Transport

    KAUST Repository

    Hu, Hanlin

    2015-06-17

    The solution-processing of conjugated polymers, just like commodity polymers, is subject to solvent and molecular weight-dependent solubility, interactions and chain entanglements within the polymer, all of which can influence the crystallization and microstructure development in semi-crystalline polymers and consequently affect charge transport and optoelectronic properties. Disentanglement of polymer chains in marginal solvents was reported to work via ultrasonication, facilitating the formation of photophysically ordered polymer aggregates. In this contribution, we explore how a wide range of technologically relevant solvents and formulations commonly used in organic electronics influence chain entanglement and the aggregation behaviour of P3HT using a combination of rheological and spectrophotometric measurements. The specific viscosity of the solution offers an excellent indication of the degree of entanglements in the solution, which is found to be related to the solubility of P3HT in a given solvent. Moreover, deliberately disentangling the solution in the presence of solvophobic driving forces, leads consistently to formation of photophysically visible aggregates which is indicative of local and perhaps long range order in the solute. We show for a broad range of solvents and molecular weights that disentanglement ultimately leads to significant ordering of the polymer in the solid state and a commensurate increase in charge transport properties. In doing so we demonstrate a remarkable ability to tune the microstructure which has important implications for transport properties. We discuss its potential implications in the context of organic photovoltaics.

  19. Rigid band shifts, charge pinning, and charge transport through graphene junctions with wetting metal contacts

    Science.gov (United States)

    Bothwell, Tobias; Barraza-Lopez, Salvador

    2014-03-01

    It is a common perception that graphene band shifts cannot be determined directly when attached to chemisorbed (``wetting'') metals due to the hybridization of graphene bands around the Dirac point. Graphene has deeper energy (sigma) bands which don't hybridize with the metal's bands, providing a definite measure of actual shifts. Looking at hybridization in a controlled way (by varying the metal/graphene separation by hand) one realizes the shifts can actually be considered rigid, i.e., σ - and p - bands shift by about the same energy ΔE. In a related context, charge depinning is the modification of graphene's electron density at a metal/graphene interface with a (back) gate. Depinning happens at metal/graphene interfaces with physisorbed (non-wetting) metals. Oxidation or contamination at the interface can lead to charge depinning as well. Using first-principles calculations, we establish a link between charge depinning at a wetting metal/graphene interface and the quality of such an interface. For this purpose, metal/graphene/insulator structures are studied under transverse bias. We also report transmission coefficients through nanoscale two-terminal graphene/metal junctions.

  20. Electrical transport properties of manganite powders under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, M.G. [Laboratorio de Bajas Temperaturas, Departamento de Fisica, FCEyN, UBA, and IFIBA (CONICET), Ciudad Universitaria, (C1428EHA) Buenos Aires (Argentina); Leyva, A.G. [Gerencia de Investigacion y Aplicaciones, CAC, Comision Nacional de Energia Atomica, Gral Paz 1499, 1650 San Martin, Buenos Aires (Argentina); Acha, C., E-mail: acha@df.uba.ar [Laboratorio de Bajas Temperaturas, Departamento de Fisica, FCEyN, UBA, and IFIBA (CONICET), Ciudad Universitaria, (C1428EHA) Buenos Aires (Argentina)

    2012-08-15

    We have measured the electrical resistance of micrometric to nanometric powders of the La{sub 5/8-y}Pr{sub y}Ca{sub 3/8}MnO{sub 3} (LPCMO with y=0.3) manganite for hydrostatic pressures up to 4 kbar. By applying different final thermal treatments to samples synthesized by a microwave assisted denitration process, we obtained two particular grain characteristic dimensions (40 nm and 1000 nm) which allowed us to analyze the grain size sensitivity of the electrical conduction properties of both the metal electrode interface with manganite (Pt/LPCMO) and the intrinsic intergranular interfaces formed by the LPCMO powder, conglomerate under the only effect of external pressure. We also analyzed the effects of pressure on the phase diagram of these powders. Our results indicate that different magnetic phases coexist at low temperatures and that the electrical transport properties are related to the intrinsic interfaces, as we observe evidences of a granular behavior and an electronic transport dominated by the Space Charge limited Current mechanism.

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

    Science.gov (United States)

    Pan, Qingjiang

    This dissertation addresses the problem of energization of particles (both electrons and ions) to tens and hundreds of keV and the associated transport process in the magnetotail during substorms. Particles energized in the magnetotail are further accelerated to even higher energies (hundreds of keV to MeV) in the radiation belts, causing space weather hazards to human activities in space and on ground. We develop an analytical model to quantitatively estimate flux changes caused by betatron and Fermi acceleration when particles are transported along narrow high-speed flow channels from the magnetotail to the inner magnetosphere. The model shows that energetic particle flux can be significantly enhanced by a modest compression of the magnetic field and/or shrinking of the distance between the magnetic mirror points. We use coordinated spacecraft measurements, global magnetohydrodynamic (MHD) simulations driven by measured upstream solar wind conditions, and large-scale kinetic (LSK) simulations to quantify electron local acceleration in the near-Earth reconnection region and nonlocal acceleration during plasma earthward transport. Compared to the analytical model, application of the LSK simulations is much less restrictive because trajectories of millions of test particles are calculated in the realistically determined global MHD fields and the results are statistical. The simulation results validated by the observations show that electrons following a power law distribution at high energies are generated earthward of the reconnection site, and that the majority of the energetic electrons observed in the inner magnetosphere are caused by adiabatic acceleration in association with magnetic dipolarizations and fast flows during earthward transport. We extend the global MHD+LSK simulations to examine ion energization and compare it with electron energization. The simulations demonstrate that ions in the magnetotail are first nonadiabatically accelerated in the weak

  2. Charge Transport in Carbon Nanotubes-Polymer Composite Photovoltaic Cells

    Directory of Open Access Journals (Sweden)

    Joel Davenas

    2009-06-01

    Full Text Available We investigate the dark and illuminated current density-voltage (J/V characteristics of poly(2-methoxy-5-(2’-ethylhexyloxy1-4-phenylenevinylene (MEH-PPV/single-walled carbon nanotubes (SWNTs composite photovoltaic cells. Using an exponential band tail model, the conduction mechanism has been analysed for polymer only devices and composite devices, in terms of space charge limited current (SCLC conduction mechanism, where we determine the power parameters and the threshold voltages. Elaborated devices for MEH-PPV:SWNTs (1:1 composites showed a photoresponse with an open-circuit voltage Voc of 0.4 V, a short-circuit current density JSC of 1 µA/cm² and a fill factor FF of 43%. We have modelised the organic photovoltaic devices with an equivalent circuit, where we calculated the series and shunt resistances.

  3. 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.

  4. Absence of finite-temperature ballistic charge (and spin) transport in the 1D Hubbard model at half filling (and zero spin density)

    International Nuclear Information System (INIS)

    Finite-temperature T > 0 transport properties of integrable and nonintegrable one-dimensional (1D) many-particle quantum systems are rather different, showing ballistic and diffusive behavior, respectively. The repulsive 1D Hubbard model is a prominent example of an integrable correlated system. For electronic densities n ≠ 1 (and spin densities m ≠ 0) it is an ideal charge (and spin) conductor, with ballistic charge (and spin) transport for T ⩾ 0. In spite of the fact that it is solvable by the Bethe ansatz, at n = 1 (and m = 0) its T > 0 charge (and spin) transport properties are an issue that remains poorly understood. Here we combine this solution with symmetry and the explicit calculation of current-operator matrix elements between energy eigenstates to show that for on-site repulsion U > 0 and at n = 1 the charge stiffness Dη(T) vanishes for T > 0 in the thermodynamic limit. A similar behavior is found by such methods for the spin stiffness Ds(T) for U > 0 and T > 0, which vanishes at m = 0. This absence of finite temperature n = 1 ballistic charge transport and m = 0 ballistic spin transport are exact results that clarify long-standing open problems. (paper)

  5. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Carey, D.C. [Fermi National Accelerator Lab., Batavia, IL (United States); Brown, K.L.; Rothacker, F. [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    1995-05-01

    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. Defect chemistry and transport properties of BaxCe0.85M0.15O3-d

    OpenAIRE

    Wu, J.; Li, L. P.; Espinosa, W. T. P.; Haile, S. M.

    2004-01-01

    The site-incorporation mechanism of M3+ dopants into A2+B4+O3 perovskites controls the overall defect chemistry and thus their transport properties. For charge-balance reasons, incorporation onto the A2+-site would require the creation of negatively charged point defects (such as cation vacancies), whereas incorporation onto the B4+-site is accompanied by the generation of positively charged defects, typically oxygen vacancies. Oxygen-vacancy content, in turn, is relevant to proton-conducting...

  8. Comparing Charge Transport in Oligonucleotides: RNA:DNA Hybrids and DNA Duplexes.

    Science.gov (United States)

    Li, Yuanhui; Artés, Juan M; Qi, Jianqing; Morelan, Ian A; Feldstein, Paul; Anantram, M P; Hihath, Joshua

    2016-05-19

    Understanding the electronic properties of oligonucleotide systems is important for applications in nanotechnology, biology, and sensing systems. Here the charge-transport properties of guanine-rich RNA:DNA hybrids are compared to double-stranded DNA (dsDNA) duplexes with identical sequences. The conductance of the RNA:DNA hybrids is ∼10 times higher than the equivalent dsDNA, and conformational differences are determined to be the primary reason for this difference. The conductance of the RNA:DNA hybrids is also found to decrease more rapidly than dsDNA when the length is increased. Ab initio electronic structure and Green's function-based density of states calculations demonstrate that these differences arise because the energy levels are more spatially distributed in the RNA:DNA hybrid but that the number of accessible hopping sites is smaller. These combination results indicate that a simple hopping model that treats each individual guanine as a hopping site is insufficient to explain both a higher conductance and β value for RNA:DNA hybrids, and larger delocalization lengths must be considered. PMID:27145167

  9. 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

    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...... important aspects of supplier selection, an important application of the SSFCTP, this does not reflect the real life situation. First, transportation costs faced by many companies are in fact piecewise linear. Secondly, when suppliers offer discounts, either incremental or all-unit discounts, such savings...... 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...

  10. Nanoscale quantification of charge injection and transportation process in Si-nanocrystal based sandwiched structure.

    Science.gov (United States)

    Xu, Jie; Xu, Jun; Zhang, Pengzhan; Li, Wei; Chen, Kunji

    2013-10-21

    Si nanocrystals are formed by using KrF pulsed laser crystallization of an amorphous SiC/ultrathin amorphous Si/amorphous SiC sandwiched structure. Electrons and holes are injected into Si nanocrystals via a biased conductive AFM tip and the carrier decay and transportation behaviours at the nanoscale are studied by joint characterization techniques of Kelvin probe force microscopy (KPFM) and conductive atomic force microscopy (CAFM). Quantification of the surface charge density is realized by solving the Poisson equation based on KPFM measurements. Besides, the asymmetric barrier height for electrons and holes is considered to play a dominant role in controlling the charge retention and transportation characteristics. The methodology developed in this work is promising for studying the charge injection and transportation process in other materials and structures at the nanoscale.

  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 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...

  13. Electron Trapping and Charge Transport by Large Amplitude Whistlers

    Science.gov (United States)

    Kellogg, P. J.; Cattell, C. A.; Goetz, K.; Monson, S. J.; Wilson, L. B., III

    2010-01-01

    Trapping of electrons by magnetospheric whistlers is investigated using data from the Waves experiment on Wind and the S/WAVES experiment on STEREO. Waveforms often show a characteristic distortion which is shown to be due to electrons trapped in the potential of the electrostatic part of oblique whistlers. The density of trapped electrons is significant, comparable to that of the unperturbed whistler. Transport of these trapped electrons to new regions can generate potentials of several kilovolts, Trapping and the associated potentials may play an important role in the acceleration of Earth's radiation belt electrons.

  14. 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

  15. Modelling charge transport lengths in heterojunction solar cells

    Science.gov (United States)

    Musselman, K. P.; Ievskaya, Y.; MacManus-Driscoll, J. L.

    2012-12-01

    A drift-diffusion model is used to estimate the minority carrier transport length and depletion width in heterojunction solar cells from measured external quantum efficiency (EQE) data. The model is applied to Cu2O-ZnO heterojunctions synthesized by electrodeposition and thermal oxidation, and the electron drift and diffusion lengths are estimated: Ldrift ≈ 110 nm for electrodeposited Cu2O and Ldrift ≈ 2790 nm and Ldiff ≈ 310 nm for thermally oxidized Cu2O. Better fitting of EQE data is obtained than with traditional models that neglect recombination in the depletion region.

  16. 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.

  17. 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...

  18. Sensitivity of charge transport measurements to local inhomogeneities

    DEFF Research Database (Denmark)

    Koon, Daniel; Wang, Fei; Petersen, Dirch Hjorth;

    We derive analytic expressions for the sensitivity of resistive and Hall measurements to local variations in a specimen's material properties in the combined linear limit of both small magnetic fields and small perturbations, presenting exact, algebraic expressions both for four-point probe measu...

  19. Topics in quantum transport of charge and heat in solid state systems

    Science.gov (United States)

    Choi, Yunjin

    In the thesis, we present a series of investigations for quantum transport of charge and heat in solid state systems. The first topic of the thesis focuses on the fundamental quantum problems which can be studied with electron transport along with the correlations of detectors to measure physical properties. We theoretically describe a generalized ``which-path'' measurement using a pair of coupled electronic Mach-Zehnder Interferometers. In the second topic of thesis, we investigate an operational approach to measure the tunneling time based on the Larmor clock. To handle the cases of indirect measurement from the first and second topics, we introduce the contextual values formalism. The form of the contextual values provides direct physical insight into the measurement being performed, providing information about the correlation strength between system and detector, the measurement inefficiency, the proper background removal, and the conditioned average value of the system operator. Additionally, the weak interaction limit of these conditioned averages produces weak values of the system operator and an additional detector dependent disturbance term for both cases. In our treatment of the third topic of the thesis, we propose a three terminal heat engine based on semiconductor superlattices for energy harvesting. The periodicity of the superlattice structure creates an energy miniband, giving an energy window to allow electron transport. We find that this device delivers a large amount of power, nearly twice that produced by the heat engine based on quantum wells, with a small reduction of efficiency. This engine also works as a refrigerator in a different regime of the system's parameters. The thermoelectric performance of the refrigerator is analyzed, including the cooling power and coefficient of performance in the optimized condition. We also calculate phonon heat current through the system and explore the reduction of phonon heat current compared to the bulk

  20. Charge carrier transport mechanisms in perovskite CdTiO3 fibers

    Directory of Open Access Journals (Sweden)

    Z. Imran

    2014-06-01

    Full Text Available 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.

  1. The Role of Cytosine Methylation on Charge Transport through a DNA Strand

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Jianqing [Univ. of Washington, Seattle, WA (United States); Govind, Niranjan [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Anantram, M. P. [Univ. of Washington, Seattle, WA (United States)

    2015-09-04

    Cytosine methylation has been found to play a crucial role in various biological processes, including a number of human diseases. The detection of this small modifi-cation remains challenging. In this work, we computationally explore the possibility of detecting methylated DNA strands through direct electrical conductance measurements. Using density functional theory and the Landauer-Buttiker method, we study the electronic properties and charge transport through an eight base-pair methylated DNA strand and its native counterpart. Specifically, we compare the results generated with the widely used B3LYP exchange-correlation (XC) functional and CAM-B3LYP based tuned range-separated hybrid density functional. We first analyze the effect of cytosine methylation on the tight-binding parameters of two DNA strands and then model the transmission of the electrons and conductance through the strands both with and without decoherence. We find that with both functionals, the main difference of the tight-binding parameters between the native DNA and the methylated DNA lies in the on-site energies of (methylated) cytosine bases. The intra- and interstrand hopping integrals between two nearest neighboring guanine base and (methylated) cytosine base also change with the addition of the methyl groups. Our calculations show that in the phase-coherent limit, the transmission of the methylated strand is close to the native strand when the energy is nearby the highest occupied molecular orbital (HOMO) level and larger than the native strand by 5 times in the bandgap. The trend in transmission also holds in the presence of the decoherence with both functionals. We also study the effect of contact coupling by choosing coupling strengths ranging from weak to strong coupling limit. Our results suggest that the effect of the two different functionals is to alter the on-site energies of the DNA bases at the HOMO level, while the transport properties don't depend much on the two

  2. Dimensional scaling effects on transport properties of ultrathin body p-i-n diodes

    OpenAIRE

    Rajasekharan, B.; van der Salm, C.; Hueting, R.J.E.; Hoang, Van T.; Schmitz, J.

    2008-01-01

    Device scaling has been a subject of research for both optoelectronics and electronics. In order to investigate the electronic properties of scaled devices we studied lateral p-i-n structures using thin silicon on insulator (SOI) or poly-Si layers of varying dimension. With the help of these structures we try to explain the size dependencies on electronic transport properties. Further, we also propose a new device concept called charge plasma diode.

  3. A New Poisson-Nernst-Planck Model with Ion-Water Interactions for Charge Transport in Ion Channels.

    Science.gov (United States)

    Chen, Duan

    2016-08-01

    In this work, we propose a new Poisson-Nernst-Planck (PNP) model with ion-water interactions for biological charge transport in ion channels. Due to narrow geometries of these membrane proteins, ion-water interaction is critical for both dielectric property of water molecules in channel pore and transport dynamics of mobile ions. We model the ion-water interaction energy based on realistic experimental observations in an efficient mean-field approach. Variation of a total energy functional of the biological system yields a new PNP-type continuum model. Numerical simulations show that the proposed model with ion-water interaction energy has the new features that quantitatively describe dielectric properties of water molecules in narrow pores and are possible to model the selectivity of some ion channels.

  4. Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport

    Science.gov (United States)

    Li, Yuan; Yi, Yuanping; Coropceanu, Veaceslav; Brédas, Jean-Luc

    2014-12-01

    We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonotonic features in the optical conductivity spectrum and small optical effective masses. We find that, in the static-disorder approximation, the nonlocal electron-phonon interactions stemming from low-frequency lattice vibrations can decrease the optical effective masses and lead to lighter quasiparticles. On the other hand, the charge-transport and infrared optical properties of the rubrene crystal at room temperature are demonstrated to be governed by localized carriers driven by inherent thermal disorders. Our findings underline that the presence of apparently light carriers in high-mobility organic semiconductors does not necessarily imply bandlike transport.

  5. Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport

    KAUST Repository

    Li, Yuan

    2014-12-03

    We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonotonic features in the optical conductivity spectrum and small optical effective masses. We find that, in the static-disorder approximation, the nonlocal electron-phonon interactions stemming from low-frequency lattice vibrations can decrease the optical effective masses and lead to lighter quasiparticles. On the other hand, the charge-transport and infrared optical properties of the rubrene crystal at room temperature are demonstrated to be governed by localized carriers driven by inherent thermal disorders. Our findings underline that the presence of apparently light carriers in high-mobility organic semiconductors does not necessarily imply bandlike transport.

  6. 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).

  7. Pore structure and function of synthetic nanopores with fixed charges: tip shape and rectification properties

    Energy Technology Data Exchange (ETDEWEB)

    RamIrez, Patricio [Departament de Fisica Aplicada, Universitat Politecnica de Valencia, E-46022 Valencia (Spain); Apel, Pavel Yu [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, Joliot-Curie street 6, 141980 Dubna (Russian Federation); Cervera, Javier; Mafe, Salvador [Departament de Fisica de la Terra i Termodinamica, Universitat de Valencia, E-46100 Burjassot (Spain)], E-mail: patraho@fis.upv.es

    2008-08-06

    We present a complete theoretical study of the relationship between the structure (tip shape and dimensions) and function (selectivity and rectification) of asymmetric nanopores on the basis of previous experimental studies. The theoretical model uses a continuum approach based on the Nernst-Planck equations. According to our results, the nanopore transport properties, such as current-voltage (I-V) characteristics, conductance, rectification ratio, and selectivity, are dictated mainly by the shape of the pore tip (we have distinguished bullet-like, conical, trumpet-like, and hybrid shapes) and the concentration of pore surface charges. As a consequence, the nanopore performance in practical applications will depend not only on the base and tip openings but also on the pore shape. In particular, we show that the pore opening dimensions estimated from the pore conductance can be very different, depending on the pore shape assumed. The results obtained can also be of practical relevance for the design of nanopores, nanopipettes, and nanoelectrodes, where the electrical interactions between the charges attached to the nanostructure and the mobile charges confined in the reduced volume of the inside solution dictate the device performance in practical applications. Because single tracks are the elementary building blocks for nanoporous membranes, the understanding and control of their individual properties should also be crucial in protein separation, water desalination, and bio-molecule detection using arrays of identical nanopores.

  8. 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.

  9. The impact of interplanetary transport on the charge spectra of heavy ions accelerated in SEP events

    Science.gov (United States)

    Kartavykh, J.; Kovaltsov, G.; Ostryakov, V.; Droege, W.

    We investigate the effects of interplanetary propagation on charge spectra of heavy ions observed at 1 AU. A Monte-Carlo approach is applied to solve the transport equation which takes into account spatial diffusion as well as convection and adiabatic deceleration. It is shown that interplanetary propagation results in a shift of charge spectra towards lower energies due to adiabatic deceleration. This fact should be taken into account when experimental data are interpreted. A broadening of charge distributions caused by interplanetary propagation might explain rather wide charge distributions observed in a number of SEP events. We explain the available charge spectra of iron for several impulsive SEP events making use of our model of interplanetary propagation assuming different values of the mean free path.

  10. 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.

  11. Space Charge Compensation in the Linac4 Low Energy Beam Transport Line with Negative Hydrogen Ions

    CERN Document Server

    Valerio-Lizarraga, C; Leon-Monzon, I; Lettry, J; Midttun, O; Scrivens, R

    2014-01-01

    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 Tranport (LEBT) using the package IBSimu1, 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- 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.

  12. 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.

  13. 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...... the ionic interactions by mapping the Coulombic cross-coupling between the dispersive fluxes of the charged species in the heterogeneous domains. The outcomes of this study are important in many subsurface applications including migration of contaminants and propagation of reaction fronts....

  14. Charge-transport-induced dissociation in donor-bridge-acceptor complexes.

    Science.gov (United States)

    Brisker, Daria; Peskin, Uri

    2008-12-28

    Possible mechanisms for charge-transport-induced dissociation in donor-bridge-acceptor complexes are studied. Two mechanisms for dissociation at the molecular bridge are captured within a simple model of an anharmonic bridge vibration coupled nonlinearly to an electronic degree of freedom. A direct mechanism is associated with vibronic excitations to the nuclear continuum and an alternative dissociation mechanism involves intermediate quasibound vibrational states (Feshbach resonances). The two different mechanisms of charge-transport-induced dissociation are analyzed and their interplay as a function of the system parameters is examined. A parameter regime is suggested where the phenomenon should be experimentally accessible.

  15. 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...

  16. Electronic transport properties of (fluorinated) metal phthalocyanine

    KAUST Repository

    Fadlallah, M M

    2015-12-21

    The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

  17. Electronic transport properties of phenylacetylene molecular junctions

    Institute of Scientific and Technical Information of China (English)

    Liu Wen; Cheng Jie; Yah Cui-Xia; Li Hai-Hong; Wang Yong-Juan; Liu De-Sheng

    2011-01-01

    Electronic transport properties of a kind of phenylacetylene compound- (4-mercaptophenyl)-phenylacetylene are calculated by the first-principles method in the framework of density functional theory and the nonequilibrium Green's function formalism.The molecular junction shows an obvious rectifying behaviour at a bias voltage larger than 1.0 V.The rectification effect is attributed to the asymmetry of the interface contacts.Moreover,at a bias voltage larger than 2.0 V,which is not referred to in a relevant experiment [Fang L,Park J Y,Ma H,Jan A K Y and Salmeron M 2007 Langmuir 23 11522],we find a negative differential resistance phenomenon.The negative differential resistance effect may originate from the change of the delocalization degree of the molecular orbitais induced by the bias.

  18. Transport Properties of the Universal Quantum Equation

    Institute of Scientific and Technical Information of China (English)

    A.I.Arbab

    2012-01-01

    The universal quantum equation (UQE) is found to describe the transport properties of the quantum particles.This equation describes a wave equation interacting with constant scalar and vector potentials propagating in spacetime.A new transformation that sends the Schr(o)dinger equation with a potential energy V =-1/2mc2 to Dirac's equation is proposed.The Cattaneo telegraph equation as well as a one-dimensional UQE are compatible with our recently proposed generalized continuity equations.Furthermore,a new wave equation resulted from the invariance of the UQE under the post-Galilean transformations is derived.This equation is found to govern a Klein Gordon's particle interacting with a photon-like vector field (ether) whose magnitude is proportional to the particle's mass.

  19. Transport Properties of the Organic Conductor (TMTSF)2BrO4: Evidence of Variable Range Hopping

    DEFF Research Database (Denmark)

    Mortensen, Kell; Jacobsen, Claus Schelde; Bechgaard, Klaus;

    1984-01-01

    A study of d.c. and microwave conductivity and thermoelectric power of the organic conductor (TMTSF)2BrO4 is presented. The transport properties are in qualitative agreement with charge transport via variable-range hopping among localized states. The localization is attributed to the anions, which...

  20. Experimental Studies of Charge Transport in Single Crystal Diamond Devices

    OpenAIRE

    Majdi, Saman

    2012-01-01

    Diamond is a promising material for high-power, high-frequency and high- temperature electronics applications, where its outstanding physical properties can be fully exploited. It exhibits an extremely high bandgap, very high carrier mobilities, high breakdown field strength, and the highest thermal conductivity of any wide bandgap material. It is therefore an outstanding candidate for the fastest switching, the highest power density, and the most efficient electronic devices obtainable, with...

  1. Electronic and transport properties of kinked graphene

    DEFF Research Database (Denmark)

    Rasmussen, Jesper Toft; Gunst, Tue; Bøggild, Peter;

    2013-01-01

    Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the ads......Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction...... for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%) for realistic radii of curvature (≈20 Å) and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines......, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates...

  2. Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategy.

    Science.gov (United States)

    Chaudhry, Aijaz Rasool; Ahmed, R; Irfan, Ahmad; Shaari, A; Isa, Ahmad Radzi Mat; Muhammad, Shabbir; Al-Sehemi, Abdullah G

    2015-08-01

    The present study spotlights the designing of new derivatives of 2,7-bis (4-octylphenyl) naphtho [2,1-b:6,5-b'] difuran (C8-DPNDF) by substituting the alkyl groups (methyl, ethyl, propyl, butyl, pentyl, hexyl, and heptyl groups) at para position. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods are employed to optimize the molecular structures in ground and first excited states, respectively. Several electro-optical properties including hole/electron reorganization energies (λh/λe), electron affinities (EAs), ionization potentials (IPs), molecular electrostatic potentials (MEP), and frontier molecular orbitals (FMOs) have been evaluated. Furthermore their transfer integrals and intrinsic mobilities values have also been calculated. From this study, it is found that hole mobility of octyl containing derivative is raised to 4.69 cm(2) V(-1) s(-1). Moreover with attaching octyl group, hole transfer integral values have also been enhanced in newly designed derivatives. The balanced hole and electron reorganization energies, and improved transfer integrals lead to enhanced mobility in derivatives with octyl group, highlighting them as an efficient hole transfer material. Unlike the other electro-optical properties, the intrinsic hole mobility has increased because of transfer integral values of octyl containing derivative C8-DPNDF due to the dense and close crystal packing of C8-DPNDF. However, photostability of furan-based materials has not changed by increasing length of extended alkyl chain. Thus our present investigation highlights the importance of alkyl auxiliary groups that are often neglected/replaced with simple methyl group to save computation costs. Graphical Abstract The hole and electron reorganization energies of naphtho[2,1-b:6,5-b']difuran derivatives. PMID:26177706

  3. Electrical transport properties of single-layer WS2.

    Science.gov (United States)

    Ovchinnikov, Dmitry; Allain, Adrien; Huang, Ying-Sheng; Dumcenco, Dumitru; Kis, Andras

    2014-08-26

    We report on the fabrication of field-effect transistors based on single layers and bilayers of the semiconductor WS2 and the investigation of their electronic transport properties. We find that the doping level strongly depends on the device environment and that long in situ annealing drastically improves the contact transparency, allowing four-terminal measurements to be performed and the pristine properties of the material to be recovered. Our devices show n-type behavior with a high room-temperature on/off current ratio of ∼10(6). They show clear metallic behavior at high charge carrier densities and mobilities as high as ∼140 cm(2)/(V s) at low temperatures (above 300 cm(2)/(V s) in the case of bilayers). In the insulating regime, the devices exhibit variable-range hopping, with a localization length of about 2 nm that starts to increase as the Fermi level enters the conduction band. The promising electronic properties of WS2, comparable to those of single-layer MoS2 and WSe2, together with its strong spin-orbit coupling, make it interesting for future applications in electronic, optical, and valleytronic devices. PMID:25069042

  4. Understanding the impact of polymer self-organization on the microstructure and charge transport in poly(3-hexylthiophene)

    Science.gov (United States)

    Aiyar, Avishek R.

    Conjugated polymers represent the next generation of conducting materials that will enable technological devices incorporating thin film transistors, photovoltaic (PV) cells etc. in a cost effective roll-to-roll manner. The charge carrier mobility, which characterizes the ease with which charges can be transported through the material, is the key metric by which these materials are gaged and is also a decisive factor that limits device performance. Given the impact of microstructure on charge transport, ordered self-assembly in polymeric semiconductors assumes paramount relevance. This thesis outlines a fundamental investigation of the correlations between the morphology and microstructure of a model conjugated polymer, poly(3-hexylthiophene) (P3HT), and its corresponding charge transport properties in an organic field effect transistor (OFET) geometry. Moreover, the evolution of the structural and electrical properties are mapped, which provide new insights into the self-assembly process. The variation in the electrical properties is studied as film formation evolves as a function of solvent evaporation from a sessile P3HT solution droplet. The channel formation process is mapped using four contact field effect measurements. The channel formation study is complimented by interrogating the evolution of the polymer chain conformations using in situ Raman spectroscopy, which reveals the presence of an intermediate lyotropic liquid crystalline phase before film crystallization. The manifestation of the liquid crystalline phase offers a potential rationale to the mobility profiles recorded by the in situ electrical measurements. A joint investigation of both measurements reveals that the onset of channel current occurs well before polymer crystallization and that the subtle structural changes in the P3HT film continue to evolve even after crystallization, which further impact the observed drain current. The large impact of polymer chain conformations on the drain

  5. Electrical transport properties of silicon surfaces

    Science.gov (United States)

    Yoo, Kwonjae

    The understanding and utilization of electronic transport phenomena in low-dimensional, quantum-confined structures is of enormous scientific and technological interest. We have studied the electrical transport properties of systems that are quantum confined in one dimension but periodic in the other two dimensions, namely surfaces and ultrathin film materials. The electrical conductance of atomically clean, reconstructed silicon surfaces and interfaces was measured as a function of temperature in ultrahigh vacuum using the classical four-point probe technique. We employed Silicon on Insulator (SOI) technology to enhance the surface sensitivity of the four-point probe measurements. High-quality ohmic contacts were fabricated using ion-implantation. The Si(100)2 x 1 surface reconstruction consists of a two-dimensional, anti-ferromagnetic c(4 x 2) array of buckled silicon dimers. The surface undergoes a c(4 x 2) → 2 x 1 order-disorder transition near T = 200 K. Above 200 K, dimers fluctuate rapidly and the long-range c(4 x 2) ordering is destroyed. The conductance of this two-dimensional system has a temperature-dependence that is characteristic of a metal. The surface conductance appears closely correlated with the order parameter of the low-temperature c(4 x 2) structure. Thermally activated flip-flop motion of the Si dimers thus appears to be the dominant scattering mechanism. Recent high-resolution photoemission experiments indicate that the Si(111)7 x 7 surface reconstruction is a two-dimensional, correlated metal. The surface electrical conductivity decreases with increasing temperature, thus confirming metallic transport. However, conductivity measurements on ultrathin SOI indicate insulating behavior. The origin of this discrepancy is not understood and requires further investigation of the sheet conductance as a function of the SOI layer thickness. The Ga/Si(112) interface consists of a self-assembled, mesoscopic array of atomic Ga wires on a high-index Si

  6. 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 ...

  7. Transporte de carga em compósitos de polianilina/V2O5 Charge transportation in polyaniline/V2O5 composites

    Directory of Open Access Journals (Sweden)

    Fritz Huguenin

    2004-06-01

    Full Text Available In this work, composites formed from a mixture of V2O5 and polyaniline (PANI were investigated, for applications as cathode materials for secondary lithium batteries. Electrochemical quartz crystal microbalance (EQCM data show that charge compensation in the [PANI]0.3V2O5 nanocomposite is achieved predominantly by Li+ migration. However, the charge compensation in the [PANI]V2O5 microcomposite occurs by Li+ and ClO4- transport. Electrochemical Impedance Spectroscopy (EIS measurements reveal several benefits of nanohybrid formation, including the achievement of shorter ionic diffusion pathways, the higher diffusion rate of the lithium ion and also the higher electronic conductivity, which are responsible for a synergetic effect of the energy storage properties.

  8. 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

  9. 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.

  10. Charge transport in polycrystalline alumina materials: application to the optimization of dielectric breakdown strength; Transport de charges dans les alumines polycristallines: application a l'optimisation de la rigidite dielectrique

    Energy Technology Data Exchange (ETDEWEB)

    Touzin, M.

    2005-12-15

    Dielectric breakdown constitutes an important limitation in the use of insulating materials under high-tension since it leads to the local fusion and the sublimation of material. The microstructure (average grain size, intergranular phase) has a great influence on the ability of material to resist this catastrophic phenomenon. Indeed, the interfaces between the various phases constitute potential sites of trapping for the charges. The optimization of the dielectric breakdown strength of a polycrystalline alumina sintered with a liquid phase passes necessarily through the control of the microstructural parameters. Thus, it is shown that by controlling the conditions of the process (rate of sintering aids, powder grain size and thermal cycle), it is possible to control the density (by the average grain size) but also the nature (by the crystallization or not of anorthite) of the grain boundaries. The study of the influence of these two parameters as well temperature on the properties of charge transport and storage was carried out by methods ICM and SEMME. The results, interpreted in light of the numerical simulation of the charge transport in bulk alumina sample during electron beam irradiation, allowed to highlight behaviors, and the corresponding microstructures, favourable to the dielectric breakdown resistance according to the considered temperature. Thus, at room temperature a high density of interfaces (low grain size and crystallized intergranular phase) makes it possible material to durably trap a great amount of charges, which leads to a high dielectric strength. On the other hand, at higher temperature, the presence of shallow traps (vitreous intergranular phase) supports the charge diffusion and makes it possible to delay breakdown. (author)

  11. Molecular self ordering and charge transport in layer by layer deposited poly (3,3‴-dialkylquarterthiophene) films formed by Langmuir-Schaefer technique

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Rajiv K.; Singh, Arun Kumar; Upadhyay, C.; Prakash, Rajiv, E-mail: rprakash.mst@itbhu.ac.in [School of Materials Science and Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2014-09-07

    The performance of π-conjugated polymer based electronic devices is directly governed by the molecular morphology of polymer aggregation, the extent to which a molecule is electronically coupled (self ordered and interacted) to neighboring molecules, and orientation. The well electronic coupled and crystalline/ordered polymer films have the potential to enhance the charge transport properties up to a benchmark. However, there is insufficient knowledge about the direct formation of large area, oriented, crystalline, and smooth films. In this study, we have presented Langmuir Schaefer technique to obtain the large area, oriented, crystalline, and smooth film of Poly (3,3‴-dialkylquarterthiophene) (PQT-12) polymer. The effect of self ordering and orientation of PQT-12 polymer on optical, morphological, and charge transport properties has been investigated. The prepared films have been characterized by UV-vis spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM), selected area diffractions pattern (SAED), and atomic force microscopy (AFM) techniques. UV-vis spectra, TEM, SAED, and AFM images of monolayer films reveal the formation of well ordered and electronically coupled polymer domains. Layer by layer deposited films reveal the change in the orientation, which is confirmed by Raman spectra. Electronic properties and layer dependent charge transport properties are investigated using sandwiched structure Al/PQT-12/ITO Schottky configuration with perpendicular to the deposited films. It is observed that the charge transport properties and device electronic parameters (ideality factor and turn on voltage) are significantly changing with increasing the number of PQT-12 layers. Our study also demonstrates the charge transport between polymer crystallites and cause of deviation of ideal behavior of organic Schottky diodes. It may be further explored for improving the performance of other organic and optoelectronic devices.

  12. 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

  13. 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.

  14. Charge transport, injection, and photovoltaic phenomena in oligo(phenylenevinylene) based diodes

    NARCIS (Netherlands)

    Melzer, Christian; Krasnikov, Victor V.; Hadziioannou, Georges

    2003-01-01

    We report on the charge transport and injection phenomena of (E,E,E,E)-1,4-bis[(4-styryl)styryl]-2-methoxy-5-(2'-ethylhexoxy)benzene (MEH-OPV5) sandwiched between asymmetric contacts. The hole mobility of MEH-OPV5 was determined by means of transient electroluminescence. The steady-state current was

  15. Charge transport in bottom-up inorganic-organic and quantum-coherent nanostructures

    NARCIS (Netherlands)

    Makarenko, Ksenia Sergeevna

    2015-01-01

    This thesis is based on results obtained from experiments designed for a consistent study of charge transport in bottom-up inorganic-organic and quantum-coherent nanostructures. New unconventional ways to build elements of electrical circuits (like dielectrophoresis, wedging transfer and bottom-up f

  16. 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

  17. Electronic and Transport Properties of Quasi-1D Wires of Biological Molecules

    Science.gov (United States)

    Oetzel, Björn; Matthes, Lars; Tandetzky, Falk; Ortmann, Frank; Bechstedt, Friedhelm; Hannewald, Karsten

    2010-03-01

    In the search for organic materials with good charge-transport properties, artificial stacks of biological molecules are considered attractive candidates [1,2]. In this spirit, we present ab-initio DFT calculations of the structural, electronic, and quantum-transport properties of quasi-1D wires based on guanine and eumelanin molecules [3]. Hereby, a special focus is put on the results for the electronic bandwidths and the consequences for potential applications. [4pt] [1] R. di Felice et al., Phys. Rev. B 65, 045104 (2001) [0pt] [2] P. Meredith et al., Pigment Cell Res. 19, 572 (2006) [0pt] [3] B. Oetzel et al. (unpublished)

  18. 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.

  19. Analysis of some greedy algorithms for the single-sink fixed-charge transportation problem

    DEFF Research Database (Denmark)

    Görtz, Simon; Klose, Andreas

    2009-01-01

    The single-sink fixed-charge transportation problem (SSFCTP) consists of finding a minimum cost flow from a number of nodes to a single sink. Beside a cost proportional to the amount shipped, the flow cost encompass a fixed charge. The SSFCTP is an important subproblem of the well-known fixed......-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....

  20. Low-Energy Electron Potentiometry: Contactless Imaging of Charge Transport on the Nanoscale.

    Science.gov (United States)

    Kautz, J; Jobst, J; Sorger, C; Tromp, R M; Weber, H B; van der Molen, S J

    2015-09-04

    Charge transport measurements form an essential tool in condensed matter physics. The usual approach is to contact a sample by two or four probes, measure the resistance and derive the resistivity, assuming homogeneity within the sample. A more thorough understanding, however, requires knowledge of local resistivity variations. Spatially resolved information is particularly important when studying novel materials like topological insulators, where the current is localized at the edges, or quasi-two-dimensional (2D) systems, where small-scale variations can determine global properties. Here, we demonstrate a new method to determine spatially-resolved voltage maps of current-carrying samples. This technique is based on low-energy electron microscopy (LEEM) and is therefore quick and non-invasive. It makes use of resonance-induced contrast, which strongly depends on the local potential. We demonstrate our method using single to triple layer graphene. However, it is straightforwardly extendable to other quasi-2D systems, most prominently to the upcoming class of layered van der Waals materials.

  1. Heterogeneity of membrane transport quantified by the analysis of a unidirectional flux transient of charged tracer.

    Science.gov (United States)

    Bass, L; Maloney, L V; Young, M O

    1989-05-01

    A planar mosaic membrane consists of patches, each with a given area, diffusion coefficient, and mobility of charged tracer; a common electric field, constant in space and time, lies across all the patches. Given the properties of the patches, the transient of the total unidirectional flux (summed over the patches) is predictable. Here we deal with the inverse problem: Given only the observed transient of the total unidirectional flux (as defined experimentally by Ussing), the unknown transport heterogeneity of the mosaic membrane is to be analyzed. Results obtained previously for uncharged tracers are generalized to include effects of the field. In particular, the ratio of the arithmetic and harmonic means (both area-weighted) of the diffusion coefficients, evaluated over the membrane, is expressed in terms of only the observed transient and the field strength and is used to characterize the heterogeneity; and the unique exact solution of the inverse problem for two kinds of patches is recovered at any field strength. If the mosaic consists of n distinct kinds of patches, a sweep of the field strength from low to high values reveals (at most) n steplike shapes in the time course of the total unidirectional flux (normalized to its final steady value), which permit an approximate analysis of the heterogeneity by elementary means. PMID:2520165

  2. Low temperature charge transport and microwave absorption of carbon coated iron nanoparticles–polymer composite films

    International Nuclear Information System (INIS)

    Highlights: ► Carbon coated Fe nanoparticle–PVC composite films were prepared by solution casting method. ► A low electrical percolation threshold of 2.2 was achieved. ► The low temperature electrical conductivity follows variable range hopping type conduction. ► An EMI shielding of 18 dB was achieved in 200 micron thick film. -- Abstract: In this paper, the low temperature electrical conductivity and microwave absorption properties of carbon coated iron nanoparticles–polyvinyl chloride composite films are investigated for different filler fractions. The filler particles are prepared by the pyrolysis of ferrocene at 980 °C and embedded in polyvinyl chloride matrix. The high resolution transmission electron micrographs of the filler material have shown a 5 nm thin layer graphitic carbon covering over iron particles. The room temperature electrical conductivity of the composite film changes by 10 orders of magnitude with the increase of filler concentration. A percolation threshold of 2.2 and an electromagnetic interference shielding efficiency (EMI SE) of ∼18.6 dB in 26.5–40 GHz range are observed for 50 wt% loading. The charge transport follows three dimensional variable range hopping conduction.

  3. Low-Energy Electron Potentiometry: Contactless Imaging of Charge Transport on the Nanoscale

    Science.gov (United States)

    Kautz, J.; Jobst, J.; Sorger, C.; Tromp, R. M.; Weber, H. B.; van der Molen, S. J.

    2015-09-01

    Charge transport measurements form an essential tool in condensed matter physics. The usual approach is to contact a sample by two or four probes, measure the resistance and derive the resistivity, assuming homogeneity within the sample. A more thorough understanding, however, requires knowledge of local resistivity variations. Spatially resolved information is particularly important when studying novel materials like topological insulators, where the current is localized at the edges, or quasi-two-dimensional (2D) systems, where small-scale variations can determine global properties. Here, we demonstrate a new method to determine spatially-resolved voltage maps of current-carrying samples. This technique is based on low-energy electron microscopy (LEEM) and is therefore quick and non-invasive. It makes use of resonance-induced contrast, which strongly depends on the local potential. We demonstrate our method using single to triple layer graphene. However, it is straightforwardly extendable to other quasi-2D systems, most prominently to the upcoming class of layered van der Waals materials.

  4. Theoretical investigations into optical and charge transfer properties of donor-acceptor 1,8-naphthalimide derivatives as possible organic light-emitting materials

    Science.gov (United States)

    Chai, Wandong; Jin, Ruifa

    2016-01-01

    A series of D-A naphthalimide-substituted fluorene derivatives have been designed to explore their optical, electronic, and charge transport properties as charge transport and/or luminescent materials for organic light-emitting diodes (OLEDs). The frontier molecular orbitals (FMOs) analysis turned out that the vertical electronic transitions of absorption and emission are characterized as intramolecular charge transfer (ICT). The calculated results show that their optical and electronic properties are affected by the substituent groups in fluorene moieties. Our results suggest that all selected candidates are promising as luminescent materials for OLEDs. In addition, all derivatives can be used as promising hole and electron transport materials while derivatives with dibenzothiophene fragment can be used as hole transport material only for OLEDs.

  5. 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...

  6. Experimental Research Of Transport Characteristics Of Charged Gas-solid Two-phase Flow

    Science.gov (United States)

    Kang, Can; Gao, Zhengping; Luo, Tiqian

    2007-06-01

    A tentative system of charged coagulation was designed and built involving fan, motor, vibratory filler, transparent test part and support platform. Titanium dioxides of certain dimension range were used as solid particles simulating for the tiny dusts in practical engineering processes. The transport of gas-solid flows and dispersed solid particles included was presented in a rectangle-section pipe. Charge-to-mass ratio was measured through grid object method. The quantity of electricity of charged particles was measured. The flow variables under different charge voltages were emphasized in detail. And the advanced flow measurement technique—PIV(Particle Image Velocimetry) system was adopted to study the additional electric field effect on the solid-gas flow. The experimental results manifest that if charged voltage is less than -10kV, the charge-to-mass ratio increases continuously and reversely with the voltage, then reaches a saturation value at charged voltage of -60kV. The coupling between flow and electric field results in the obvious variation of characteristics of flows containing solid particles. With changed voltage, the electric field has linear effect on the gas-solid flows. Through comparison between the data under charged and uncharged conditions, axial attenuation of charged particles is weaker than that of uncharged particles. The vorticity near the pipe's bottom wall reaches its peak value. The vorticity near the boundaries under charged condition is relatively bigger and increases with voltage's increasing. Approaching the heart axis of the pipe, the vorticity increases with voltage's decreasing, as proves that solid particles are less restricted by main flow with the influence of electric field. Turbulent kinetic energy of solid particles keeps declining when the voltage varies from 0kV to -40kV, but increases when the voltage approaches -50kV, then declines again as the voltage varys from -50kV to -70kV.

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

    DEFF Research Database (Denmark)

    Andersen, Jeanne; Klose, Andreas

    , 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......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...... 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....

  9. Transport properties of alkali metal doped fullerides

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Daluram, E-mail: daluramyadav@gmail.com; Yadav, Nishchhal, E-mail: somyadav@gmail.com [School of studies in Physics, Vikram University, Ujjain (M.P) India (India)

    2015-07-31

    We have studied the intercage interactions between the adjacent C{sub 60} cages and expansion of lattice due to the intercalation of alkali atoms based on the spring model to estimate phonon frequencies from the dynamical matrix for the intermolecular alkali-C{sub 60} phonons. We considered a two-peak model for the phonon density of states to investigate the nature of electron pairing mechanism for superconducting state in fullerides. Coulomb repulsive parameter and the electron phonon coupling strength are obtained within the random phase approximation. Transition temperature, T{sub c}, is obtained in a situation when the free electrons in lowest molecular orbital are coupled with alkali-C{sub 60} phonons as 5 K, which is much lower as compared to reported T{sub c} (20 K). The superconducting pairing is mainly driven by the high frequency intramolecular phonons and their effects enhance it to 22 K. The importance of the present study, the pressure effect and normal state transport properties are calculated within the same model leading superconductivity.

  10. Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets

    Science.gov (United States)

    Armaković, Stevan; Armaković, Sanja J.

    2016-11-01

    In this work we investigated optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets and the consequences on these properties after modifications with boron atoms. Within the framework of density functional theory (DFT) several important optoelectronic quantities have been calculated for graphene nanoparticles: oxidation and reduction potentials, hole and electron reorganization energies, while thermally activated delayed fluorescence was assessed by calculations of energy separation between the lowest excited singlet (S1) and triplet (T1) state, Δ E (S1 -T1) . Obtained results show that optoelectronic properties of graphene nanoparticles are significantly improved by the modification with boron atoms and that investigated structures can be considered as a promising organic light emitting diode (OLED) materials. Influence of boron atoms to charge and heat transport properties of graphene nanosheets was investigated as well, employing the self-consistent non-equilibrium Green's functions with DFT. On the other side it is shown that charge transport of graphene nanosheets is not influenced by the introduction of boron atoms, while influence to the phonon subsystem is minimal.

  11. Opto-electronic and quantum transport properties of semiconductor nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sabathil, M.

    2005-01-01

    In this work a novel and efficient method for the calculation of the ballistic transport properties of open semiconductor nanostructures connected to external reservoirs is presented. It is based on the Green's function formalism and reduces the effort to obtain the transmission and the carrier density to a single solution of a hermitian eigenvalue problem with dimensions proportional to the size of the decoupled device and the multiple inversion of a small matrix with dimensions proportional to the size of the contacts to the leads. Using this method, the 4-band GaAs hole transport through a 2-dimensional three-terminal T-junction device, and the resonant tunneling current through a 3-dimensional InAs quantum dot molecule embedded into an InP heterostructure have been calculated. The further extension of the method into a charge self-consistent scheme enables the efficient prediction of the IV-characteristics of highly doped nanoscale field effect transistors in the ballistic regime, including the influence of quasi bound states and the exchange-correlation interaction. Buettiker probes are used to emulate the effect of inelastic scattering on the current for simple 1D devices, systematically analyzing the dependence of the density of states and the resulting self-consistent potential on the scattering strength. The second major topic of this work is the modeling of the optical response of quantum confined neutral and charged excitons in single and coupled self-assembled InGaAs quantum dots. For this purpose the existing device simulator nextnano{sup 3} has been extended to incorporate particle-particle interactions within the means of density functional theory in local density approximation. In this way the exciton transition energies for neutral and charged excitons as a function of an externally applied electric field have been calculated, revealing a systematic reduction of the intrinsic dipole with the addition of extra holes to the exciton, a finding

  12. NUMERICAL PATH-INTEGRATION CALCULATION OF TRANSPORT PROPERTIES OF STAR POLYMERS AND THETA-DLA AGGREGATES

    Directory of Open Access Journals (Sweden)

    M.L.Mansfield

    2002-01-01

    Full Text Available Although the calculation of transport properties of complex-shaped particles (Smoluchowski rate constants for diffusion-limited reactions, Stokes friction coefficient, virial coefficients for conductivity, viscosity and other transport properties is straightforward in principle, the accurate evaluation of these quantities for objects of general shape is a problem of classic difficulty. In the present paper, we illustrate a recently developed numerical path-integration method to estimate basic transport properties of representative complex-shaped objects having scientific and technological interest (i.e., star polymers and diffusion-limited aggregates without excluded volume interactions. The methodology applies to objects of essentially arbitrary shape and its validation for special geometries, where exact results are known, is described in a previous paper. Here we calculate the electrostatic capacity and electrical polarizability tensor of these model branched polymers and then exploit exact and approximate electrostatic-hydrodynamic property interrelations to estimate the Stokes translational friction coefficient and the virial coefficients for conductivity and shear viscosity (intrinsic conductivity and viscosity, respectively. Dimensionless ratios of these transport properties and equilibrium measures of particle size (radius of gyration are considered since these ratios are important experimentally in determining macromolecular topological structure and universality class. We also discuss and illustrate the influence of the branching architecture on the equilibrium charge distribution ("equilibrium measure" of these branched polymers where they are treated as conductors. An unexpected qualitative change in the charge distribution is found with increasing arm number in star polymers that may have important physical consequences.

  13. 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

  14. Chemical composition and surface charge properties of montmorillonite

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-wen; HU Min; HU Yue-hua

    2008-01-01

    The effects of the cell parameter and chemical composition on the surface charge properties of five kinds of different colour montmorillonites were studied. The results indicate that the surface isoelectric point(IEP) of the montmorillonite shows positive correlation with the mass fractions of Fe2O3 and K20, but it has little relation to the mass fractions of other chemical compositions. At around pH=6.8, the surface zeta potential of the montmorillonite shows the negative relationship with the mass fractions of Fe2O3 and MgO, but it does not linearly correlate to the mass fractions of other chemical compositions. Cell parameter(b0) of the montmofillonite expresses negative linear relationship with mass fractions of K2O and Na2O, so does c0sinβ with mass fractions of SiO2 and Fe2O3. And there is no specific relationship between bo and IEP of different montmori Uonites, but there is positive correlation between c0sinβ and IEP of different montmorillonite samples.

  15. Double path integral method for obtaining the mobility of the one-dimensional charge transport in molecular chain.

    Science.gov (United States)

    Yoo-Kong, Sikarin; Liewrian, Watchara

    2015-12-01

    We report on a theoretical investigation concerning the polaronic effect on the transport properties of a charge carrier in a one-dimensional molecular chain. Our technique is based on the Feynman's path integral approach. Analytical expressions for the frequency-dependent mobility and effective mass of the carrier are obtained as functions of electron-phonon coupling. The result exhibits the crossover from a nearly free particle to a heavily trapped particle. We find that the mobility depends on temperature and decreases exponentially with increasing temperature at low temperature. It exhibits large polaronic-like behaviour in the case of weak electron-phonon coupling. These results agree with the phase transition (A.S. Mishchenko et al., Phys. Rev. Lett. 114, 146401 (2015)) of transport phenomena related to polaron motion in the molecular chain. PMID:26701710

  16. Curl flux, coherence, and population landscape of molecular systems: Nonequilibrium quantum steady state, energy (charge) transport, and thermodynamics

    CERN Document Server

    Zhang, Zhedong

    2015-01-01

    We established a theoretical framework in terms of the curl flux, population landscape, and coherence for non-equilibrium quantum systems at steady state, through exploring the energy and charge transport in molecular processes. The curl quantum flux plays the key role in determining transport properties and the system reaches equilibrium when flux vanishes. The novel curl quantum flux reflects the degree of non-equilibriumness and the time-irreversibility. We found an analytical expression for the quantum flux and its relationship to the environmental pumping (non-equilibriumness quantified by the voltage away from the equilibrium) and the quantum tunneling. Furthermore, we investigated another quantum signature, the coherence, quantitatively measured by the non-zero off diagonal element of the density matrix. Besides the environment-assistance which can give dramatic enhancement of coherence and quantum flux with high voltage at a fixed tunneling strength, the quantum flux is promoted by the coherence in th...

  17. 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.

  18. 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.

  19. The influence of morphology on charge transport/recombination dynamics in planar perovskite solar cells

    Science.gov (United States)

    Yu, Man; Wang, Yi; Wang, Hao-Yi; Han, Jun; Qin, Yujun; Zhang, Jian-Ping; Ai, Xi-Cheng

    2016-10-01

    The photovoltaic performance of planar perovskite solar cell is significantly influenced by the morphology of perovskite film. In this work, five kinds of devices with different perovskite film morphologies were prepared by varying the concentration of CH3NH3Cl in precursor solutions. We found that best morphology of perovskite film results in the excellent photovoltaic performance with an average efficiency of 15.52% and a champion efficiency of 16.38%. Transient photovoltage and photocurrent measurements are performed to elucidate the mechanism of photoelectric conversion processes, which shows that the charge recombination is effectively suppressed and the charge transport is obviously promoted by optimized morphology.

  20. Charge transport in bacteriorhodopsin monolayers: The contribution of conformational change to current-voltage characteristics

    Science.gov (United States)

    Alfinito, E.; Reggiani, L.

    2009-03-01

    When moving from native to light-activated bacteriorhodospin, modification of charge transport consisting of an increase of conductance is correlated to the protein conformational change. A theoretical model based on a map of the protein tertiary structure into a resistor network is implemented to account for a sequential tunneling mechanism of charge transfer through neighbouring amino acids. The model is validated by comparison with current-voltage experiments. The predictability of the model is further tested on bovine rhodopsin, a G-protein coupled receptor (GPCR) also sensitive to light. In this case, results show an opposite behaviour with a decrease of conductance in the presence of light.

  1. Tuning of Transport and Magnetic Properties in Epitaxial LaMnO3+δ Thin Films

    Directory of Open Access Journals (Sweden)

    J. Chen

    2014-01-01

    Full Text Available The effect of compressive strain on the transport and magnetic properties of epitaxial LaMnO3+δ thin films has been investigated. It is found that the transport and magnetic properties of the LaMnO3+δ thin films grown on the LaAlO3 substrates can be tuned by the compressive strain through varying film thickness. And the insulator-metal transition, charge/orbital ordering transition, and paramagnetic-ferromagnetic transition are suppressed by the compressive strain. Consequently, the related electronic and magnetic transition temperatures decrease with an increase in the compressive strain. The present results can be explained by the strain-controlled lattice deformation and the consequent orbital occupation. It indicates that the lattice degree of freedom is crucial for understanding the transport and magnetic properties of the strongly correlated LaMnO3+δ.

  2. 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

  3. Evaluation of collective transport properties of ionic melts from molecular dynamics simulations

    Indian Academy of Sciences (India)

    Manish Agarwal; Charusita Chakravarty

    2009-09-01

    Molecular dynamics simulations of beryllium fluoride (BeF2) have been carried out in the canonical (NVT) ensemble using a rigid-ion potential model. The Green-Kubo formalism has been applied to compute viscosities and ionic conductivities of BeF2 melt. The computational parameters critical for reliably estimating these collective transport properties are shown to differ significantly for viscosity and ionic conductivity. In addition to the equilibrium values of these transport properties, structural relaxation times as well as high-frequency IR-active modes are computed from the pressure and charge-flux auto correlation functions (ACFs) respectively. It is shown that a network-forming ionic melt, such as BeF2, will display persistent oscillatory behaviour of the integral of the charge-flux ACF. By suitable Fourier transformation, one can show that these persistent oscillations correspond to highfrequency, infra-red active vibrations associated with local modes of the network.

  4. Injection and transport of electric charge in a metal/copolymer structure

    Institute of Scientific and Technical Information of China (English)

    Li Dong-Mei; Yuan Xiao-Juan; Ma Jia-Sai; Liu De-Sheng

    2011-01-01

    The dynamical processes of the electric charge injection and transport from a metal electrode to the copolymer are investigated by using a nonadiabatic dynamic approach.The simulations are performed within the framework of an extended version of the one-dimensional Su-Schrieffer-Heeger (SSH) tight-binding model.It is found that the electric charge can be injected into the copolymer by increasing the applied voltage.For different structures of the copolymer,the critical voltage biases are different and the motion of the injected electric charge in the copolymer varies obviously.For the copolymer with a barrier-well-barrier configuration,the injected electric charge forms a wave packet due to the strong electron-lattice interaction in the barrier,then comes into the well and will be confined in it under a weak electric field.Under a medium electric field,the electric charge can go across the interface of two homopolymers and enter into the other potential barrier.For the copolymer with a well-barrier-well configuration,only under strong enough electric field can the electric charge transfer from the potential well into the barrier and ultimately reach a dynamic balance.

  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. Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics.

    Science.gov (United States)

    Gagorik, Adam G; Mohin, Jacob W; Kowalewski, Tomasz; Hutchison, Geoffrey R

    2013-01-01

    The effect of morphology on charge transport in organic photovoltaics is assessed using Monte Carlo. In isotopic two-phase morphologies, increasing the domain size from 6.3 to 18.3 nm improves the fill factor by 11.6%, a result of decreased tortuosity and relaxation of Coulombic barriers. Additionally, when small aggregates of electron acceptors are interdispersed into the electron donor phase, charged defects form in the system, reducing fill factors by 23.3% on average, compared with systems without aggregates. In contrast, systems with idealized connectivity show a 3.31% decrease in fill factor when domain size was increased from 4 to 64 nm. We attribute this to a decreased rate of exciton separation at donor-acceptor interfaces. Finally, we notice that the presence of Coulomb interactions increases device performance as devices become smaller. The results suggest that for commonly found isotropic morphologies the Coulomb interactions between charge carriers dominates exciton separation effects.

  8. 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.

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

    Science.gov (United States)

    Zhong, Haijian; Xu, Ke; Liu, Zhenghui; Xu, Gengzhao; Shi, Lin; Fan, Yingmin; Wang, Jianfeng; Ren, Guoqiang; Yang, Hui

    2014-01-01

    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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Influence of Interface Charge on Electrical Properties of ZnO/Si Heterojunction

    Institute of Scientific and Technical Information of China (English)

    LEI Huan; LIU Ci-Hui; LIN Bi-Xia; FU Zhu-Xi

    2005-01-01

    @@ The capacitance-voltage and current-voltage properties of the samples before and after annealing are investigated at 300 K and 195K. It is found that the interface charge plays an important role for the heterojunction properties. After annealing, the samples exhibit typical junction properties. The heterojunction shows a built-in potential 0.62eV consistent with the theoretical result 0.67eV. However, the sample exhibits more complex behaviour before annealing. The experimental results can be explained by heterojunction theory when introducing interface charge, which suggests that the annealing can reduce interface charge and can improve the junction properties of the samples.

  15. 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....

  16. 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 (...

  17. 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...

  18. 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...

  19. 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

  20. Transport properties of the calcium ionophore ETH-129.

    OpenAIRE

    Wang, E.; Erdahl, W L; Hamidinia, S A; Chapman, C J; Taylor, R.W.; Pfeiffer, D R

    2001-01-01

    The transport mechanism and specificities of ionophore ETH-29 have been investigated in a highly defined phospholipid vesicle system, with the goal of facilitating the application of this compound to biological problems. ETH-129 transports Ca(2+) via an electrogenic mechanism, in contrast to A23187 and ionomycin, which function in a charge neutral manner. The rate of transport is a function of membrane potential, increasing by 3.9-fold per 59 mV over a broad range of that parameter. Rate is i...

  1. 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.

  2. 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

  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. The role of cytosine methylation on charge transport through a DNA strand

    Science.gov (United States)

    Qi, Jianqing; Govind, Niranjan; Anantram, M. P.

    2015-09-01

    Cytosine methylation has been found to play a crucial role in various biological processes, including a number of human diseases. The detection of this small modification remains challenging. In this work, we computationally explore the possibility of detecting methylated DNA strands through direct electrical conductance measurements. Using density functional theory and the Landauer-Büttiker method, we study the electronic properties and charge transport through an eight base-pair methylated DNA strand and its native counterpart. We first analyze the effect of cytosine methylation on the tight-binding parameters of two DNA strands and then model the transmission of the electrons and conductance through the strands both with and without decoherence. We find that the main difference of the tight-binding parameters between the native DNA and the methylated DNA lies in the on-site energies of (methylated) cytosine bases. The intra- and inter-strand hopping integrals between two nearest neighboring guanine base and (methylated) cytosine base also change with the addition of the methyl groups. Our calculations show that in the phase-coherent limit, the transmission of the methylated strand is close to the native strand when the energy is nearby the highest occupied molecular orbital level and larger than the native strand by 5 times in the bandgap. The trend in transmission also holds in the presence of the decoherence with the same rate. The lower conductance for the methylated strand in the experiment is suggested to be caused by the more stable structure due to the introduction of the methyl groups. We also study the role of the exchange-correlation functional and the effect of contact coupling by choosing coupling strengths ranging from weak to strong coupling limit.

  5. The role of cytosine methylation on charge transport through a DNA strand

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Jianqing, E-mail: jqqi@uw.edu; Anantram, M. P., E-mail: anantmp@uw.edu [Department of Electrical Engineering, University of Washington, Seattle, Washington 98195-2500 (United States); Govind, Niranjan, E-mail: niri.govind@pnnl.gov [William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2015-09-07

    Cytosine methylation has been found to play a crucial role in various biological processes, including a number of human diseases. The detection of this small modification remains challenging. In this work, we computationally explore the possibility of detecting methylated DNA strands through direct electrical conductance measurements. Using density functional theory and the Landauer-Büttiker method, we study the electronic properties and charge transport through an eight base-pair methylated DNA strand and its native counterpart. We first analyze the effect of cytosine methylation on the tight-binding parameters of two DNA strands and then model the transmission of the electrons and conductance through the strands both with and without decoherence. We find that the main difference of the tight-binding parameters between the native DNA and the methylated DNA lies in the on-site energies of (methylated) cytosine bases. The intra- and inter-strand hopping integrals between two nearest neighboring guanine base and (methylated) cytosine base also change with the addition of the methyl groups. Our calculations show that in the phase-coherent limit, the transmission of the methylated strand is close to the native strand when the energy is nearby the highest occupied molecular orbital level and larger than the native strand by 5 times in the bandgap. The trend in transmission also holds in the presence of the decoherence with the same rate. The lower conductance for the methylated strand in the experiment is suggested to be caused by the more stable structure due to the introduction of the methyl groups. We also study the role of the exchange-correlation functional and the effect of contact coupling by choosing coupling strengths ranging from weak to strong coupling limit.

  6. Charge properties of peptides derived from casein affect their bioavailability and cytoprotection against H2O2-induced oxidative stress.

    Science.gov (United States)

    Wang, Bo; Xie, Ningning; Li, Bo

    2016-04-01

    The effects of charge properties of casein peptides on absorption stability, antioxidant activity, and cytoprotection were evaluated. Alcalase hydrolysates of casein were separated into 4 fractions by cation-exchange chromatography according to charge properties. After simulated digestion and Caco-2 cell transmembrane transport, we determined the total antioxidant capacity (Trolox equivalent antioxidative capacity and oxygen radical antioxidant activity) and nitrogen content of peptide fractions to estimate available antioxidant efficacy and bioavailability (BA) of peptides. Results showed that negatively charged peptide fractions had greater BA and antioxidant activities after digestion and absorption. The peptide permeates were used to test the cytoprotective effect against H2O2-induced oxidative damage in HepG-2 cells. All peptide permeates increased cell viability, elevated catalase activity, and decreased superoxide dismutase activity. However, negatively charged peptide fractions preserved cell viability to a greater degree. Therefore, the negatively charged peptides from casein may be potential antioxidants and could be used as ingredients in functional foods and dietary supplements. PMID:26851854

  7. 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.

  8. Transport properties of spacetime-filling branes

    Energy Technology Data Exchange (ETDEWEB)

    Tarrío, Javier [Departament de Física Fonamental and Institut de Ciències del Cosmos,Universitat de Barcelona,Martí i Franquès 1, ES-08028, Barcelona (Spain)

    2014-04-07

    A model consisting of (d+1)-dimensional gravity coupled to spacetime filling charged branes is used to study the effects of backreaction. The charged black holes arising from this simple model reflect the non-linearity of the gauge field and are thermodynamically stable. By analysing fluctuations of the system we corroborate that at low values of the temperature (or large chemical potential) backreaction effects from the branes are dominant. We also provide a generalisation of the Iqbal and Liu strategy to calculate the DC conductivity, in which a mass term for the gauge field fluctuation is included. This mass term gives the value of the residue of the pole at zero frequency in the imaginary part of the AC conductivity, as well as the running of the DC conductivity with the bulk radius.

  9. Transport properties of spacetime-filling branes

    CERN Document Server

    Tarrio, Javier

    2013-01-01

    A model consisting of (d+1)-dimensional gravity coupled to spacetime filling charged branes is used to study the effects of backreaction. The charged black holes arising from this simple model reflect the non-linearity of the gauge field and are thermodynamically stable. By analysing fluctuations of the system we corroborate that at low values of the temperature (or large chemical potential) backreaction effects from the branes are dominant. We also provide a generalisation of the Iqbal and Liu strategy to calculate the DC conductivity, in which a mass term for the gauge field fluctuation is included. This mass term gives the value of the residue of the pole at zero frequency in the imaginary part of the AC conductivity, as well as the running of the DC conductivity with the bulk radius.

  10. Transport properties of spacetime-filling branes

    International Nuclear Information System (INIS)

    A model consisting of (d+1)-dimensional gravity coupled to spacetime filling charged branes is used to study the effects of backreaction. The charged black holes arising from this simple model reflect the non-linearity of the gauge field and are thermodynamically stable. By analysing fluctuations of the system we corroborate that at low values of the temperature (or large chemical potential) backreaction effects from the branes are dominant. We also provide a generalisation of the Iqbal and Liu strategy to calculate the DC conductivity, in which a mass term for the gauge field fluctuation is included. This mass term gives the value of the residue of the pole at zero frequency in the imaginary part of the AC conductivity, as well as the running of the DC conductivity with the bulk radius

  11. Anisotropic diffusive transport: connecting microscopic scattering and macroscopic transport properties

    OpenAIRE

    Alerstam, Erik

    2013-01-01

    This work concerns the modeling of radiative transfer in anisotropic turbid media using diffusion theory. A theory for the relationship between microscopic scattering properties (i.e., an arbitrary differential scattering cross-section) and the macroscopic diffusion tensor, in the limit of independent scatterers, is presented. The theory is accompanied by a numerical method capable of performing the calculations. In addition, a boundary condition appropriate for modeling systems with anisotro...

  12. Role of collector alternating charged patches on transport of Cryptosporidium parvum oocyst in a patchwise charged heterogeneous micromodel

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuanyuan; Zhang, Changyong; Hu, Dehong; Kuhlenschmidt, Mark S.; Kuhlenschmidt, Theresa B.; Mylon, Steven E.; Kong, Rong; Bhargava, Rohit; Nguyen, Thanh H.

    2013-02-04

    The role of collector surface charge heterogeneity on transport of Cryptosporidium parvum oocyst and carboxylate microsphere in 2-dimensional micromodels was studied. The cylindrical silica collectors within the micromodels were coated with 0, 10, 20, 50 and 100% Fe2O3 patches. The experimental values of average single collector removal efficiencies (η) of the Fe2O3 patches and on the entire collectors were determined. In the presence of significant (>3500 kT) Derjaguin–Landau–Verwey–Overbeek (DLVO) energy barrier between the microspheres and the silica collectors at pH 5.8 and 8.1, the values of η determined for Fe2O3 patches were significantly less (p < 0.05, t-test) than that obtained for collectors coated entirely with Fe2O3. However, η on Fe2O3 patches for microspheres at pH 4.4 and for oocysts at pH 5.8 and 8.1, where the DLVO energy barrier was relatively small (ca. 200-360 kT), were significantly greater (p < 0.05, t-test) than that on the collectors coated entirely with Fe2O3. The dependence of η determined for Fe2O3 patches on the DLVO energy barrier indicated the importance of periodic favorable and unfavorable electrostatic interactions between colloids and collectors with alternating Fe2O3 and silica patches. Differences between experimentally determined η and that predicted by a patchwise geochemical heterogeneous model was observed, but can be explained by the model’s lack of consideration for the spatial distribution of charge heterogeneity on the collector surface and colloid migration on patchwise heterogeneous collectors.

  13. Variable Charge State Impurities in Coupled Kinetic Plasma-Kinetic Neutral Transport Simulations

    Science.gov (United States)

    Stotler, D. P.; Hager, R.; Kim, K.; Koskela, T.; Park, G.

    2015-11-01

    A previous version of the XGC0 neoclassical particle transport code with two fully stripped impurity species was used to study kinetic neoclassical transport in the DIII-D H-mode pedestal. To properly simulate impurities in the scrape-off layer and divertor and to account for radiative cooling, however, the impurity charge state distributions must evolve as the particles are transported into regions of different electron temperatures and densities. To do this, the charge state of each particle in XGC0 is included as a parameter in the list that represents the particle's location in phase space. Impurity ionizations and recombinations are handled with a dedicated collision routine. The associated radiative cooling is accumulated during the process and applied to the electron population later in the time step. The density profiles of the neutral impurities are simulated with the DEGAS 2 neutral transport code and then used as a background for electron impact ionization in XGC0 via a test particle Monte Carlo method analogous to that used for deuterium. This work supported by US DOE contracts DE-AC02-09CH11466.

  14. Transport properties and photo- conductivity of nanocrystalline PbTe(In) films

    Energy Technology Data Exchange (ETDEWEB)

    Dobrovolsky, Alexandr; Chernichkin, Vladimir; Belogorokhov, Ivan; Ryabova, Ludmila; Khokhlov, Dmitry [Faculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow (Russian Federation); Dashevsky, Zinovi; Kasiyan, Vladimir [Department of Materials Engineering, Ben-Gurion University, 84105 Beer-Sheva (Israel)

    2010-04-15

    Microstructure, charge transport and photoelectric properties are studied for PbTe(In) films deposited on amorphous substrates kept at different temperatures T{sub s} during deposition. All the films have a column-like structure with the mean column diameter increasing from 60 nm at the lowest T{sub s}=-120 C up to 300 nm at the maximal T{sub s}=250 C. The substrate temperature increase results in appearance of a preferred orientation of grains and in an inversion of the conductivity type from hole to electron. Electric transport and photoelectric properties of the films were studied in the temperature interval 4.2-300 K in DC and AC modes at frequencies varied from 20 Hz up to 1 MHz. The impedance spectra analysis was done in terms of the equivalent circuit model. Modification of charge transport mechanisms is correlated with the variation of microstructure of the films grown at different substrate temperatures. Films with disordered grains possess all features of non-homogeneous systems, while the films with a preferred orientation of grains are analogous to PbTe(In) single crystals in their transport and photoelectric properties. Mechanisms of the persistent photoconductivity observed in the films are qualitatively distinguished. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. 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.

  16. 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.

  17. 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...

  18. Analytical and numerical studies of photo-injected charge transport in molecularly-doped polymers

    Science.gov (United States)

    Roy Chowdhury, Amrita

    The mobility of photo-injected charge carriers in molecularly-doped polymers (MDPs) exhibits a commonly observed, and nearly universal Poole-Frenkel field dependence, mu exp√(beta0E), that has been shown to arise from the correlated Gaussian energy distribution of transport sites encountered by charges undergoing hopping transport through the material. Analytical and numerical studies of photo-injected charge transport in these materials are presented here with an attempt to understand how specific features of the various models developed to describe these systems depend on the microscopic parameters that define them. Specifically, previously published time-of-flight mobility data for the molecularly doped polymer 30% DEH:PC (polycarbonate doped with 30 wt.% aromatic hydrazone DEH) is compared with direct analytical and numerical predictions of five disorder-based models, the Gaussian disorder model (GDM) of Bassler, and four correlated disorder models introduced by Novikov, et al., and by Parris, et al. In these numerical studies, disorder parameters describing each model were varied from reasonable starting conditions, in order to give the best overall fit. The uncorrelated GDM describes the Poole-Frenkel field dependence of the mobility only at very high fields, but fails for fields lower than about 64 V/mum. The correlated disorder models with small amounts of geometrical disorder do a good over-all job of reproducing a robust Poole-Frenkel field dependence, with correlated disorder theories that employ polaron transition rates showing qualitatively better agreement with experiment than those that employ Miller-Abrahams rates. In a separate study, the heuristic treatment of spatial or geometric disorder incorporated in existing theories is critiqued, and a randomly-diluted lattice gas model is developed to describe the spatial disorder of the transport sites in a more realistic way.

  19. Computer program for calculating thermodynamic and transport properties of fluids

    Science.gov (United States)

    Hendricks, R. C.; Braon, A. K.; Peller, I. C.

    1975-01-01

    Computer code has been developed to provide thermodynamic and transport properties of liquid argon, carbon dioxide, carbon monoxide, fluorine, helium, methane, neon, nitrogen, oxygen, and parahydrogen. Equation of state and transport coefficients are updated and other fluids added as new material becomes available.

  20. The properties of dimers confined between two charged plates.

    Science.gov (United States)

    Hatlo, Marius M; Bohinc, Klemen; Lue, Leo

    2010-03-21

    We consider two like-charged planar surfaces immersed in solution of oppositely charged dimer counterions with a bond length l. To analyze this system, we extend and employ a self-consistent field theory that has been shown to be accurate from the weak to the intermediate through to the strong coupling regimes. In the limit of very short dimers, the results converge to the results for pointlike divalent ions. Near the surfaces, the dimers lie parallel to the charged plates. In the intermediate coupling regime, the dimers are aligned perpendicularly to the surface when they are a distance l from a surface. In the weak coupling regime, the interactions are only repulsive. At slightly higher couplings, there is a minimum in the variation of the free energy with distance at approximately the bond length of the dimers, which arises from bridging conformations of the dimers. In the intermediate coupling regime, an additional minimum in the free energy is observed at much smaller distances, which is due to the correlations between the dimers. For large dimer bond lengths, this minimum is metastable with respect to the previous minimum. However, as the bond length decreases, this minimum becomes the stable, while the minimum associated with the dimer bond length becomes metastable and eventually disappears. For shorter dimer bond length the attractive interaction is the result of correlations between counterions and charges on the surfaces. We find that dimers can mediate attractive interaction between like-charged surfaces in the intermediate coupling regime. The analysis of orientations confirms the bridging mechanism for sufficiently long dimers, whereas at high electrostatic couplings charge correlations contribute to the attraction.

  1. Thermoelectric transport properties of highly oriented FeSb2 thin films

    OpenAIRE

    Y. Sun; Johnsen, S.; Eklund, Per; Sillassen, M.; Bottiger, J.; N. Oeschler; Sun, P.; Steglich, F.; Iversen, B. B.

    2009-01-01

    Highly textured FeSb2 films were produced on quartz wafers by a sputtering method. Their resistivity and Seebeck coefficient (S) were measured and a maximum absolute value of S similar to 160 mu V K-1 at 50 K was obtained. Hall measurements were employed to study the charge carrier concentrations and Hall mobilities of the FeSb2 films. By comparing with the transport properties of FeSb2 single crystals and an extrinsically doped FeSb1.98Te0.02 single crystal, the thermoelectric properties of ...

  2. Transport in metal-oxide-semiconductor structures. Mobile ions effects on the oxide properties

    Energy Technology Data Exchange (ETDEWEB)

    Bentarzi, Hamid [Boumerdes Univ. (Algeria). Dept. of Electrical and Electronic Engineering

    2011-07-01

    This book focuses on the importance of mobile ions presented in oxide structures, what significantly affects the metal-oxide-semiconductor (MOS) properties. The reading starts with the definition of the MOS structure, its various aspects and different types of charges presented in their structure. A review on ionic transport mechanisms and techniques for measuring the mobile ions concentration in the oxides is given, special attention being attempted to the Charge Pumping (CP) technique associated with the Bias Thermal Stress (BTS) method. Theoretical approaches to determine the density of mobile ions as well as their distribution along the oxide thickness are also discussed. The content varies from general to very specific examples, helping the reader to learn more about transport in MOS structures. (orig.)

  3. Some properties of charge-conjugated spinors in D dimensions

    CERN Document Server

    D'Andrade, M A

    1995-01-01

    Spinors for an arbitrary Minkowski space with signature (t, s) are reassessed in connection with D-dimensional free Dirac action. The possibility of writing down kinetic and mass terms for charge-conjugated spinors is discussed in terms of the number of time-like directions of the space-time.

  4. 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

  5. Physical transport properties of marine microplastic pollution

    OpenAIRE

    A. Ballent; A. Purser; P. de Jesus Mendes; Pando, S.; Thomsen, L

    2012-01-01

    Given the complexity of quantitative collection, knowledge of the distribution of microplastic pollution in many regions of the world ocean is patchy, both spatially and temporally, especially for the subsurface environment. However, with knowledge of typical hydrodynamic behavior of waste plastic material, models predicting the dispersal of pelagic and benthic plastics from land sources into the ocean are possible. Here we investigate three aspects of plastic distribution and transport in Eu...

  6. 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...

  7. 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.

  8. Photoinduced charge transport over branched conjugation pathways: donor-acceptor substituted 1,1-diphenylethene and 2,3-diphenylbutadiene

    NARCIS (Netherlands)

    C.A. van Walree; B.C. van der Wiel; R.M. Williams

    2013-01-01

    Photoinduced charge transport in 1,1-diphenylethene and 2,3-diphenylbutadiene functionalized with an electron donating dimethylamino group and an electron accepting cyano group is reported. UV-spectroscopy reveals that in these compounds, which incorporate a cross-conjugated spacer, a direct charge

  9. Transport properties of Cd{sub 0.8}Zn{sub 0.2}Te crystals

    Energy Technology Data Exchange (ETDEWEB)

    Gamal, G.A. [Physics Department, Faculty of Science, South Valley University, Qena 83523 (Egypt); Abou Zied, M. [Physics Department, Faculty of Science, South Valley University, Qena 83523 (Egypt); Ebnalwaled, A.A. [Physics Department, Faculty of Science, South Valley University, Qena 83523 (Egypt)]. E-mail: Kh_bnalwaled@yahoo.com

    2007-04-30

    After Cd{sub 0.8}Zn{sub 0.2}Te (CZT) crystals were prepared by a special design based on Bridgman technique, the transport properties were investigated. The dependence of electrical conductivity, Hall effect, Hall mobility, charge carriers concentration and thermoelectric power on temperatures was carried out in the temperature range (228-500 K). The relaxation time for both majority and minority carriers was estimated. The scattering mechanism for carrier transport was discussed in the same temperature range.

  10. 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

  11. 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

  12. 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 ...

  13. 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.

  14. 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

  15. Calculations of the transport properties within the PAW formalism

    International Nuclear Information System (INIS)

    We implemented the calculation of the transport properties within the PAW formalism in the ABINIT code. This feature allows the calculation of the electrical and optical properties, including the XANES spectrum, as well as the electronic contribution to the thermal conductivity. We present here the details of the implementation and results obtained for warm dense aluminum plasma. (authors)

  16. Calculations of the transport properties within the PAW formalism

    Energy Technology Data Exchange (ETDEWEB)

    Mazevet, S.; Torrent, M.; Recoules, V.; Jollet, F. [CEA Bruyeres-le-Chatel, DIF, 91 (France)

    2010-07-01

    We implemented the calculation of the transport properties within the PAW formalism in the ABINIT code. This feature allows the calculation of the electrical and optical properties, including the XANES spectrum, as well as the electronic contribution to the thermal conductivity. We present here the details of the implementation and results obtained for warm dense aluminum plasma. (authors)

  17. 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...

  18. Physical transport properties of marine microplastic pollution

    Directory of Open Access Journals (Sweden)

    A. Ballent

    2012-12-01

    Full Text Available Given the complexity of quantitative collection, knowledge of the distribution of microplastic pollution in many regions of the world ocean is patchy, both spatially and temporally, especially for the subsurface environment. However, with knowledge of typical hydrodynamic behavior of waste plastic material, models predicting the dispersal of pelagic and benthic plastics from land sources into the ocean are possible. Here we investigate three aspects of plastic distribution and transport in European waters. Firstly, we assess patterns in the distribution of plastics found in fluvial strandlines of the North Sea and how distribution may be related to flow velocities and distance from source. Second, we model transport of non-buoyant preproduction pellets in the Nazaré Canyon of Portugal using the MOHID system after assessing the density, settling velocity, critical and depositional shear stress characteristics of such waste plastics. Thirdly, we investigate the effect of surface turbulences and high pressures on a range of marine plastic debris categories (various densities, degradation states and shapes tested in an experimental water column simulator tank and pressure laboratory. Plastics deposited on North Sea strandlines varied greatly spatially, as a function of material composition and distance from source. Model outputs indicated that such dense production pellets are likely transported up and down canyon as a function of tidal forces, with only very minor net down canyon movement. Behaviour of plastic fragments under turbulence varied greatly, with the dimensions of the material, as well as density, playing major determining roles. Pressure was shown to affect hydrodynamic behaviours of only low density foam plastics at pressures ≥ 60 bar.

  19. Tuning capillary surface properties by charged polymeric coatings.

    Science.gov (United States)

    Sola, Laura; Chiari, Marcella

    2015-10-01

    Separation of proteins in capillary electrophoresis (CE) is often hindered by their interactions with the silanols groups on the inner surface of the fused silica capillary. In particular, the positive charges of alkaline proteins establish electrostatic interactions with the negative charges of the surface, leading to peak broadening and loss of separation efficiency. Moreover, uncontrolled electroosmotic flow (EOF), severely impacts on analyte mobility causing either loss of resolution or loss of efficiency. Among several strategies, coatings are widely employed to mask capillary surface silanols and so to reduce protein adsorption and EOF. Here we report on the synthesis and characterization of a novel family of adsorbed polymeric coatings, which provide improved performance in terms of prevention of protein adsorption and EOF regulation. In particular, we have added to the polymer backbone, made of N, N-dimethylacrylamide, different ionizable monomers (weak acrylamido acids and bases commercially available with the trade name of Immobilines) to confer a net positive or negative charge to the polymer chain depending on the buffer pH. As a consequence, the separation of alkaline protein is drastically improved in different pH conditions, because the interactions with the inner capillary wall were completely prevented by electrostatic repulsion. The content of these ionogenic monomers can be adjusted, permitting a perfect control of the surface charge density, so EOF is finely and precisely regulated. We also investigated the conformational variation of the polymer on the surface by changing buffer pH using Dual Polarization Interferometry (DPI). The coating procedure is very simple and fast as it consists in the adsorption of a diluted aqueous solution of the polymer on the capillary walls. In addition, the coating is very stable under harsh conditions, can be used for several runs without any re-conditioning or re-coating steps and it is compatible with MS

  20. Superconducting properties of the weakly interacting charged Bose gas

    International Nuclear Information System (INIS)

    In 1955 Schafroth considered superconductivity of a charged ideal Bose gas. The Toc - ncc dependence, where Toc denotes the critical temperature for free bosons and noc - the condensate density (superconducting carriers density), has for T = 0 the known form Toc∼(noc)2/3/m*, which can be named the Uemura type relation. In some limits it agrees with the experimental data for high-Tc superconductors. (orig.)

  1. 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.

  2. 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.

  3. Temperature and Magnetic Field Effects on the Transport Controlled Charge State of a Single Quantum Dot

    Directory of Open Access Journals (Sweden)

    Moskalenko ES

    2010-01-01

    Full Text Available Abstract Individual InAs/GaAs quantum dots are studied by micro-photoluminescence. By varying the strength of an applied external magnetic field and/or the temperature, it is demonstrated that the charge state of a single quantum dot can be tuned. This tuning effect is shown to be related to the in-plane electron and hole transport, prior to capture into the quantum dot, since the photo-excited carriers are primarily generated in the barrier.

  4. Simulation Studies of Charge Transport on Resistive Structures in Gaseous Ionization Detectors

    CERN Document Server

    Budanur, Nazmi Burak

    2012-01-01

    We developed a tool for the simulation of charge transport on a conducting plate of finite dimensions. This tool is named Chani. Main motivation of developing Chani was to provide a tool for the optimization of the dimensions and resistivity of the anode electrodes in spark-protected Micropattern Gaseous Detectors (MPGD). In this thesis, we start with the general description of the LHC and the ATLAS Experiment. Then, we review the gaseous ionization detector technologies and in particular, the micromegas technology. We then present the working principles of Chani along with the example calculations. These examples include comparisons with the analytically solvable problems which shows that the simulation results are reasonable.

  5. 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 ...

  6. 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...

  7. 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...

  8. 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...

  9. 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.

  10. Statistical properties of transport in plasma turbulence

    DEFF Research Database (Denmark)

    Naulin, V.; Garcia, O.E.; Nielsen, A.H.;

    2004-01-01

    The statistical properties of the particle flux in different types of plasma turbulence models are numerically investigated using probability distribution functions (PDFs). The physics included in the models range from two-dimensional drift wave turbulence to three-dimensional MHD dynamics...

  11. 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.

  12. Charge-order driven multiferroic and magneto-dielectric properties of rare earth manganates

    Indian Academy of Sciences (India)

    Claudy Rayan Serrao; Jyoti Ranjan Sahu; Anirban Ghosh

    2010-04-01

    Charge-order driven magnetic ferroelectricity is shown to occur in several rare earth manganates of the general formula, Ln1–AMnO3 (Ln = rare earth, A = alkaline earth). Charge-ordered manganates exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperature. Magnetic fields have a marked effect on the dielectric properties of these compounds, indicating the presence of coupling between the magnetic and electrical order parameters. Magneto-dielectric properties are retained in small particles of the manganates. The observation of magneto-ferroelectricity in these manganates is in accordance with theoretical predictions.

  13. Mass and charge transport in micro and nano-fluidic channels

    CERN Document Server

    Mortensen, N A; Okkels, F; Bruus, H

    2006-01-01

    We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electro-osmosis. We use a Hilbert 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 which satisfy Onsager relations. In the limit of non-overlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the hydraulic radius R=2A/P with A and P being the cross-sectional area and perimeter, respectively. In articular, we consider the limits of thin non-overlapping as well as strongly overlapping Debye layers, respectively, and calculate the corrections to the hydraulic resistance due to electro-hydrodynamic interactions.

  14. 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

  15. Transport properties of porous media from the microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Torquato, S. [Princeton Univ., NJ (United States)

    1995-12-31

    The determination of the effective transport properties of a random porous medium remains a challenging area of research because the properties depend on the microstructure in a highly complex fashion. This paper reviews recent theoretical and experimental progress that we have made on various aspects of this problem. A unified approach is taken to characterize the microstructure and the seemingly disparate properties of the medium.

  16. Transport and Fatigue Properties of Ferroelectric Polymer P(VDF-TrFE) For Nonvolatile Memory Applications

    KAUST Repository

    Hanna, Amir

    2012-06-01

    Organic ferroelectrics polymers have recently received much interest for use in nonvolatile memory devices. The ferroelectric copolymer poly(vinylidene fluoride- trifluoroethylene) , P(VDF-TrFE), is a promising candidate due to its relatively high remnant polarization, low coercive field, fast switching times, easy processability, and low Curie transition. However, no detailed study of charge injection and current transport properties in P(VDF-TrFE) have been reported in the literature yet. Charge injection and transport are believed to affect various properties of ferroelectric films such as remnant polarization values and polarization fatigue behavior.. Thus, this thesis aims to study charge injection in P(VDF-TrFE) and its transport properties as a function of electrode material. Injection was studied for Al, Ag, Au and Pt electrodes. Higher work function metals such as Pt have shown less leakage current compared to lower work function metals such as Al for more than an order of magnitude. That implied n-type conduction behavior for P(VDF-TrFE), as well as electrons being the dominant injected carrier type. Charge transport was also studied as a function of temperature, and two major transport regimes were identified: 1) Thermionic emission over a Schottky barrier for low fields (E < 25 MV/m). 2) Space-Charge-Limited regime at higher fields (25 < E <120 MV/m). We have also studied the optical imprint phenomenon, the polarization fatigue resulting from a combination of broad band optical illumination and DC bias near the switching field. A setup was designed for the experiment, and validated by reproducing the reported effect in polycrystalline Pb(Zr,Ti)O3 , PZT, film. On the other hand, P(VDF-TrFE) film showed no polarization fatigue as a result of optical imprint test, which could be attributed to the large band gap of the material, and the low intensity of the UV portion of the arc lamp white light used for the experiment. Results suggest using high work

  17. CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

    Science.gov (United States)

    Mcbride, B.

    1994-01-01

    Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

  18. Optical and Transport Properties of Organic Molecules: Methods and Applications

    Science.gov (United States)

    Strubbe, David Alan

    Organic molecules are versatile and tunable building blocks for technology, in nanoscale and bulk devices. In this dissertation, I will consider some important applications for organic molecules involving optical and transport properties, and develop methods and software appropriate for theoretical calculations of these properties. Specifically, we will consider second-harmonic generation, a nonlinear optical process; photoisomerization, in which absorption of light leads to mechanical motion; charge transport in junctions formed of single molecules; and optical excitations in pentacene, an organic semiconductor with applications in photovoltaics, optoelectronics, and flexible electronics. In the Introduction (Chapter 1), I will give an overview of some phenomenology about organic molecules and these application areas, and discuss the basics of the theoretical methodology I will use: density-functional theory (DFT), time-dependent density-functional theory (TDDFT), and many-body perturbation theory based on the GW approximation. In the subsequent chapters, I will further discuss, develop, and apply this methodology. 2. I will give a pedagogical derivation of the methods for calculating response properties in TDDFT, with particular focus on the Sternheimer equation, as will be used in subsequent chapters. I will review the many different response properties that can be calculated (dynamic and static) and the appropriate perturbations used to calculate them. 3. Standard techniques for calculating response use either integer occupations (as appropriate for a system with an energy gap) or fractional occupations due to a smearing function, used to improve convergence for metallic systems. I will present a generalization which can be used to compute response for a system with arbitrary fractional occupations. 4. Chloroform (CHCl3) is a small molecule commonly used as a solvent in measurements of nonlinear optics. I computed its hyperpolarizability for second

  19. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    International Nuclear Information System (INIS)

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion

  20. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    Energy Technology Data Exchange (ETDEWEB)

    J. Conca

    2000-12-20

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion.

  1. 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.

  2. 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.

  3. 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.

  4. Methods for probing charging properties of polymeric materials using XPS

    Energy Technology Data Exchange (ETDEWEB)

    Sezen, Hikmet; Ertas, Gulay [Department of Chemistry, and Institute of Materials Science and Nanotechnology, Bilkent University, 06800 Ankara (Turkey); Suzer, Sefik, E-mail: suzer@fen.bilkent.edu.t [Department of Chemistry, and Institute of Materials Science and Nanotechnology, Bilkent University, 06800 Ankara (Turkey)

    2010-05-15

    Various thin polystyrene, PS, and poly(methyl methacrylate), PMMA and PS + PMMA blend films have been examined using the technique of recording X-ray photoelectron spectrum while the sample is subjected to +-10 V d.c. bias, and three different forms of (square-wave (SQW), sinusoidal (SIN) and triangular (TRG)), a.c. pulses. All films exhibit charging shifts as observed in the position of the corresponding C1s peak under d.c. bias. The a.c. pulses convert the single C1s peak to twinned peaks in the case of the square-wave form, and distort severely in the cases of the SIN, and TRG forms, and all three of them exhibit strong frequency dependence. In order to mimic and better understand the behavior of these polymeric materials, an artificial dielectric system consisting of a clean Si-wafer coupled to an external 1 MOMEGA resistor and 56 nF capacitor is created, and its response to different forms of voltage stimuli, is examined in detail. A simple electrical circuit model is also developed treating the system as consisting of a parallel resistor and a series capacitor. With the help of the model, the response of the artificial system is successfully calculated as judged by comparison with the experimental data. Using one high frequency SQW measurements, the off-set in the charging shift due to the extra low-energy neutralizing electrons is estimated. After correcting the corresponding off-set shifts, the XPS spectra of the three different PS films, one PMMA, and one PS + PMMA blend film are re-examined. As a result of these detailed analysis, there emerges a clear relationship between the thicknesses of the PS films with their charging abilities. In the blend film, PS and PMMA domains are electrically separated, and exhibit different charging shifts, however, the presence of one is felt by the other. Hence, the PS component shifts are larger in the blend, due to the presence of PMMA domains, which has intrinsically a larger R{sub eff}, and conversely the PMMA

  5. Methods for probing charging properties of polymeric materials using XPS

    International Nuclear Information System (INIS)

    Various thin polystyrene, PS, and poly(methyl methacrylate), PMMA and PS + PMMA blend films have been examined using the technique of recording X-ray photoelectron spectrum while the sample is subjected to ±10 V d.c. bias, and three different forms of (square-wave (SQW), sinusoidal (SIN) and triangular (TRG)), a.c. pulses. All films exhibit charging shifts as observed in the position of the corresponding C1s peak under d.c. bias. The a.c. pulses convert the single C1s peak to twinned peaks in the case of the square-wave form, and distort severely in the cases of the SIN, and TRG forms, and all three of them exhibit strong frequency dependence. In order to mimic and better understand the behavior of these polymeric materials, an artificial dielectric system consisting of a clean Si-wafer coupled to an external 1 MΩ resistor and 56 nF capacitor is created, and its response to different forms of voltage stimuli, is examined in detail. A simple electrical circuit model is also developed treating the system as consisting of a parallel resistor and a series capacitor. With the help of the model, the response of the artificial system is successfully calculated as judged by comparison with the experimental data. Using one high frequency SQW measurements, the off-set in the charging shift due to the extra low-energy neutralizing electrons is estimated. After correcting the corresponding off-set shifts, the XPS spectra of the three different PS films, one PMMA, and one PS + PMMA blend film are re-examined. As a result of these detailed analysis, there emerges a clear relationship between the thicknesses of the PS films with their charging abilities. In the blend film, PS and PMMA domains are electrically separated, and exhibit different charging shifts, however, the presence of one is felt by the other. Hence, the PS component shifts are larger in the blend, due to the presence of PMMA domains, which has intrinsically a larger Reff, and conversely the PMMA component shifts

  6. Effect of hydrogen on dynamic charge transport in amorphous oxide thin film transistors

    Science.gov (United States)

    Kim, Taeho; Nam, Yunyong; Hur, Ji-Hyun; Park, Sang-Hee Ko; Jeon, Sanghun

    2016-08-01

    Hydrogen in zinc oxide based semiconductors functions as a donor or a defect de-activator depending on its concentration, greatly affecting the device characteristics of oxide thin-film transistors (TFTs). Thus, controlling the hydrogen concentration in oxide semiconductors is very important for achieving high mobility and minimizing device instability. In this study, we investigated the charge transport dynamics of the amorphous semiconductor InGaZnO at various hydrogen concentrations as a function of the deposition temperature of the gate insulator. To examine the nature of dynamic charge trapping, we employed short-pulse current‑voltage and transient current‑time measurements. Among various examined oxide devices, that with a high hydrogen concentration exhibits the best performance characteristics, such as high saturation mobility (10.9 cm2 v‑1 s‑1), low subthreshold slope (0.12 V/dec), and negligible hysteresis, which stem from low defect densities and negligible transient charge trapping. Our finding indicates that hydrogen atoms effectively passivate the defects in subgap states of the bulk semiconductor, minimizing the mobility degradation and threshold voltage instability. This study indicates that hydrogen plays a useful role in TFTs by improving the device performance and stability.

  7. The programme library for numerical simulation of charged particle dynamics in transportation lines

    International Nuclear Information System (INIS)

    The description of a PC codes library to simulate the beam transportation of charged particles is presented. The codes are realized on IBM PC in Visual Basic common interface. It is destined for the simulation and optimization of beam dynamics and based on the successive and consistent use of two methods: the momentum method of distribution functions (RMS technique) and the particle-particle method (PP-Method). The library allows to calculate the RMS parameters of electron and ion beams, passing through a set of quadrupoles, solenoids, bends, accelerating sections. The RMS code is a fast code very suitable for the first test, design and optimization of the beam line parameters. The PP code requires more time for execution but provides a high accuracy of simulation taking into account the space charge effects, aberrations and beam losses. One of the main advantages of PP code presented here is an ability to simulate a real multicomponent beam of different masses and charged states of ions from ion sources

  8. A Generalized Boltzmann Fokker-Planck Method for Coupled Charged Particle Transport

    Energy Technology Data Exchange (ETDEWEB)

    Prinja, Anil K

    2012-01-09

    The goal of this project was to develop and investigate the performance of reduced-physics formulations of high energy charged particle (electrons, protons and heavier ions) transport that are computationally more efficient than not only analog Monte Carlo methods but also the established condensed history Monte Carlo technique. Charged particles interact with matter by Coulomb collisions with target nuclei and electrons, by bremsstrahlung radiation loss and by nuclear reactions such as spallation and fission. Of these, inelastic electronic collisions and elastic nuclear collisions are the dominant cause of energy-loss straggling and angular deflection or range straggling of a primary particle. These collisions are characterized by extremely short mean free paths (sub-microns) and highly peaked, near-singular differential cross sections about forward directions and zero energy loss, with the situation for protons and heavier ions more extreme than for electrons. For this reason, analog or truephysics single-event Monte Carlo simulation, while possible in principle, is computationally prohibitive for routine calculation of charged particle interaction phenomena.

  9. Effect of hydrogen on dynamic charge transport in amorphous oxide thin film transistors.

    Science.gov (United States)

    Kim, Taeho; Nam, Yunyong; Hur, Ji-Hyun; Park, Sang-Hee Ko; Jeon, Sanghun

    2016-08-12

    Hydrogen in zinc oxide based semiconductors functions as a donor or a defect de-activator depending on its concentration, greatly affecting the device characteristics of oxide thin-film transistors (TFTs). Thus, controlling the hydrogen concentration in oxide semiconductors is very important for achieving high mobility and minimizing device instability. In this study, we investigated the charge transport dynamics of the amorphous semiconductor InGaZnO at various hydrogen concentrations as a function of the deposition temperature of the gate insulator. To examine the nature of dynamic charge trapping, we employed short-pulse current-voltage and transient current-time measurements. Among various examined oxide devices, that with a high hydrogen concentration exhibits the best performance characteristics, such as high saturation mobility (10.9 cm(2) v(-1) s(-1)), low subthreshold slope (0.12 V/dec), and negligible hysteresis, which stem from low defect densities and negligible transient charge trapping. Our finding indicates that hydrogen atoms effectively passivate the defects in subgap states of the bulk semiconductor, minimizing the mobility degradation and threshold voltage instability. This study indicates that hydrogen plays a useful role in TFTs by improving the device performance and stability. PMID:27363543

  10. Charge transport in a-Si:H detectors: Comparison of analytical and Monte Carlo simulations

    International Nuclear Information System (INIS)

    To understand the signal formation in hydrogenated amorphous silicon (a-Si:H) p-i-n detectors, dispersive charge transport due to multiple trapping in a-Si:H tail states is studied both analytically and by Monte Carlo simulations. An analytical solution is found for the free electron and hole distributions n(x,t) and the transient current I(t) due to an initial electron-hole pair generated at an arbitrary depth in the detector for the case of exponential band tails and linear field profiles; integrating over all e-h pairs produced along the particle's trajectory yields the actual distributions and current; the induced charge Q(t) is obtained by numerically integrating the current. This generalizes previous models used to analyze time-of-flight experiments. The Monte Carlo simulation provides the same information but can be applied to arbitrary field profiles, field dependent mobilities and localized state distributions. A comparison of both calculations is made in a simple case to show that identical results are obtained over a large time domain. A comparison with measured signals confirms that the total induced charge depends on the applied bias voltage. The applicability of the same approach to other semiconductors is discussed

  11. Influence of Magnetic Field on Electric Charge Transport in Holomiun Thin Films at Low Temperatures

    Directory of Open Access Journals (Sweden)

    Jan Dudas

    2005-01-01

    Full Text Available Holmium thin films were prepared by evaporation in ultrahigh vacuum (UHV and high precision electrical resistance measurements were performed on them as well as on holomium bulk sample in the wide temperature range from 4,2 K up to the room temperature. Electric charge transport is profoundly influenced by the magnetic structure at low temperatures and a "knee-like" resistance anomaly was observed near the transportation from paramagnetic state to basal-plane spiral structure in bulk with the Neel temperature TN=128,9 K and below ~ 122 K in thin Ho films in a thickness range from 98 nm to 215 nm. Unexpected resistance minimum at ~ 9 K and a slope´s charge of the R vs. T curve near ~ 170 K was observed in 215 nm thin film. Application of magnetic field parallel to the substrate and thin film plane for temperatures below ~ 150 K caused the decrease of resistence value with increasing magnetic flux density. Increasing suppression of the TN value up to ~ 5 K with increasing flux density value up to 5 T was observed in Ho films. 

  12. Superconducting curved transport solenoid with dipole coils for charge selection of the muon beam

    Energy Technology Data Exchange (ETDEWEB)

    Strasser, P., E-mail: patrick.strasser@kek.jp [Muon Science Laboratory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); J-PARC Center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Ikedo, Y.; Miyake, Y.; Shimomura, K.; Kawamura, N.; Nishiyama, K.; Makimura, S.; Fujimori, H.; Koda, A.; Nakamura, J.; Nagatomo, T. [Muon Science Laboratory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); J-PARC Center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Adachi, T. [Department of Physics, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Pant, A.D. [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, 4-3-11 Takeda, Kofu 400-8511 (Japan); Ogitsu, T. [Cryogenic Science Center, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); J-PARC Center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Makida, Y.; Yoshida, M. [Institute of Particle and Nuclear Studies, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); J-PARC Center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Sasaki, K. [Cryogenic Science Center, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); J-PARC Center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Okamura, T. [Institute of Particle and Nuclear Studies, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); J-PARC Center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); and others

    2013-12-15

    Highlights: • Superconducting curved transport solenoid. • Muon charge selection by superimposed dipole field. • World strongest pulsed muon source. -- Abstract: At the J-PARC Muon Science Facility (MUSE) the Super-Omega muon beamline is now under construction in the experimental hall No. 2 of the Materials and Life Science Facility building. Muons up to 45 MeV/c will be extracted with a large acceptance solid angle to produce the world highest intensity pulsed muon beam. This beamline comprises three parts, a normal-conducting capture solenoid, a superconducting curved transport solenoid and an axial focusing solenoid. Since only solenoids are used, both surface μ{sup +} and cloud μ{sup −} are extracted simultaneously. To accommodate future experiments that would only require either μ{sup +} or μ{sup −} beam, two dipole coils located on the straight section of the curved solenoid provide the muon charge selection by directing one of the beam onto the solenoid inner-wall. The design parameters, the construction status and the initial beam commissioning are reported.

  13. 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.)

  14. Charge and spin transport in PEDOT:PSS nanoscale lateral devices.

    Science.gov (United States)

    de Oliveira, Thales V A G; Gobbi, Marco; Porro, José M; Hueso, Luis E; Bittner, Alexander M

    2013-11-29

    The electrical transport of the highly conductive poly-(3,4-ethylenedioxythiophene):poly(styrenesulfonic acid) (PEDOT:PSS) is investigated with Ohmic and spin-polarized tunnel contacts at nanoscale lateral dimensions. Temperature-dependent charge transport measurements reveal that electrical conductivity scales non-linearly as a function of electrode spacing, which is attributed to the localization of carriers induced by the disorder introduced by the PSS polyelectrolyte. In addition, we demonstrate the integration of this conducting polymer in nanoscale lateral spin-valve devices by increasing the pH of the PEDOT:PSS solution. We present charge and magnetotransport measurement results of NiFe/AlOx/PEDOT:PSS/AlOx/NiFe lateral structures for various thicknesses of the alumina tunnel barriers. We discuss the absence of magnetoresistance of our spin valves within the framework of Valet-Fert theory, and estimate an upper limit for the spin lifetime of carriers in PEDOT:PSS to τsf ≤ 50 ns. PMID:24177495

  15. A Multiplexed, Two-Electrode Platform for Biosensing Based on DNA-Mediated Charge Transport.

    Science.gov (United States)

    Furst, Ariel L; Hill, Michael G; Barton, Jacqueline K

    2015-06-16

    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-phenanthroline-5,6-dione) at the secondary electrodes induces covalent attachment via click chemistry of ethynyl-labeled DNA probe duplexes onto the primary electrodes that have been treated with azide-terminated alkylthiols. Electrochemical impedance spectroscopy and cyclic voltammetry confirm that catalyst activation at the secondary electrode is essential to maintain the integrity of the DNA monolayer. Electrochemical readout of DNA CT processes that occur at the primary electrode is accomplished also at the secondary electrode. The two-electrode system enables the platform to function as a collector-generator using either ferrocyanide or ferricyanide as mediators with methylene blue and DNA charge transport. Electrochemical measurements at the secondary electrode eliminate the need for large background corrections. The resulting sensitivity of this platform enables the reliable and simultaneous detection of femtomoles of the transcription factors TATA-binding protein and CopG on a single multiplexed device. PMID:26042916

  16. 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

  17. Charge transport and magnetoresistance of G4-DNA molecular device modulated by counter ions and dephasing effect

    Science.gov (United States)

    Kang, Da-wei; Sun, Meng-le; Zuo, Zheng-wei; Wang, Hui-xian; Lv, Shi-jie; Li, Xin-zhong; Li, Li-ben

    2016-02-01

    The charge transport properties of the G4-DNA molecular device in the presence of counter ions and dephasing effect are investigated based on the Green function method and Landauer-Büttiker theory. The currents through the G4-DNA molecular device depend on the interference patterns at different coupling configurations. There is an effective electrostatic interaction between the counter ions and the G4-DNA molecule which introduces disorder into the on-site energies of G bases. The current through the device can be enhanced by the small disorder which avoids the strong interference of electrons at the same energy in some coupling configurations, however the diagonal disorder can suppress the overall current due to the Anderson localization of charge carriers when the disorder is large. In the presence of dephasing effect the current through the device at all coupling configurations can be enhanced as a result of the phase coherence losing of electron. As for the magnetic field response, the magnetoresistance of the device is always suppressed by the counter ions and dephasing effect.

  18. Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties.

    Science.gov (United States)

    Shi, Wen; Zhao, Tianqi; Xi, Jinyang; Wang, Dong; Shuai, Zhigang

    2015-10-14

    Tuning carrier concentration via chemical doping is the most successful strategy to optimize the thermoelectric figure of merit. Nevertheless, how the dopants affect charge transport is not completely understood. Here we unravel the doping effects by explicitly including the scattering of charge carriers with dopants on thermoelectric properties of poly(3,4-ethylenedioxythiophene), PEDOT, which is a p-type thermoelectric material with the highest figure of merit reported. We corroborate that the PEDOT exhibits a distinct transition from the aromatic to quinoid-like structure of backbone, and a semiconductor-to-metal transition with an increase in the level of doping. We identify a close-to-unity charge transfer from PEDOT to the dopant, and find that the ionized impurity scattering dominates over the acoustic phonon scattering in the doped PEDOT. By incorporating both scattering mechanisms, the doped PEDOT exhibits mobility, Seebeck coefficient and power factors in very good agreement with the experimental data, and the lightly doped PEDOT exhibits thermoelectric properties superior to the heavily doped one. We reveal that the thermoelectric transport is highly anisotropic in ordered crystals, and suggest to utilize large power factors in the direction of polymer backbone and low lattice thermal conductivity in the stacking and lamellar directions, which is viable in chain-oriented amorphous nanofibers.

  19. Transport properties of colossal magnetoresistive materials

    CERN Document Server

    Yates, K A

    2002-01-01

    A microwave technique was developed in order to test the validity of the hypothesis that the microwave transport of polycrystalline, optimally doped, colossal magnetoresistive materials was dominated by intragranular material. The microwave surface resistance at 9GHz was compared with dc resistivity and magnetisation to study the influence of yttrium doping on the grain boundary regions of bulk polycrystalline samples of La sub 0 sub . sub 7 sub - sub x Y sub x Ca sub 0 sub . sub 3 MnO sub 3. It was found that, within the grains, the addition of yttrium causes the activation energy above T sub p to increase. A phenomenological model was introduced to explain the data in terms of the difference in structure between the grain and grain boundary regions. The technique was also used to study the influence of deoxygenation on the grain boundary regions of bulk, polycrystalline, La sub 0 sub . sub 6 sub 7 Ca sub 0 sub . sub 3 sub 3 MnO sub 3. For samples interconnected porosity, low temperature (600 deg C), short a...

  20. A novel picture for charge transport interpretation in epitaxial manganite thin films

    OpenAIRE

    Graziosi, Patrizio; Gambardella, Alessandro; Prezioso, Mirko; Riminucci, Alberto; Bergenti, Ilaria; Pullini, Daniele; Busquets-Mataix, David; Dediu, Valentin Alek

    2013-01-01

    Transport characterizations of epitaxial La0.7Sr0.3MnO3 thin films in the thickness range 5-40 nm and 25-410 K temperature interval have been accurately collected. We show that taking into account polaronic effects allows to achieve the best ever fitting of the transport curves in the whole temperature range. The Current Carriers Density Collapse picture accurately accounts for the properties variation across the metal-insulator-transition. The electron-phonon coupling parameter estimations a...