Nonlinear charge transport in the helicoidal DNA molecule.
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.
Electromagnetic radiation influence on nonlinear charge and energy transport in biosystems.
Brizhik, L; Cruzeiro-Hansson, L; Eremko, A
1999-06-01
The influence of electromagnetic radiation (EMR) on charge and energy transport processes in biological systems is studied in the light of the soliton model. It is shown that in the spectrum of biological effects of EMR there are two frequency resonances corresponding to qualitatively different frequency dependent effects of EMR on solitons. One of them is connected with the quasiresonance dynamic response of solitons to the EMR. At EMR frequencies close to the dynamic resonance frequency the solitons absorb energy from the field and generate intensive vibrational modes in the macromolecule. The second EMR resonance is connected with soliton decay due to the quantum mechanical transition of the system from the bound soliton state into the excited unbound states.
NASA Astrophysics Data System (ADS)
Okamoto, Kentaro; Tanaka, Toshiyuki; Fujita, Wataru; Awaga, Kunio; Inabe, Tamotsu
2007-08-01
We here examine the electrical and magnetic properties of the isostructural NT3•MCl4 ( NT=naphtho [2,1- d :6,5- d' ]bis([1,2,3] dithiazole and M=Ga and Fe). The crystal structure of NT3•MCl4 consists of one-dimensional π -stacking chains of NT with strong interchain interactions caused by electrostatic Sδ+•••Nδ- contacts. This structure includes four NT molecules with significant differences in molecular structure and charge, exhibiting a characteristic charge ordering, namely, three-dimensional alternation of charge-rich (or -intermediate) and -poor molecules. NT3•GaCl4 and NT3•FeCl4 are found to be semiconductors with σRT˜0.5Scm-1 and to exhibit a nonlinear electrical transport at room temperature with a very low threshold field of 80Vcm-1 for the negative differential resistance. This threshold field significantly increases with a decrease in temperature. The X -band electron paramagnetic resonance (EPR) spectra of NT3•GaCl4 consist of a single-line absorption ascribable to that of the NT+ cation. When the sample is exposed to a current at room temperature, this signal exhibits a drastic decrease in intensity with little change in linewidth. This is attributed to the inhomogeneous formation of EPR-silent conducting pathways for the nonlinear transport. The temperature dependence of the EPR spin susceptibility χs of NT3•GaCl4 suggests a transition toward a spin-gap state below 20K ; χs exhibits a Bonner-Fisher-type temperature dependence above 20K , but gradually collapses to zero below this temperature.
Fractional lattice charge transport
Flach, Sergej; Khomeriki, Ramaz
2017-01-01
We consider the dynamics of noninteracting quantum particles on a square lattice in the presence of a magnetic flux α and a dc electric field E oriented along the lattice diagonal. In general, the adiabatic dynamics will be characterized by Bloch oscillations in the electrical field direction and dispersive ballistic transport in the perpendicular direction. For rational values of α and a corresponding discrete set of values of E(α) vanishing gaps in the spectrum induce a fractionalization of the charge in the perpendicular direction - while left movers are still performing dispersive ballistic transport, the complementary fraction of right movers is propagating in a dispersionless relativistic manner in the opposite direction. Generalizations and the possible probing of the effect with atomic Bose-Einstein condensates and photonic networks are discussed. Zak phase of respective band associated with gap closing regime has been computed and it is found converging to π/2 value. PMID:28102302
Charge transport in organic semiconductors.
Bässler, Heinz; Köhler, Anna
2012-01-01
Modern optoelectronic devices, such as light-emitting diodes, field-effect transistors and organic solar cells require well controlled motion of charges for their efficient operation. The understanding of the processes that determine charge transport is therefore of paramount importance for designing materials with improved structure-property relationships. Before discussing different regimes of charge transport in organic semiconductors, we present a brief introduction into the conceptual framework in which we interpret the relevant photophysical processes. That is, we compare a molecular picture of electronic excitations against the Su-Schrieffer-Heeger semiconductor band model. After a brief description of experimental techniques needed to measure charge mobilities, we then elaborate on the parameters controlling charge transport in technologically relevant materials. Thus, we consider the influences of electronic coupling between molecular units, disorder, polaronic effects and space charge. A particular focus is given to the recent progress made in understanding charge transport on short time scales and short length scales. The mechanism for charge injection is briefly addressed towards the end of this chapter.
ERIC Educational Resources Information Center
Vail, Kathleen R.
1994-01-01
In Antelope Valley, California, a regional transportation consortium, cooperatively run by six adjacent school districts, is operating an electric-powered school bus as a pilot project. Although the prototype bus cost nearly six times more than a traditional school bus, lower operating and maintenance expenses and safety factors appeal to many…
Nonlinear Transport In Gases, Traps And Surfaces
NASA Astrophysics Data System (ADS)
Šuvakov, M.; Marjanovic, S.
2010-07-01
We will present our numerical study of three different charge transport processes and we will compare properties, specially the nonlinearity, of these processes. First process is electron transport in gases in swarm regime. We used well tested Monte Carlo techique to investigate kinetic phenomena such as negative diferencial conductivity (NDC) or negative apsolute mobility (NAM). We explain these phenomena analysing the spatial profiles of the swarm and collision events. In the second part we will apply the same technique on positron transport to obtain the same level of understanding of positron transport as has been achieved for electrons. The influence of positronium formation, non-conservative process, is much larger than any comparable effects in electron transport due to attachment and/or ionisation. As a result several new phenomena have been observed, such as NDC for the bulk drift velocity. Additionaly, the same Monte Carlo technique is used for modeling and optimisation of Surko like positron traps in different geometries and field configurations. Third process we studied is the charge transport under voltage bias via single-electron tunnelings through the junctions between metallic particles on nanoparticle films. We show how the regular nanoparticle array and topologically inhomogeneous nanonetworks affect the charge transport. We find long-range correlations in the time series of charge fluctuation at individual nanoparticles and of flow along the junctions within the network. These correlations explain the occurrence of a large non-linearity in the simulated and experimentally measured current-voltage characteristics and non-Gaussian fluctuations of the current at the electrode.
Charge carrier transport in polyvinylcarbazole
NASA Astrophysics Data System (ADS)
Tyutnev, Andrey P.; Saenko, Vladimir S.; Pozhidaev, Evgenii D.; Kolesnikov, Vladislav A.
2006-07-01
A critical analysis of the existing time-of-flight (TOF) data in poly(N-vinylcarbazole) (PVK) proves that these are highly controversial with claims and counterclaims about charge carrier transport (dispersive versus Gaussian). It is felt that the TOF method taken alone is incapable of resolving the standing dilemma. As a final means to resolve it, we propose a combination of two varieties of the TOF technique using both sheet-like and uniform carrier generation modes in conjunction with radiation-induced conductivity measurements. All three techniques are realized using the ELA-50 electron gun facility. To demonstrate the effectiveness of our approach we report experimental data for PVK, which show that carrier transport in this polymer is indeed dispersive. Evidence is presented substantiating the gross interference the surface traps could exert on the shape of a TOF transient. As a result, a preflight part of the TOF signal should not be used for parameter evaluation.
Charge Transport in Silicon Nanomembranes
NASA Astrophysics Data System (ADS)
Lagally, Max G.
2010-03-01
Charge transport in very thin semiconductor sheets, ribbons, or nanowires is dominated by surface and interface effects as a consequence of the absence of an extended bulk. In silicon, a model system for exploring these effects, factors can include interface states and fixed oxide charges if the Si nanomembrane is oxidized, surface states in chemically modified surfaces, reconstruction if the surface is clean, or a combination of these factors if the surfaces are not equivalent (e.g., one oxidized, the other clean). Additionally, in membranes or wires thin enough that quantum size effects are observable, surface roughness may influence conduction. For conventionally doped Si, effects become noticeable at nanomembrane thicknesses below ˜200 nm (depending on doping). We describe experiments on a platform based on (001) oriented silicon-on-insulator (SOI), using van der Pauw, Hall effect, and I-V measurements, along with scanning tunneling microscopy and diffraction, and theoretical analysis of several situations that shed light on the interplay of these factors. Measurements are compared on oxidixed membranes, clean and chemically modified surfaces on membranes, and attached and freestanding nanowires with well-defined surfaces, patterned from SOI. Most importantly, large changes in conductivity are possible with small changes in surface condition, making nanomembranes (well defined in surface orientation, thickness, and surface quality) an ideal vehicle for establishing a framework for understanding charge transport in nanostructured semiconductors. With W. Peng, S. Scott, F. Chen, J. Endres, I, Knezevic, D. Savage, M. Eriksson, C.-H. Lee, C. Ritz, M.-H. Huang, M. Ziwisky, and R. Blise [4pt] [1] P.P. Zhang et al., Nature 439 703 2006 [0pt] [2] S. Scott et al., ACS Nano 3 1683 2009 [0pt] [3] C-H. Lee et al., submitted
Collective transport of charges in charge density wave systems based on traveling soliton lattices
NASA Astrophysics Data System (ADS)
Rojo-Bravo, A.; Jacques, V. L. R.; Le Bolloc'h, D.
2016-11-01
Solitons are peculiar excitations that appear in a wide range of nonlinear systems such as in fluids or optics. We show here that the collective transport of charges observed in charge density wave (CDW) systems can be explained by using a similar theory based on a traveling soliton lattice. A coherent x-ray diffraction experiment performed in the sliding state of a CDW material reveals peculiar diffraction patterns in good agreement with this assumption. Therefore, the collective transport of charges in CDW systems may be due to a nonlinear interaction leading to a self-localized excitation, carrying charges without deformation through the sample, on top of the CDW ground state. This single theory explains why charges remain spatially correlated over very long distances and reconciles the main features of sliding CDW systems observed by transport measurements and diffraction. This approach highlights a new type of charge transport in CDW systems and opens perspectives in controlling correlated charges without dispersion over macroscopic distances.
Charge transport in nanoscale junctions.
Albrecht, Tim; Kornyshev, Alexei; Bjørnholm, Thomas
2008-09-03
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
Charge transport network dynamics in molecular aggregates
Jackson, Nicholas E.; Chen, Lin X.; Ratner, Mark A.
2016-07-20
Due to the nonperiodic nature of charge transport in disordered systems, generating insight into static charge transport networks, as well as analyzing the network dynamics, can be challenging. Here, we apply time-dependent network analysis to scrutinize the charge transport networks of two representative molecular semiconductors: a rigid n-type molecule, perylenediimide, and a flexible p-type molecule, bBDT(TDPP)2. Simulations reveal the relevant timescale for local transfer integral decorrelation to be ~100 fs, which is shown to be faster than that of a crystalline morphology of the same molecule. Using a simple graph metric, global network changes are observed over timescales competitive with charge carrier lifetimes. These insights demonstrate that static charge transport networks are qualitatively inadequate, whereas average networks often overestimate network connectivity. Finally, a simple methodology for tracking dynamic charge transport properties is proposed.
Charge transport network dynamics in molecular aggregates
Jackson, Nicholas E.; Chen, Lin X.; Ratner, Mark A.
2016-01-01
Due to the nonperiodic nature of charge transport in disordered systems, generating insight into static charge transport networks, as well as analyzing the network dynamics, can be challenging. Here, we apply time-dependent network analysis to scrutinize the charge transport networks of two representative molecular semiconductors: a rigid n-type molecule, perylenediimide, and a flexible p-type molecule, bBDT(TDPP)2. Simulations reveal the relevant timescale for local transfer integral decorrelation to be ∼100 fs, which is shown to be faster than that of a crystalline morphology of the same molecule. Using a simple graph metric, global network changes are observed over timescales competitive with charge carrier lifetimes. These insights demonstrate that static charge transport networks are qualitatively inadequate, whereas average networks often overestimate network connectivity. Finally, a simple methodology for tracking dynamic charge transport properties is proposed. PMID:27439871
Analysis of electrolyte transport through charged nanopores
NASA Astrophysics Data System (ADS)
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.
Ness, H; Dash, L K
2012-03-23
We calculate the nonequilibrium charge transport properties of nanoscale junctions in the steady state and extend the concept of charge susceptibility to the nonequilibrium conditions. We show that the nonequilibrium charge susceptibility is related to the nonlinear dynamical conductance. In spectroscopic terms, both contain the same features versus applied bias when charge fluctuation occurs in the corresponding electronic resonances. However, we show that, while the conductance exhibits features at biases corresponding to inelastic scattering with no charge fluctuations, the nonequilibrium charge susceptibility does not. We suggest that measuring both the nonequilibrium conductance and charge susceptibility in the same experiment will permit us to differentiate between different scattering processes in quantum transport.
Charge and spin transport in mesoscopic superconductors
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
Charge-transport model for conducting polymers
NASA Astrophysics Data System (ADS)
Dongmin Kang, Stephen; Jeffrey Snyder, G.
2016-11-01
The growing technological importance of conducting polymers makes the fundamental understanding of their charge transport extremely important for materials and process design. Various hopping and mobility edge transport mechanisms have been proposed, but their experimental verification is limited to poor conductors. Now that advanced organic and polymer semiconductors have shown high conductivity approaching that of metals, the transport mechanism should be discernible by modelling the transport like a semiconductor with a transport edge and a transport parameter s. Here we analyse the electrical conductivity and Seebeck coefficient together and determine that most polymers (except possibly PEDOT:tosylate) have s = 3 and thermally activated conductivity, whereas s = 1 and itinerant conductivity is typically found in crystalline semiconductors and metals. The different transport in polymers may result from the percolation of charge carriers from conducting ordered regions through poorly conducting disordered regions, consistent with what has been expected from structural studies.
Weakly nonlinear electrophoresis of a highly charged colloidal particle
NASA Astrophysics Data System (ADS)
Schnitzer, Ory; Zeyde, Roman; Yavneh, Irad; Yariv, Ehud
2013-05-01
At large zeta potentials, surface conduction becomes appreciable in thin-double-layer electrokinetic transport. In the linear weak-field regime, where this effect is quantified by the Dukhin number, it is manifested in non-Smoluchowski electrophoretic mobilities. In this paper we go beyond linear response, employing the recently derived macroscale model of Schnitzer and Yariv ["Macroscale description of electrokinetic flows at large zeta potentials: Nonlinear surface conduction," Phys. Rev. E 86, 021503 (2012), 10.1103/PhysRevE.86.021503] as the infrastructure for a weakly nonlinear analysis of spherical-particle electrophoresis. A straightforward perturbation in the field strength is frustrated by the failure to satisfy the far-field conditions, representing a non-uniformity of the weak-field approximation at large distances away from the particle, where salt advection becomes comparable to diffusion. This is remedied using inner-outer asymptotic expansions in the spirit of Acrivos and Taylor ["Heat and mass transfer from single spheres in Stokes flow," Phys. Fluids 5, 387 (1962), 10.1063/1.1706630], with the inner region representing the particle neighborhood and the outer region corresponding to distances scaling inversely with the field magnitude. This singular scheme furnishes an asymptotic correction to the electrophoretic velocity, proportional to the applied field cubed, which embodies a host of nonlinear mechanisms unfamiliar from linear electrokinetic theories. These include the effect of induced zeta-potential inhomogeneity, animated by concentration polarization, on electro-osmosis and diffuso-osmosis; bulk advection of salt; nonuniform bulk conductivity; Coulomb body forces acting on bulk volumetric charge; and the nonzero electrostatic force exerted upon the otherwise screened particle-layer system. A numerical solution of the macroscale model validates our weakly nonlinear analysis.
Charge Transport Processes in Molecular Junctions
NASA Astrophysics Data System (ADS)
Smith, Christopher Eugene
Molecular electronics (ME) has evolved into a rich area of exploration that combines the fields of chemistry, materials, electronic engineering and computational modeling to explore the physics behind electronic conduction at the molecular level. Through studying charge transport properties of single molecules and nanoscale molecular materials the field has gained the potential to bring about new avenues for the miniaturization of electrical components where quantum phenomena are utilized to achieve solid state molecular device functionality. Molecular junctions are platforms that enable these studies and consist of a single molecule or a small group of molecules directly connected to electrodes. The work presented in this thesis has built upon the current understanding of the mechanisms of charge transport in ordered junctions using self-assembled monolayer (SAM) molecular thin films. Donor and acceptor compounds were synthesized and incorporated into SAMs grown on metal substrates then the transport properties were measured with conducting probe atomic force microscopy (CP-AFM). In addition to experimentally measured current-voltage (I-V) curves, the transport properties were addressed computationally and modeled theoretically. The key objectives of this project were to 1) investigate the impact of molecular structure on hole and electron charge transport, 2) understand the nature of the charge carriers and their structure-transport properties through long (<4 nm) conjugated molecular wires, and 3) quantitatively extract interfacial properties characteristic to macroscopic junctions, such as energy level alignment and molecule-contact electronic coupling from experimental I-V curves. Here, we lay ground work for creating a more complete picture of charge transport in macroscopically ordered molecular junctions of controlled architecture, length and charge carrier. The polaronic nature of hopping transport has been predicted in long, conjugated molecular wires
Nonlinear transport in a two dimensional holographic superconductor
NASA Astrophysics Data System (ADS)
Zeng, Hua Bi; Tian, Yu; Fan, Zhe Yong; Chen, Chiang-Mei
2016-06-01
The problem of nonlinear transport in a two-dimensional superconductor with an applied oscillating electric field is solved by the holographic method. The complex conductivity can be computed from the dynamics of the current for both the near- and nonequilibrium regimes. The limit of weak electric field corresponds to the near-equilibrium superconducting regime, where the charge response is linear and the conductivity develops a gap determined by the condensate. A larger electric field drives the system into a superconducting nonequilibrium steady state, where the nonlinear conductivity is quadratic with respect to the electric field. Increasing the amplitude of the applied electric field results in a far-from-equilibrium nonsuperconducting steady state with a universal linear conductivity of one. In the lower temperature regime we also find chaotic behavior of the superconducting gap, which results in a nonmonotonic field-dependent nonlinear conductivity.
Numerical methods for nonlinear hillslope transport laws
NASA Astrophysics Data System (ADS)
Perron, J. Taylor
2011-06-01
The numerical methods used to solve nonlinear sediment transport equations often set very restrictive limits on the stability and accuracy of landscape evolution models. This is especially true for hillslope transport laws in which sediment flux increases nonlinearly as the surface slope approaches a limiting value. Explicit-time finite difference methods applied to such laws are subject to fundamental limits on numerical stability that require time steps much shorter than the timescales over which landscapes evolve, creating a heavy computational burden. I present an implicit method for nonlinear hillslope transport that builds on a previously proposed approach to modeling alluvial sediment transport and improves stability and accuracy by avoiding the direct calculation of sediment flux. This method can be adapted to any transport law in which the expression for sediment flux is differentiable. Comparisons of numerical solutions with analytic solutions in one and two dimensions show that the implicit method retains the accuracy of a standard explicit method while permitting time steps several orders of magnitude longer than the maximum stable time step for the explicit method. The ability to take long time steps affords a substantial savings in overall computation time, despite the implicit method's higher per-iteration computational cost. Implicit models for hillslope evolution also offer a distinct advantage when modeling the response of hillslopes to incising channels.
Numerical Methods for Nonlinear Hillslope Transport Laws
NASA Astrophysics Data System (ADS)
Perron, J. T.
2008-12-01
The numerical methods used to solve nonlinear sediment transport equations often set restrictive limits on the stability and accuracy of landscape evolution models. This is especially true for hillslope transport laws in which sediment flux increases nonlinearly as the surface slope approaches a limiting value. Standard explicit finite difference methods applied to such laws are subject to fundamental limits on numerical stability that require time steps much shorter than the timescales over which landscapes evolve, creating a heavy computational burden. Methods that rely on cell-to-cell sediment routing schemes can introduce significant errors that may not be obvious unless the numerical solution is compared with a known solution. I present a new, implicit method for nonlinear hillslope transport that builds on a previously proposed approach to modeling alluvial sediment transport but avoids the use of a cell-to-cell sediment routing scheme. Comparisons of numerical solutions with analytic solutions in one and two dimensions show that the new method retains the accuracy of the explicit method while allowing timesteps several orders of magnitude longer than the maximum timesteps permitted by the explicit method. The method can be adapted to any transport law in which the expression for sediment flux is differentiable, including coupled systems in which sediment flux is a function of quantities such as soil depth.
Quantum Electromagnetic Nonlinearity Affecting Charges and Dipole Moments
NASA Astrophysics Data System (ADS)
Adorno, T. C.; Gitman, D. M.; Shabad, A. E.; Shishmarev, A. A.
2017-03-01
Due to the nonlinearity of QED, a static charge becomes a magnetic dipole if placed in a magnetic field, and a magnetic monopole on the background is a combination of constant electric and magnetic fields. Already without external field, the cubic Maxwell equation for the field of a point charge has a soliton solution with a finite field energy and finite potential, the energy-momentum vector of a moving soliton being the same as that of a point massive particle. Equations are given for self-coupling dipole moments. Any theoretically found value for a multipole moment of a baryon or a meson should be subjected to nonlinear renormalization.
Transport in charged colloids driven by thermoelectricity.
Würger, Alois
2008-09-05
We study the thermal diffusion coefficient D{T} of a charged colloid in a temperature gradient, and find that it is to a large extent determined by the thermoelectric response of the electrolyte solution. The thermally induced salinity gradient leads in general to a strong increase with temperature. The difference of the heat of transport of coions and counterions gives rise to a thermoelectric field that drives the colloid to the cold or to the warm, depending on the sign of its charge. Our results provide an explanation for recent experimental findings on thermophoresis in colloidal suspensions.
Towards a wave theory of charged beam transport: A collection of thoughts
NASA Technical Reports Server (NTRS)
Dattoli, G.; Mari, C.; Torre, A.
1992-01-01
We formulate in a rigorous way a wave theory of charged beam linear transport. The Wigner distribution function is introduced and provides the link with classical mechanics. Finally, the von Neumann equation is shown to coincide with the Liouville equation for the nonlinear transport.
Electromagnetic radiation due to nonlinear oscillations of a charged drop
NASA Astrophysics Data System (ADS)
Shiryaeva, S. O.; Grigor'ev, A. N.; Kolbneva, N. Yu.
2016-03-01
The nonlinear oscillations of a spherical charged drop are asymptotically analyzed under the conditions of a multimode initial deformation of its equilibrium shape. It is found that if the spectrum of initially excited modes contains two adjacent modes, the translation mode of oscillations is excited among others. In this case, the center of the drop's charge oscillates about the equilibrium position, generating a dipole electromagnetic radiation. It is shown that the intensity of this radiation is many orders of magnitude higher than the intensity of the drop's radiation, which arises in calculations of the first order of smallness and is related to the drop's charged surface oscillations.
Charge transport through inhomogeneous polymeric materials
NASA Astrophysics Data System (ADS)
Vakhshouri, Kiarash
The generation of unique properties through mixing of organic semiconductors has enabled improved performance and novel functionalities in organic electronic devices. In organic light emitting diodes (OLEDs), isolated phases of a second material within the photoactive layer can act as recombination centers, enhancing the overall device performance. Mixing of flexible polymer semiconductors with high-mobility small organic molecules can yield high-performance flexible thin film transistors. Solution-processed, bulk-heterojunction (BHJ), thin-film organic solar cells rely on the self-assembly of polymer/fullerene donor/acceptor mixtures to create the necessary morphology with a high interfacial area for efficient photocurrent generation. Efficient conversion of absorbed photons into photocurrent requires sufficiently intimate mixing of the donor and acceptor phases such that photogenerated excitons can easily find an interface, as well as a sufficiently large thermodynamic driving force for charge separation at the interface. At the same time, efficient transport of separated charges towards the electrodes requires a certain degree of phase segregation between the two materials, to enable ordered molecular packing within each phase and also minimize interfacial recombination. Despite the importance of creating inhomogeneous mixtures of organic semiconductors and the tremendous recent advances in the performance of the aforementioned devices, it remains a challenge to fully describe the optoelectronic properties of organic semiconductor mixtures and understand the effects of structural and morphological parameters on charge transport. Recently, it has been shown that highly regioregular poly(3-hexylthiophene) (RR-P3HT) and poly[2,5-bis(3-hexadecylthiophen-2-yl)thieno(3,2-b)thiophene] (PBTTT) are promising materials for organic electronic applications due to the relatively high charge carrier mobility, high solubility in different organic solvents and acceptable film
Variational multiscale models for charge transport
Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin
2012-01-01
This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle
Anomalous Charge Transport in Disordered Organic Semiconductors
Muniandy, S. V.; Woon, K. L.; Choo, K. Y.
2011-03-30
Anomalous charge carrier transport in disordered organic semiconductors is studied using fractional differential equations. The connection between index of fractional derivative and dispersion exponent is examined from the perspective of fractional Fokker-Planck equation and its link to the continuous time random walk formalism. The fractional model is used to describe the bi-scaling power-laws observed in the time-of flight photo-current transient data for two different types of organic semiconductors.
Charge Transport in Conjugated Block Copolymers
NASA Astrophysics Data System (ADS)
Smith, Brandon; Le, Thinh; Lee, Youngmin; Gomez, Enrique
Interest in conjugated block copolymers for high performance organic photovoltaic applications has increased considerably in recent years. Polymer/fullerene mixtures for conventional bulk heterojunction devices, such as P3HT:PCBM, are severely limited in control over interfaces and domain length scales. In contrast, microphase separated block copolymers self-assemble to form lamellar morphologies with alternating electron donor and acceptor domains, thereby maximizing electronic coupling and local order at interfaces. Efficiencies as high as 3% have been reported in solar cells for one block copolymer, P3HT-PFTBT, but the details concerning charge transport within copolymers have not been explored. To fill this gap, we probed the transport characteristics with thin-film transistors. Excellent charge mobility values for electron transport have been observed on aluminum source and drain contacts in a bottom gate, bottom contact transistor configuration. Evidence of high mobility in ordered PFTBT phases has also been obtained following thermal annealing. The insights gleaned from our investigation serve as useful guideposts, revealing the significance of the interplay between charge mobility, interfacial order, and optimal domain size in organic block copolymer semiconductors.
Dust Charging and Transport on Surfaces
Wang, X.; Robertson, S.; Horanyi, M.
2011-11-29
In this paper, we review laboratory studies of dust transport on surfaces in plasmas, performed for a number of different mechanisms: 1) Dust particles were levitated in plasma sheaths by electrostatic forces balancing the gravitational force. 2) Dust was observed to spread over and lift off a surface that repels electrons in a plasma. 3) Dust was transported on surfaces having different secondary electron yields in plasma with an electron beam as a consequence of differential charging. 4) We also report a mechanism of dust transport by electric fields occurring at electron beam impact/shadow boundaries. These processes are candidates to explain the formation of dust ponds that were recently observed in craters on the asteroid Eros by the NEAR Shoemaker spacecraft.
Nonlinear Surface Transport in the Thin Double-Layer Limit
NASA Astrophysics Data System (ADS)
Chu, Kevin; Bazant, Martin
2006-03-01
At high applied electric fields, ionic transport within the double layer plays a significant role in the overall response of electrokinetic systems. It is well-known that surface transport processes, including surface electromigration, surface diffusion and surface advection, may impact the strength of electrokinetic phenomena by affecting both the zeta-potential and the magnitude of the tangential electric field. Therefore, it is important to include these effects when formulating the effective boundary conditions for the equations that govern electrokinetic flow outside of the double layer. In this talk, we discuss the application of a general formulation of ``surface conservation laws'' for diffuse boundary layers to derive effective boundary conditions that capture the physics of electrokinetic surface transport. Previous analyses (e.g. Deryagin & Dukhin 1969) are only valid for weak applied fields and are based on a linearization of the concentration and potential about a reference solution, but our results are fully nonlinear and hold at large applied fields as long as the double layer is sufficiently thin. We compare our nonlinear surface transport theory with existing linear analogues and apply it to the canonical problem of induced-charge electro-osmosis around a metal sphere or cylinder in a strong DC field.
Longitudinal emittance growth due to nonlinear space charge effect
NASA Astrophysics Data System (ADS)
Lau, Y. Y.; Yu, Simon S.; Barnard, John J.; Seidl, Peter A.
2012-03-01
Emittance posts limits on the key requirements of final pulse length and spot size on target in heavy ion fusion drivers. In this paper, we show studies on the effect of nonlinear space charge on longitudinal emittance growth in the drift compression section. We perform simulations, using the 3D PIC code WARP, for a high current beam under conditions of bends and longitudinal compression. The linear growth rate for longitudinal emittance turns out to depend only on the peak line charge density, and is independent of pulse length, velocity tilt, and/or the pipe and beam size. This surprisingly simple result is confirmed by simulations and analytic calculations.
Weak nonlinear surface-charging effects in electrolytic films.
Dean, D S; Horgan, R R
2003-11-01
A simple model of soap films with nonionic surfactants stabilized by added electrolyte is studied. The model exhibits charge regularization due to the incorporation of a physical mechanism responsible for the formation of a surface charge. We use a Gaussian field theory in the film but the full nonlinear surface terms which are then treated at a one-loop level by calculating the mean-field Poisson-Boltzmann solution and then the fluctuations about this solution. We carefully analyze the renormalization of the theory and apply it to a triple-layer model for a thin film with Stern layer of thickness h. For this model we give expressions for the surface charge sigma(L) and the disjoining pressure P(d)(L) and show their dependence on the parameters. The influence of image charges naturally arises in the formalism, and we show that predictions depend strongly on h because of their effects. In particular, we show that the surface charge vanishes as the film thickness L-->0. The fluctuation terms in this class of theories contribute a Casimir-like attraction across the film. Although this attraction is well known to be negligible compared with the mean-field component for model electrolytic films with no surface-charge regulation, in the model studied here these fluctuations also affect the surface-charge regulation leading to a fluctuation component in the disjoining pressure which has the same behavior as the mean-field component even for large film thickness.
Modeling field emitter arrays using nonlinear line charge distribution
NASA Astrophysics Data System (ADS)
Biswas, Debabrata; Singh, Gaurav; Kumar, Raghwendra
2016-09-01
Modeling high aspect ratio field emitter arrays is a computational challenge due to the enormity of the resources involved. The line charge model (LCM) provides an alternate semi-analytical tool that has been used to model both infinite as well as finite sized arrays. It is shown that the linearly varying charge density used in the LCM generically mimics ellipsoidal emitters rather than a Cylindrical-Post-with-an-Ellipsoidal-Tip (CPET) that is typical of nanowires. Furthermore, generalizing the charge density beyond the linear regime allows for modeling shapes that are closer to a CPET. Emitters with a fixed base radius and a fixed apex radius are studied with a view to understanding the effect of nonlinearity on the tip enhancement factor and the emitter current in each case. Furthermore, an infinite square array of the CPET emitters is studied using the nonlinear line charge model, each having a height h =1500 μm and a base radius b =1.5 μm . It is found that for moderate external field strengths ( 0.3 -0.4 V /μm ), the array current density falls sharply for lattice spacings smaller than 4/3 h . Beyond this value, the maximal array current density can be observed over a range of lattice spacings and falls gradually thereafter.
Charge transport in single crystal organic semiconductors
NASA Astrophysics Data System (ADS)
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
Transport of 3D space charge dominated beams
NASA Astrophysics Data System (ADS)
Lü, Jian-Qin
2013-10-01
In this paper we present the theoretical analysis and the computer code design for the intense pulsed beam transport. Intense beam dynamics is a very important issue in low-energy high-current accelerators and beam transport systems. This problem affects beam transmission and beam qualities. Therefore, it attracts the attention of the accelerator physicists worldwide. The analysis and calculation for the intense beam dynamics are very complicated, because the state of particle motion is dominated not only by the applied electromagnetic fields, but also by the beam-induced electromagnetic fields (self-fields). Moreover, the self fields are related to the beam dimensions and particle distributions. So, it is very difficult to get the self-consistent solutions of particle motion analytically. For this reason, we combine the Lie algebraic method and the particle in cell (PIC) scheme together to simulate intense 3D beam transport. With the Lie algebraic method we analyze the particle nonlinear trajectories in the applied electromagnetic fields up to third order approximation, and with the PIC algorithm we calculate the space charge effects to the particle motion. Based on the theoretical analysis, we have developed a computer code, which calculates beam transport systems consisting of electrostatic lenses, electrostatic accelerating columns, solenoid lenses, magnetic and electric quadruples, magnetic sextupoles, octopuses and different kinds of electromagnetic analyzers. The optimization calculations and the graphic display for the calculated results are provided by the code.
DNA Charge Transport over 34 nm
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 Nile Blue redox probe. Significant signal attenuation upon incorporation of a single base pair mismatch demonstrates that CT is DNA-mediated. Efficient cleavage of these 100-mers by a restriction enzyme indicates that the DNA adopts a native conformation that is accessible to protein binding. Similar electron transfer rates are measured through 100-mer and 17-mer monolayers, consistent with rate-limiting electron tunneling through the saturated carbon linker. This DNA-mediated CT distance of 34 nm surpasses most reports of molecular wires. PMID:21336329
Thermodynamics of charged black holes with a nonlinear electrodynamics source
Gonzalez, Hernan A.; Hassaiene, Mokhtar; Martinez, Cristian
2009-11-15
We study the thermodynamical properties of electrically charged black hole solutions of a nonlinear electrodynamics theory defined by a power p of the Maxwell invariant, which is coupled to Einstein gravity in four and higher spacetime dimensions. Depending on the range of the parameter p, these solutions present different asymptotic behaviors. We compute the Euclidean action with the appropriate boundary term in the grand canonical ensemble. The thermodynamical quantities are identified and, in particular, the mass and the charge are shown to be finite for all classes of solutions. Interestingly, a generalized Smarr formula is derived and it is shown that this latter encodes perfectly the different asymptotic behaviors of the black hole solutions. The local stability is analyzed by computing the heat capacity and the electrical permittivity and we find that a set of small black holes is locally stable. In contrast to the standard Reissner-Nordstroem solution, there is a first-order phase transition between a class of these nonlinear charged black holes and the Minkowski spacetime.
Thermodynamics of charged black holes with a nonlinear electrodynamics source
NASA Astrophysics Data System (ADS)
González, Hernán A.; Hassaïne, Mokhtar; Martínez, Cristián
2009-11-01
We study the thermodynamical properties of electrically charged black hole solutions of a nonlinear electrodynamics theory defined by a power p of the Maxwell invariant, which is coupled to Einstein gravity in four and higher spacetime dimensions. Depending on the range of the parameter p, these solutions present different asymptotic behaviors. We compute the Euclidean action with the appropriate boundary term in the grand canonical ensemble. The thermodynamical quantities are identified and, in particular, the mass and the charge are shown to be finite for all classes of solutions. Interestingly, a generalized Smarr formula is derived and it is shown that this latter encodes perfectly the different asymptotic behaviors of the black hole solutions. The local stability is analyzed by computing the heat capacity and the electrical permittivity and we find that a set of small black holes is locally stable. In contrast to the standard Reissner-Nordström solution, there is a first-order phase transition between a class of these nonlinear charged black holes and the Minkowski spacetime.
Nonlinear stability in the transport of intense bunched beams
NASA Astrophysics Data System (ADS)
Corrêa da Silva, Thales M.; Rizzato, Felipe B.; Pakter, Renato; Levin, Yan
2016-11-01
The paper investigates the nonlinear coupling of envelope modes of oscillation for intense bunched beams. Initially, the analysis concentrates on the case of spherically symmetric beams for which longitudinal and transverse focusing forces are assumed to be the same. It is investigated how externally induced spherically symmetric breathing oscillations may nonlinearly drive the growth of ellipsoidal modes which can break the spherical beam symmetry. Next, a more general case in which the focusing forces are not symmetric such that the matched beam already presents an ellipsoidal shape is studied. It is found that depending on the parameters of the system, even a very small mismatch amplitude can drive an instability, which leads to an effective coupling of longitudinal and transversal envelope oscillations by means of the space-charge forces. Use is made of Poincaré plots and the stability index of periodic orbits to perform a detailed analysis of the location of the instability in the parameter space and how it affects the beam transport. Self-consistent numerical simulations are performed in order to verify the onset of the nonlinear instability and its effect on the evolution of the RMS size and emittance of the beam.
Thermodynamic instability of nonlinearly charged black holes in gravity's rainbow
NASA Astrophysics Data System (ADS)
Hendi, S. H.; Panahiyan, S.; Panah, B. Eslam; Momennia, M.
2016-03-01
Motivated by the violation of Lorentz invariance in quantum gravity, we study black hole solutions in gravity's rainbow in the context of Einstein gravity coupled with various models of nonlinear electrodynamics. We regard an energy dependent spacetime and obtain the related metric functions and electric fields. We show that there is an essential singularity at the origin which is covered by an event horizon. We also compute the conserved and thermodynamical quantities and examine the validity of the first law of thermodynamics in the presence of rainbow functions. Finally, we investigate the thermal stability conditions for these black hole solutions in the context of canonical ensemble. We show that the thermodynamical structure of the solutions depends on the choices of nonlinearity parameters, charge, and energy functions.
Moderately nonlinear diffuse-charge dynamics under an ac voltage
NASA Astrophysics Data System (ADS)
Stout, Robert F.; Khair, Aditya S.
2015-09-01
The response of a symmetric binary electrolyte between two parallel, blocking electrodes to a moderate amplitude ac voltage is quantified. The diffuse charge dynamics are modeled via the Poisson-Nernst-Planck equations for a dilute solution of point-like ions. The solution to these equations is expressed as a Fourier series with a voltage perturbation expansion for arbitrary Debye layer thickness and ac frequency. Here, the perturbation expansion in voltage proceeds in powers of Vo/(kBT /e ) , where Vo is the amplitude of the driving voltage and kBT /e is the thermal voltage with kB as Boltzmann's constant, T as the temperature, and e as the fundamental charge. We show that the response of the electrolyte remains essentially linear in voltage amplitude at frequencies greater than the RC frequency of Debye layer charging, D /λDL , where D is the ion diffusivity, λD is the Debye layer thickness, and L is half the cell width. In contrast, nonlinear response is predicted at frequencies below the RC frequency. We find that the ion densities exhibit symmetric deviations from the (uniform) equilibrium density at even orders of the voltage amplitude. This leads to the voltage dependence of the current in the external circuit arising from the odd orders of voltage. For instance, the first nonlinear contribution to the current is O (Vo3) which contains the expected third harmonic but also a component oscillating at the applied frequency. We use this to compute a generalized impedance for moderate voltages, the first nonlinear contribution to which is quadratic in Vo. This contribution predicts a decrease in the imaginary part of the impedance at low frequency, which is due to the increase in Debye layer capacitance with increasing Vo. In contrast, the real part of the impedance increases at low frequency, due to adsorption of neutral salt from the bulk to the Debye layer.
Charge Transport Characterization of Novel Electronic Materials.
NASA Astrophysics Data System (ADS)
Marcy, Henry Orlando, 5th.
1990-01-01
The work presented includes analysis of electronic transport data and related measurements for the following types of materials: molecular metals and conducting polymers based upon phthalocyanine (Pc) building blocks, new composites of conducting polymers with inorganic polymeric and layered materials, and both bulk and thin film samples of the high -T_{rm c} ceramic superconductors. To successfully study such a wide spectrum of materials, the charge transport instrumentation has evolved into multiple computer-controlled experimental arrangements which process data for temperature dependent ac and dc conductivity, thermoelectric power, critical current density, and other measurements, over the temperature range of 1.5 K to 400 K. The phthalocyanine-based molecular metals and conducting polymers exhibit some of the highest reported conductivities for environmentally stable organic conductors, and possess a unique structure which is inherently resistant to large structural transformations upon donor/acceptor doping. These properties are demonstrated primarily by results for Ni(Pc)(ClO_4) _{rm y} and { (Si(Pc)O) X_{rm y}}_{rm n}. The rigidly-enforced structure of the latter system of materials allows for controllable tuning of the band-filling and hence, the charge transport properties of an organic conductor, from insulating to metal-like behavior, without any major structural alterations of the polymeric backbone. Other types of polymeric samples for which results are presented consist of composite fibers formed from the rigid rod polymers, Kevlar and PBT, "alloyed" with the (Pc)-based conducting polymers, and new microlaminates formed by intercalating various conducting polymers into the van der Waals gap of inorganic, layered host materials. Significant success has been achieved in the fabrication of superconducting films of Y-Ba-Cu-O, Bi-Sr(Pb)-Ca-Cu -O, and Tl-Ba-Ca-Cu-O by organometallic chemical vapor deposition. Results are also presented for films prepared
Simulating charge transport in organic semiconductors and devices: a review
NASA Astrophysics Data System (ADS)
Groves, C.
2017-02-01
Charge transport simulation can be a valuable tool to better understand, optimise and design organic transistors (OTFTs), photovoltaics (OPVs), and light-emitting diodes (OLEDs). This review presents an overview of common charge transport and device models; namely drift-diffusion, master equation, mesoscale kinetic Monte Carlo and quantum chemical Monte Carlo, and a discussion of the relative merits of each. This is followed by a review of the application of these models as applied to charge transport in organic semiconductors and devices, highlighting in particular the insights made possible by modelling. The review concludes with an outlook for charge transport modelling in organic electronics.
Preface: Charge transport in nanoscale junctions
NASA Astrophysics Data System (ADS)
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
Charge quantization in the CP(1) nonlinear σ-model
NASA Astrophysics Data System (ADS)
Hellerman, Simeon; Kehayias, John; Yanagida, Tsutomu T.
2014-01-01
We investigate the consistency conditions for matter fields coupled to the four-dimensional (N=1 supersymmetric) CP(1) nonlinear sigma model (the coset space SU(2/U(1). We find that consistency requires that the U(1 charge of the matter be quantized, in units of half of the U(1 charge of the Nambu-Goldstone (NG) boson, if the matter has a nonsingular kinetic term and the dynamics respect the full group SU(2. We can then take the linearly realized group U(1 to comprise the weak hypercharge group U(1 of the Standard Model. Thus we have charge quantization without a Grand Unified Theory (GUT), completely avoiding problems like proton decay, doublet-triplet splitting, and magnetic monopoles. We briefly investigate the phenomenological implications of this model-building framework. The NG boson is fractionally charged and completely stable. It can be naturally light, avoiding constraints while being a component of dark matter or having applications in nuclear physics. We also comment on the extension to other NLSMs on coset spaces, which will be explored more fully in a followup paper.
Lateral Charge Transport in Silicon Nanomembranes
NASA Astrophysics Data System (ADS)
Hu, Weiwei
Silicon nanomembranes, also called SiNMs, Si thin sheets or films, are a great platform to study surface sciences, since the bulk is diminished and the surface-to-volume ratio is large. In a single crystalline material, atoms on the surface experience different forces, electric fields, thermodynamic surroundings, etc., than those within the bulk. Therefore, unique structural, mechanical, electronic, optical, and many other properties associated with surfaces overweigh bulk effects; novel phenomena emerge. In particular, electronic features of Si are of significance due to the extensive use of Si in integrated circuit devices and biochemical sensor technologies. As a result, especially with the size of transistors quickly decreasing nowadays, the exploration of electronic characteristics of Si surfaces become much more significant. This is also interesting as a topic within the area of fundamental surface science. Silicon-on-insulator (SOI) provides a new structure for studying charge transport in the SiNM, which is monocrystalline and sits on top of the SOI wafer. I use SOI based SiNMs with two surface orientations: Si (001) and Si (111). The former is pervasive in industrial applications while the latter has interesting metallic surface states when 7x7 reconstruction occurs on a clean surface. My goal is to measure/infer the sheet conductance in the true surface layer with different surface situations, and to further investigate the surface band structure and how carriers distribute and move accordingly. The biggest challenge is to eliminate interferences, e.g., bulk effects. The following are two solutions. 1) The thickness of the used SiNMs spans 40 nm to 500 nm, with a nominal doping level of 1015 cm -3 in our experiment. A straightforward calculation of areal dopant density indicates that charge carriers from the extrinsic doping are 1˜2 orders of magnitude fewer than the trap states at the interface between the buried oxide in SOI and the top SiNM, meaning
DNA charge transport over 34 nm
NASA Astrophysics Data System (ADS)
Slinker, Jason D.; Muren, Natalie B.; Renfrew, Sara E.; Barton, Jacqueline K.
2011-03-01
Molecular wires show promise in nanoscale electronics, but the synthesis of uniform, long conductive molecules is a significant challenge. Deoxyribonucleic acid (DNA) of precise length, by contrast, is synthesized easily, but its conductivity over the distances required for nanoscale devices has not been explored. 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 Nile Blue redox probe. Significant signal attenuation upon incorporation of a single base-pair mismatch demonstrates that CT is DNA-mediated. Efficient cleavage of these 100-mers by a restriction enzyme indicates that the DNA adopts a native conformation accessible to protein binding. Similar electron-transfer rates measured through 100-mer and 17-mer monolayers are consistent with rate-limiting electron tunnelling through the saturated carbon linker. This DNA-mediated CT distance of 34 nm surpasses that of most reports of molecular wires.
31 CFR 337.2 - Transportation charges and risks.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Transportation charges and risks. 337.2 Section 337.2 Money and Finance: Treasury Regulations Relating to Money and Finance (Continued... FEDERAL HOUSING ADMINISTRATION DEBENTURES Certificated Debentures § 337.2 Transportation charges and...
Metal oxide charge transport material doped with organic molecules
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.
Brownian dynamics determine universality of charge transport in ionic liquids
Sangoro, Joshua R; Iacob, Ciprian; Mierzwa, Michal; Paluch, Marian; Kremer, Friedrich
2012-01-01
Broadband dielectric spectroscopy is employed to investigate charge transport in a variety of glass-forming ionic liquids over wide frequency, temperature and pressure ranges. Using a combination of Einstein, Einstein-Smoluchowski, and Langevin relations, the observed universal scaling of charge transport in ionic liquids is traced back to the dominant role of Brownian dynamics.
Cosmin Obreja, Alexandru; Cristea, Dana; Radoi, Antonio; Gavrila, Raluca; Comanescu, Florin; Kusko, Cristian; Mihalache, Iuliana
2014-08-25
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.
NASA Astrophysics Data System (ADS)
Bhattacharyya, S.; De, Simanta
2016-09-01
The impact of the solid polarization of a charged dielectric particle in gel electrophoresis is studied without imposing a weak-field or a thin Debye length assumption. The electric polarization of a dielectric particle due to an external electric field creates a non-uniform surface charge density, which in turn creates a non-uniform Debye layer at the solid-gel interface. The solid polarization of the particle, the polarization of the double layer, and the electro-osmosis of mobile ions within the hydrogel medium create a nonlinear effect on the electrophoresis. We have incorporated those nonlinear effects by considering the electrokinetics governed by the Stokes-Brinkman-Nernst-Planck-Poisson equations. We have computed the governing nonlinear coupled set of equations numerically by adopting a finite volume based iterative algorithm. Our numerical method is tested for accuracy by comparing with several existing results on free-solution electrophoresis as well as results based on the Debye-Hückel approximation. Our computed result shows that the electrophoretic velocity decreases with the rise of the particle dielectric permittivity constant and attains a saturation limit at large values of permittivity. A significant impact of the solid polarization is found in gel electrophoresis compared to the free-solution electrophoresis.
Nonlinear Acceleration Methods for Even-Parity Neutron Transport
W. J. Martin; C. R. E. De Oliveira; H. Park
2010-05-01
Convergence acceleration methods for even-parity transport were developed that have the potential to speed up transport calculations and provide a natural avenue for an implicitly coupled multiphysics code. An investigation was performed into the acceleration properties of the introduction of a nonlinear quasi-diffusion-like tensor in linear and nonlinear solution schemes. Using the tensor reduced matrix as a preconditioner for the conjugate gradients method proves highly efficient and effective. The results for the linear and nonlinear case serve as the basis for further research into the application in a full three-dimensional spherical-harmonics even-parity transport code. Once moved into the nonlinear solution scheme, the implicit coupling of the convergence accelerated transport method into codes for other physics can be done seamlessly, providing an efficient, fully implicitly coupled multiphysics code with high order transport.
DNA Charge Transport within the Cell
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 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 E. 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. Based on 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
Suppression of Space Charge Induced Beam Halo in Nonlinear Focusing Channel
Batygin, Yuri Konstantinovich; Scheinker, Alexander; Kurennoy, Sergey; Li, Chao
2016-01-29
An intense non-uniform particle beam exhibits strong emittance growth and halo formation in focusing channels due to nonlinear space charge forces of the beam. This phenomenon limits beam brightness and results in particle losses. The problem is connected with irreversible distortion of phase space volume of the beam in conventional focusing structures due to filamentation in phase space. Emittance growth is accompanied by halo formation in real space, which results in inevitable particle losses. We discuss a new approach for solving a self-consistent problem for a matched non-uniform beam in two-dimensional geometry. The resulting solution is applied to the problem of beam transport, while avoiding emittance growth and halo formation by the use of nonlinear focusing field. Conservation of a beam distribution function is demonstrated analytically and by particle-in-cell simulation for a beam with a realistic beam distribution.
Suppression of Space Charge Induced Beam Halo in Nonlinear Focusing Channel
Batygin, Yuri Konstantinovich; Scheinker, Alexander; Kurennoy, Sergey; ...
2016-01-29
An intense non-uniform particle beam exhibits strong emittance growth and halo formation in focusing channels due to nonlinear space charge forces of the beam. This phenomenon limits beam brightness and results in particle losses. The problem is connected with irreversible distortion of phase space volume of the beam in conventional focusing structures due to filamentation in phase space. Emittance growth is accompanied by halo formation in real space, which results in inevitable particle losses. We discuss a new approach for solving a self-consistent problem for a matched non-uniform beam in two-dimensional geometry. The resulting solution is applied to the problemmore » of beam transport, while avoiding emittance growth and halo formation by the use of nonlinear focusing field. Conservation of a beam distribution function is demonstrated analytically and by particle-in-cell simulation for a beam with a realistic beam distribution.« less
Sonnad, Kiran G.; Cary, John R.
2015-04-15
A procedure to obtain a near equilibrium phase space distribution function has been derived for beams with space charge effects in a generalized periodic focusing transport channel. The method utilizes the Lie transform perturbation theory to canonically transform to slowly oscillating phase space coordinates. The procedure results in transforming the periodic focusing system to a constant focusing one, where equilibrium distributions can be found. Transforming back to the original phase space coordinates yields an equilibrium distribution function corresponding to a constant focusing system along with perturbations resulting from the periodicity in the focusing. Examples used here include linear and nonlinear alternating gradient focusing systems. It is shown that the nonlinear focusing components can be chosen such that the system is close to integrability. The equilibrium distribution functions are numerically calculated, and their properties associated with the corresponding focusing system are discussed.
NONLINEAR EFFECTS IN PARTICLE TRANSPORT IN STOCHASTIC MAGNETIC FIELDS
Vlad, M.; Spineanu, F.; Croitoru, A.
2015-12-10
Collisional particle transport in stochastic magnetic fields is studied using a semi-analytical method. The aim is to determine the influence of the nonlinear effects that occur in the magnetic field line random walk on particle transport. We show that particle transport coefficients can be strongly influenced by the magnetic line trapping. The conditions that correspond to these nonlinear regimes are determined. We also analyze the effects produced by the space variation of the large-scale magnetic field. We show that an average drift is generated by the gradient of the magnetic field, which strongly increases and reverses its orientation in the nonlinear regime.
Charge transport in tri-p-tolylamine doped trinaphthalylbenzene glass
NASA Astrophysics Data System (ADS)
Lin, Liang-Bih; O'Reilly, James M.; Magin, Edward H.; Weiss, David S.; Jenekhe, Samson A.
2000-09-01
The charge transport properties of tri-p-tolylamine (TTA) doped trinaphthalylbenzene have been measured as a function of electric field and temperature. The charge mobilities of the composite are comparable to but somewhat lower than that of TTA doped polystyrene, a nonpolar polymeric host, at similar weight fractions. We suggest that the difference is due to inhomogeneity between the host and the dopant. The results suggest that, similar to polymer hosts in molecularly doped polymers, the molecular host only functions as an inert diluter and does not directly participate in the charge transport manifold. The results also substantiate the importance of molecular packing to charge hopping in disordered organic materials. The charge mobility data are analyzed with a disorder model due to Bässler and coworkers and a recently modified expression due to Novikov and coworkers [Phys. Rev. Lett. 81, 4472 (1998)]. Both models provide adequate descriptions of charge transport in organic amorphous materials.
Charged relativistic fluids and non-linear electrodynamics
NASA Astrophysics Data System (ADS)
Dereli, T.; Tucker, R. W.
2010-01-01
The electromagnetic fields in Maxwell's theory satisfy linear equations in the classical vacuum. This is modified in classical non-linear electrodynamic theories. To date there has been little experimental evidence that any of these modified theories are tenable. However with the advent of high-intensity lasers and powerful laboratory magnetic fields this situation may be changing. We argue that an approach involving the self-consistent relativistic motion of a smooth fluid-like distribution of matter (composed of a large number of charged or neutral particles) in an electromagnetic field offers a viable theoretical framework in which to explore the experimental consequences of non-linear electrodynamics. We construct such a model based on the theory of Born and Infeld and suggest that a simple laboratory experiment involving the propagation of light in a static magnetic field could be used to place bounds on the fundamental coupling in that theory. Such a framework has many applications including a new description of the motion of particles in modern accelerators and plasmas as well as phenomena in astrophysical contexts such as in the environment of magnetars, quasars and gamma-ray bursts.
Charge transport mechanism in lead oxide revealed by CELIV technique
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
Beam transport and space charge compensation strategies (invited)
Meusel, O. Droba, M.; Noll, D.; Schulte, K.; Schneider, P. P.; Wiesner, C.
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.
Beam transport and space charge compensation strategies (invited).
Meusel, O; Droba, M; Noll, D; Schulte, K; Schneider, P P; Wiesner, C
2016-02-01
The transport of intense ion beams is affected by the collective behavior of this kind of multi-particle and multi-species system. The space charge expressed by the generalized perveance dominates the dynamical process of thermalisation, which leads to emittance growth. To prevent changes of intrinsic beam properties and to reduce the intensity dependent focusing forces, space charge compensation seems to be an adequate solution. In the case of positively charged ion beams, electrons produced by residual gas ionization and secondary electrons provide the space charge compensation. The influence of the compensation particles on the beam transport and the local degree of space charge compensation is given by different beam properties as well as the ion beam optics. Especially for highly charged ion beams, space charge compensation in combination with poor vacuum conditions leads to recombination processes and therefore increased beam losses. Strategies for providing a compensation-electron reservoir at very low residual gas pressures will be discussed.
Charge Transport by Superexchange in Molecular Host-Guest Systems
NASA Astrophysics Data System (ADS)
Symalla, Franz; Friederich, Pascal; Massé, Andrea; Meded, Velimir; Coehoorn, Reinder; Bobbert, Peter; Wenzel, Wolfgang
2016-12-01
Charge transport in disordered organic semiconductors is generally described as a result of incoherent hopping between localized states. In this work, we focus on multicomponent emissive host-guest layers as used in organic light-emitting diodes (OLEDs), and show using multiscale ab initio based modeling that charge transport can be significantly enhanced by the coherent process of molecular superexchange. Superexchange increases the rate of emitter-to-emitter hopping, in particular if the emitter molecules act as relatively deep trap states, and allows for percolation path formation in charge transport at low guest concentrations.
Yu, X.; Hsu, T.-J.; Hanes, D.M.
2010-01-01
Sediment transport under nonlinear waves in a predominately sheet flow condition is investigated using a two-phase model. Specifically, we study the relative importance between the nonlinear waveshape and nonlinear boundary layer streaming on cross-shore sand transport. Terms in the governing equations because of the nonlinear boundary layer process are included in this one-dimensional vertical (1DV) model by simplifying the two-dimensional vertical (2DV) ensemble-averaged two-phase equations with the assumption that waves propagate without changing their form. The model is first driven by measured time series of near-bed flow velocity because of a wave group during the SISTEX99 large wave flume experiment and validated with the measured sand concentration in the sheet flow layer. Additional studies are then carried out by including and excluding the nonlinear boundary layer terms. It is found that for the grain diameter (0.24 mm) and high-velocity skewness wave condition considered here, nonlinear waveshape (e.g., skewness) is the dominant mechanism causing net onshore transport and nonlinear boundary layer streaming effect only causes an additional 36% onshore transport. However, for conditions of relatively low-wave skewness and a stronger offshore directed current, nonlinear boundary layer streaming plays a more critical role in determining the net transport. Numerical experiments further suggest that the nonlinear boundary layer streaming effect becomes increasingly important for finer grain. When the numerical model is driven by measured near-bed flow velocity in a more realistic surf zone setting, model results suggest nonlinear boundary layer processes may nearly double the onshore transport purely because of nonlinear waveshape. Copyright 2010 by the American Geophysical Union.
Nonlinear and frequency-dependent transport phenomena in low-dimensional conductors
NASA Astrophysics Data System (ADS)
Grüner, G.
1983-07-01
Nonlinear and frequency-dependent electrical conductivity is more a rule than an exception in materials with highly anisotropic electronic structure. Disorder leads to localization of the electronic wave functions, and the temperature-( T), electric field-( E), and frequency (ω)-dependent transport are due to random transfer rates between localized single particle states, a process fundamentally different from band transport. Interactions lead to collective modes, represented by a periodic modulation of the charge or spin density. The charge density wave (CDW) mode is pinned by impurities, but for small pinning forces, it can be depinned by moderate electric fields, leading to nonlinear conductivity due to a sliding CDW. Both classical and quantum models account for the field and frequency dependent response; they also describe current oscillation phenomena and effects which arise when both dc and ac excitations are applied. For strong pinning the collective mode cannot be depinned at small electric field strengths, but nonlinear (soliton) excitations of the collective modes may be responsible for the nonlinear conductivity observed. In all these cases field-and frequency-dependent transport is strongly related. This feature is reproduced by various models, and therefore a detailed study of σ( T, E,ω) is called for to distinguish between the various sources of novel transport phenomena in these new types of solids.
Charge Transport in Nonaqueous Liquid Electrolytes: A Paradigm Shift
2015-05-18
SECURITY CLASSIFICATION OF: We studied the temperature-dependence of mass and charge transport (ionic conductivity , self-diffusion, fluidity, and...Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 temperature dependence, conductivity , self-diffusion, fluidity, organic liquid...Shift Report Title We studied the temperature-dependence of mass and charge transport (ionic conductivity , self-diffusion, fluidity, and dielectric
An acoustic charge transport imager for high definition television applications
NASA Technical Reports Server (NTRS)
Hunt, William D.; Brennan, Kevin F.; Summers, Chris J.
1992-01-01
In this report we present the progress during the second six month period of the project. This includes both experimental and theoretical work on the acoustic charge transport (ACT) portion of the chip, the theoretical program modelling of both the avalanche photodiode (APD) and the charge transfer and overflow transistor and the materials growth and fabrication part of the program.
Enhanced energy transport owing to nonlinear interface interaction.
Su, Ruixia; Yuan, Zongqiang; Wang, Jun; Zheng, Zhigang
2016-01-20
It is generally expected that the interface coupling leads to the suppression of thermal transport through coupled nanostructures due to the additional interface phonon-phonon scattering. However, recent experiments demonstrated that the interface van der Waals interactions can significantly enhance the thermal transfer of bonding boron nanoribbons compared to a single freestanding nanoribbon. To obtain a more in-depth understanding on the important role of the nonlinear interface coupling in the heat transports, in the present paper, we explore the effect of nonlinearity in the interface interaction on the phonon transport by studying the coupled one-dimensional (1D) Frenkel-Kontorova lattices. It is found that the thermal conductivity increases with increasing interface nonlinear intensity for weak inter-chain nonlinearity. By developing the effective phonon theory of coupled systems, we calculate the dependence of heat conductivity on interfacial nonlinearity in weak inter-chain couplings regime which is qualitatively in good agreement with the result obtained from molecular dynamics simulations. Moreover, we demonstrate that, with increasing interface nonlinear intensity, the system dimensionless nonlinearity strength is reduced, which in turn gives rise to the enhancement of thermal conductivity. Our results pave the way for manipulating the energy transport through coupled nanostructures for future emerging applications.
DNA Charge Transport for Sensing and Signaling
Sontz, Pamela A.; Muren, Natalie B.; Barton, Jacqueline K.
2012-01-01
Conspectus The DNA duplex is an exquisite macromolecular array that stores genetic information to encode proteins and regulate pathways, but its unique structure imparts chemical function that allows it also to mediate charge transport (CT). We have utilized diverse platforms to probe DNA CT, using spectroscopic, electrochemical, and even genetic methods. These studies have established powerful features of DNA CT chemistry. DNA CT can occur over long molecular distances as long as the bases are well stacked; perturbations in base stacking as arise with single base mismatches, DNA lesions, and the binding of some proteins that kink the DNA, all serve to inhibit DNA CT. Significantly, single molecule studies of DNA CT show that ground state CT can occur over 34 nm as long as the duplex is well stacked; one single base mismatch inhibits CT. The DNA duplex is an effective sensor for the integrity of the base pair stack. Moreover the efficiency of DNA CT is what one would expect for a stack of graphite sheets, equivalent to the stack of DNA base pairs, and independent of the sugar-phosphate backbone. Since DNA CT offers a means to carry out redox chemistry from a distance, we have considered how this chemistry might be used for long range signaling in a biological context. We have taken advantage of our chemical probes and platforms to characterize DNA CT also in the context of the cell. CT can occur over long distances, perhaps funneling damage to particular sites and insulating others from oxidative stress. Significantly, transcription factors that activate the genome to respond to oxidative stress can also be activated from a distance through DNA CT. Numerous proteins work to maintain the integrity of the genome and increasingly they have been found to contain [4Fe-4S] clusters that do not appear to carry out either structural or enzymatic roles. Using electrochemical methods, we find that DNA binding shifts the redox potentials of the clusters, activating them
Physics of Nonlinear Transport in Semiconductors.
1979-10-11
quantum transport , carrier-carrier interactions and screening, non-equilibrium phonon interactions, experimental aspects of hot carrier transport, high magnetic field effects, device effects, noise and diffusion, and optical excitation of hot carriers.
Charge transport in electrically doped amorphous organic semiconductors.
Yoo, Seung-Jun; Kim, Jang-Joo
2015-06-01
This article reviews recent progress on charge generation by doping and its influence on the carrier mobility in organic semiconductors (OSs). The doping induced charge generation efficiency is generally low in OSs which was explained by the integer charge transfer model and the hybrid charge transfer model. The ionized dopants formed by charge transfer between hosts and dopants can act as Coulomb traps for mobile charges, and the presence of Coulomb traps in OSs broadens the density of states (DOS) in doped organic films. The Coulomb traps strongly reduce the carrier hopping rate and thereby change the carrier mobility, which was confirmed by experiments in recent years. In order to fully understand the doping mechanism in OSs, further quantitative and systematic analyses of charge transport characteristics must be accomplished.
Intermittency as a consequence of turbulent transport in nonlinear systems.
Rumpf, Benno; Newell, Alan C
2004-02-01
Intermittent high-amplitude structures emerge in a damped and driven discrete nonlinear Schrödinger equation whose solutions transport both energy and particles from sources to sinks. These coherent structures are necessary for any solution that has statistically stationary transport properties.
Topological charge algebra of optical vortices in nonlinear interactions
NASA Astrophysics Data System (ADS)
Shutova, Mariia; Zhdanova, Alexandra; Bahari, Aysan; Zhi, Miaochan; Sokolov, Alexei
2016-05-01
Optical vortices find their use in multiple areas of research and technology; in particular, they provide an opportunity to generate short-pulse spatially-structured optical beams, which can be used to study ultrafast processes. In our work, we explore interactions of femtosecond optical vortices in nonlinear crystals. We investigate the transfer of orbital angular momentum among multiple (applied and generated) beams involved in a coherent Raman interaction. We use a liquid crystal light modulator to shape the applied pump and Stokes beams into optical vortices with various integer values of topological charge, and cross them in a Raman-active crystal to produce multiple Stokes and anti-Stokes sidebands. We then examine the transfer of optical angular momentum into each sideband and find that it follows a certain law that can be derived from angular momentum conservation for created and annihilated photons, or equivalently, from phase-matching considerations for the interacting beams. Presenter is supported by the Herman F. Heep and Minnie Belle Heep Texas A&M University Endowed Fund administered by the Texas A&M Foundation
Charge accumulation due to spin transport in magnetic multilayers
NASA Astrophysics Data System (ADS)
Zhu, Yao-Hui; Xu, Deng-Hui; Geng, Ai-Cong
2014-08-01
Starting with the Valet-Fert theory of the current-perpendicular-to-plane giant magnetoresistance, we studied the charge accumulation due to spin transport in magnetic multilayers by solving Poisson's equation analytically. Our results show that, in ferromagnetic layers, the charge accumulation has two exponential terms with opposite signs and different decaying lengths: the Thomas-Fermi screening length (on the order of angstrom) and the spin diffusion length (tens of nm in 3d ferromagnetic metals). The charge accumulation on the scale of the screening length is spin-unpolarized and also present in spin-independent transport in nonmagnetic multilayers. However, the charge accumulation on the scale of the spin diffusion length is spin-polarized and shows up only in ferromagnetic layers. Our analysis also provides new insights into the widely used quasi-neutrality approximation, which neglects the charge accumulation.
Understanding dispersive charge-transport in crystalline organic-semiconductors.
Yavuz, Ilhan; Lopez, Steven A
2016-12-21
The effect of short-range order and dispersivity on charge-transport for organic crystalline semiconductors are important and unresolved questions. This exploration is the first to discern the role of short-range order on charge-transport for crystalline organic semiconductors. A multimode computational approach (including Molecular Dynamics and kinetic Monte Carlo simulations) is employed to understand the hole mobility dispersivity of crystalline organic semiconductors. Crystalline organic solids feature a mesoscale region where dispersive charge-transport dominates; our calculations show a clear transition of charge-mobility from non-dispersive to dispersive. An empirical relationship between the dispersive and non-dispersive transport transition region and ideal simulation box thickness is put forth. The dispersive to non-dispersive transition region occurs when energetic disorder approaches 72 meV. Non-dispersive transport is observed for simulation box sizes greater than 3.7 nm, which corresponds to approximately 12 π-stacked layers in typical π-stacked organic solids. A qualitative relationship is deduced between the variability of measured dispersive hole and variability of computed dispersive hole mobilities and system size. This relationship will guide future charge-transport investigations of condensed-phase organic systems.
Nonlinear transport processes in tokamak plasmas. I. The collisional regimes
NASA Astrophysics Data System (ADS)
Sonnino, Giorgio; Peeters, Philippe
2008-06-01
An application of the thermodynamic field theory (TFT) to transport processes in L-mode tokamak plasmas is presented. The nonlinear corrections to the linear ("Onsager") transport coefficients in the collisional regimes are derived. A quite encouraging result is the appearance of an asymmetry between the Pfirsch-Schlüter (P-S) ion and electron transport coefficients: the latter presents a nonlinear correction, which is absent for the ions, and makes the radial electron coefficients much larger than the former. Explicit calculations and comparisons between the neoclassical results and the TFT predictions for Joint European Torus (JET) plasmas are also reported. It is found that the nonlinear electron P-S transport coefficients exceed the values provided by neoclassical theory by a factor that may be of the order 102. The nonlinear classical coefficients exceed the neoclassical ones by a factor that may be of order 2. For JET, the discrepancy between experimental and theoretical results for the electron losses is therefore significantly reduced by a factor 102 when the nonlinear contributions are duly taken into account but, there is still a factor of 102 to be explained. This is most likely due to turbulence. The expressions of the ion transport coefficients, determined by the neoclassical theory in these two regimes, remain unaltered. The low-collisional regimes, i.e., the plateau and the banana regimes, are analyzed in the second part of this work.
Transport equations for subdiffusion with nonlinear particle interaction.
Straka, P; Fedotov, S
2015-02-07
We show how the nonlinear interaction effects 'volume filling' and 'adhesion' can be incorporated into the fractional subdiffusive transport of cells and individual organisms. To this end, we use microscopic random walk models with anomalous trapping and systematically derive generic non-Markovian and nonlinear governing equations for the mean concentrations of the subdiffusive cells or organisms. We uncover an interesting interaction between the nonlinearities and the non-Markovian nature of the transport. In the subdiffusive case, this interaction manifests itself in a nontrivial combination of nonlinear terms with fractional derivatives. In the long time limit, however, these equations simplify to a form without fractional operators. This provides an easy method for the study of aggregation phenomena. In particular, this enables us to show that volume filling can prevent "anomalous aggregation," which occurs in subdiffusive systems with a spatially varying anomalous exponent.
Momentum transport from nonlinear mode coupling of magnetic fluctuations
Hansen; Almagri; Craig; Den Hartog DJ; Hegna; Prager; Sarff
2000-10-16
A cause of observed anomalous plasma momentum transport in a reversed-field pinch is determined experimentally. Magnetohydrodynamic theory predicts that nonlinear interactions involving triplets of tearing modes produce internal torques that redistribute momentum. Evidence for the nonlinear torque is acquired by detecting the correlation of momentum redistribution with the mode triplets, with the elimination of one of the modes in the triplet, and with the external driving of one of the modes.
The Asymmetric Active Coupler: Stable Nonlinear Supermodes and Directed Transport
Kominis, Yannis; Bountis, Tassos; Flach, Sergej
2016-01-01
We consider the asymmetric active coupler (AAC) consisting of two coupled dissimilar waveguides with gain and loss. We show that under generic conditions, not restricted by parity-time symmetry, there exist finite-power, constant-intensity nonlinear supermodes (NS), resulting from the balance between gain, loss, nonlinearity, coupling and dissimilarity. The system is shown to possess non-reciprocal dynamics enabling directed power transport functionality. PMID:27640818
Ion and water transport in charge-modified graphene nanopores
NASA Astrophysics Data System (ADS)
Qiu, Ying-Hua; Li, Kun; Chen, Wei-Yu; Si, Wei; Tan, Qi-Yan; Chen, Yun-Fei
2015-10-01
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 influence fluid 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. Project supported by the National Basic Research Program of China (Grant Nos. 2011CB707601 and 2011CB707605), the National Natural Science Foundation of China (Grant No. 50925519), the Fundamental Research Funds for the Central Universities, Funding of Jiangsu Provincial Innovation Program for Graduate Education, China (Grant No. CXZZ13_0087), and the Scientific Research Foundation of Graduate School of Southeast University (Grant No. YBJJ 1322).
Modeling taper charge with a non-linear equation
NASA Technical Reports Server (NTRS)
Mcdermott, P. P.
1985-01-01
Work aimed at modeling the charge voltage and current characteristics of nickel-cadmium cells subject to taper charge is presented. Work reported at previous NASA Battery Workshops has shown that the voltage of cells subject to constant current charge and discharge can be modeled very accurately with the equation: voltage = A + (B/(C-X)) + De to the -Ex where A, B, D, and E are fit parameters and x is amp-hr of charge removed during discharge or returned during charge. In a constant current regime, x is also equivalent to time on charge or discharge.
Charge Transport Properties in Polymer Brushes
NASA Astrophysics Data System (ADS)
Moog, Mark; Tsui, Frank; Vonwald, Ian; You, Wei
Electrical transport properties in poly(3-methyl)thiophene (P3MT) brushes have been studied. The P3MT brushes correspond to a new type of surface-tethered, vertically oriented conjugated molecular wires, sandwiched between two metallic electrodes to form the electrode-molecule-electrode (EME) devices. P3MT is a highly conjugated polymer, a ''workhorse'' material for organic electronics and photonics. The P3MT brushes were grown on ITO surfaces with controlled length (between 2 and 100 nm). The top electrodes were transfer-printed Au films with lateral dimensions between 200 nm and 50 μm. I-V and differential conductance measurements were performed using conductive AFM and 4-terminal techniques. Tunneling and field-emission measurements in EME devices with molecular lengths < 5 nm show HOMO mediated direct hole tunneling with energy barriers of 0.3 and 0.5 eV at the respective interfaces with ITO and Au. The transport properties in longer brushes are indicative of the two quasi-Ohmic interfaces with a characteristic offset in the conductance minimum of 0.12 V biased toward the ITO. Temperature dependent parameters have been examined at various molecular lengths. The drift mobility and the interplay between intra- and intermolecular transport have been investigated.
Yuan, Wei; Li, Guanglei; Gil, Eun Seok; Lowe, Tao Lu; Fu, Bingmei M
2010-04-01
Charge carried by the surface glycocalyx layer (SGL) of the cerebral endothelium has been shown to significantly modulate the permeability of the blood-brain barrier (BBB) to charged solutes in vivo. The cultured monolayer of bEnd3, an immortalized mouse cerebral endothelial cell line, is becoming a popular in vitro BBB model due to its easy growth and maintenance of many BBB characteristics over repeated passages. To test whether the SGL of bEnd3 monolayer carries similar charge as that in the intact BBB and quantify this charge, which can be characterized by the SGL thickness (L(f)) and charge density (C(mf)), we measured the solute permeability of bEnd3 monolayer to neutral solutes and to solutes with similar size but opposite charges: negatively charged alpha-lactalbumin (-11) and positively charged ribonuclease (+3). Combining the measured permeability data with a transport model across the cell monolayer, we predicted the L(f) and the C(mf) of bEnd3 monolayer, which is approximately 160 nm and approximately 25 mEq/L, respectively. We also investigated whether orosomucoid, a plasma glycoprotein modulating the charge of the intact BBB, alters the charge of bEnd3 monolayer. We found that 1 mg/mL orosomucoid would increase SGL charge density of bEnd3 monolayer to approximately 2-fold of its control value.
Transportable charge in a periodic alternating gradient system
Lee, E.P.; Fessenden, T.J.; Laslett, L.J.
1985-05-01
A simple set of formulas is derived which relate emittance, line charge density, matched maximum and average envelope radii, occupancy factors, and the (space charge) depressed and vacuum values of tune. This formulation is an improvement on the smooth limit approximation; deviations from exact (numerically determined) relations are on the order of +-2%, while the smooth limit values are in error by up to +-30%. This transport formalism is used to determine the limits of transportable line charge density in an electrostatic quadrupole array, with specific application to the low energy portion of the High Temperature Experiment of Heavy Ion Fusion Accelerator Research. The line charge density limit is found to be essentially proportional to the voltage on the pole faces and the fraction of occupied aperture area. A finite injection energy (greater than or equal to 2 MeV) is required to realize this limit, independent of particle mass.
Interactive design environment transportation channel of relativistic charged particle beams
NASA Astrophysics Data System (ADS)
Osadchuk, I. O.; Averyanov, G. P.; Budkin, V. A.
2017-01-01
Considered a modern implementation of a computer environment for the design of channels of transportation of high-energy charged particle beams. The environment includes a software package for the simulation of the dynamics of charged particles in the channel, operating means for changing parameters of the channel, the elements channel optimization and processing of the output characteristics of the beam with the graphical output the main output parameters.
NASA Astrophysics Data System (ADS)
Collins, George; Federici, John; Imura, Yuki; Catalani, Luiz H.
2012-02-01
Electrospinning has become a widely implemented technique for the generation of nonwoven mats that are useful in tissue engineering and filter applications. The overriding factor that has contributed to the popularity of this method is the ease with which fibers with submicron diameters can be produced. Fibers on that size scale are comparable to protein filaments that are observed in the extracellular matrix. The apparatus and procedures for conducting electrospinning experiments are ostensibly simple. While it is rarely reported in the literature on this topic, any experience with this method of fiber spinning reveals substantial ambiguities in how the process can be controlled to generate reproducible results. The simplicity of the procedure belies the complexity of the physical processes that determine the electrospinning process dynamics. In this article, three process domains and the physical domain of charge interaction are identified as important in electrospinning: (a) creation of charge carriers, (b) charge transport, (c) residual charge. The initial event that enables electrospinning is the generation of region of excess charge in the fluid that is to be electrospun. The electrostatic forces that develop on this region of charged fluid in the presence of a high potential result in the ejection of a fluid jet that solidifies into the resulting fiber. The transport of charge from the charge solution to the grounded collection device produces some of the current which is observed. That transport can occur by the fluid jet and through the atmosphere surrounding the electrospinning apparatus. Charges that are created in the fluid that are not dissipated remain in the solidified fiber as residual charges. The physics of each of these domains in the electrospinning process is summarized in terms of the current understanding, and possible sources of ambiguity in the implementation of this technique are indicated. Directions for future research to further
Origin of traps and charge transport mechanism in hafnia
Islamov, D. R. Gritsenko, V. A.; Cheng, C. H.; Chin, A.
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.
Monte Carlo simulations of charge transport in heterogeneous organic semiconductors
NASA Astrophysics Data System (ADS)
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.
Simulation of bipolar charge transport in nanocomposite polymer films
NASA Astrophysics Data System (ADS)
Lean, Meng H.; Chu, Wei-Ping L.
2015-03-01
This paper describes 3D particle-in-cell simulation of bipolar charge injection and transport through nanocomposite film comprised of ferroelectric ceramic nanofillers in an amorphous polymer matrix. The classical electrical double layer (EDL) model for a monopolar core is extended (eEDL) to represent the nanofiller by replacing it with a dipolar core. Charge injection at the electrodes assumes metal-polymer Schottky emission at low to moderate fields and Fowler-Nordheim tunneling at high fields. Injected particles migrate via field-dependent Poole-Frenkel mobility and recombine with Monte Carlo selection. The simulation algorithm uses a boundary integral equation method for solution of the Poisson equation coupled with a second-order predictor-corrector scheme for robust time integration of the equations of motion. The stability criterion of the explicit algorithm conforms to the Courant-Friedrichs-Levy limit assuring robust and rapid convergence. The model is capable of simulating a wide dynamic range spanning leakage current to pre-breakdown. Simulation results for BaTiO3 nanofiller in amorphous polymer matrix indicate that charge transport behavior depend on nanoparticle polarization with anti-parallel orientation showing the highest leakage conduction and therefore lowest level of charge trapping in the interaction zone. Charge recombination is also highest, at the cost of reduced leakage conduction charge. The eEDL model predicts the meandering pathways of charge particle trajectories.
Charge transport in a zigzag silicene nanoribbon
NASA Astrophysics Data System (ADS)
Mehrotra, Nakul; Kumar, Niraj; Sen, Arijit
2013-02-01
Nanoscale transport properties of a zigzag silicene nanoribbon (zSiNR) are studied using first-principles calculations based on the non-equilibrium Green's function approach. Our theoretical analysis demonstrates how the scattering wavefunctions in the device region can shed light on the conductance behavior of a nanoelectronic device, made up of 3-zSiNR, spanning the width of three hexagons. The lowering of conductance at 100 mV bias is due mainly to the dominant character of the lowest unoccupied molecular orbital (LUMO) in the transmission profile. A zSiNR, having higher conductance than germanene, can thus be a potential candidate for silicon-based nanoelectronic devices due to its rich optoelectronic properties.
Nonlinear Dynamics and Quantum Transport in Small Systems
2012-02-22
microelectromechanical (MEM) and nanoelectromechanical (NEM) sys- tems; • Electronic transport in graphene systems. 2 Accomplishments and New Findings 2.1 Nonlinear...generators. All these were collaborative works with Dr. David Dietz from AFRL at Kirtland AFB. 2.2 Electronic transport in graphene systems There is...tremendous interest in graphene recently due to its potential applications in nano-scale electronic devices and circuits. It is possible that future
Charge Transport across DNA-Based Three-Way Junctions.
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.
Surface charge transport in Silicon (111) nanomembranes
NASA Astrophysics Data System (ADS)
Hu, Weiwei; Scott, Shelley; Jacobson, Rb; Savage, Donald; Lagally, Max; The Lagally Group Team
Using thin sheets (``nanomembranes'') of atomically flat crystalline semiconductors, we are able to investigate surface electronic properties, using back-gated van der Pauw measurement in UHV. The thinness of the sheet diminishes the bulk contribution, and the back gate tunes the conductivity until the surface dominates, enabling experimental determination of surface conductance. We have previously shown that Si(001) surface states interact with the body of the membrane altering the conductivity of the system. Here, we extended our prior measurements to Si(111) in order to probe the electronic transport properties of the Si(111) 7 ×7 reconstruction. Sharp (7 ×7) LEED images attest to the cleanliness of the Si(111) surface. Preliminary results reveal a highly conductive Si(111) 7 ×7 surface with a sheet conductance Rs of order of μS/ □, for 110nm thick membrane, and Rs is a very slowly varying function of the back gate voltage. This is in strong contrast to Si(001) nanomembranes which have a minimum conductance several orders of magnitude lower, and hints to the metallic nature of the Si(111) surface. Research supported by DOE.
Elsaesser, Thomas Reimann, Klaus; Woerner, Michael
2015-06-07
Intense terahertz (THz) electric field transients with amplitudes up to several megavolts/centimeter and novel multidimensional techniques are the key ingredients of nonlinear THz spectroscopy, a new area of basic research. Both nonlinear light-matter interactions including the non-perturbative regime and THz driven charge transport give new insight into the character and dynamics of low-energy excitations of condensed matter and into quantum kinetic phenomena. This article provides an overview of recent progress in this field, combining an account of technological developments with selected prototype results for liquids and solids. The potential of nonlinear THz methods for future studies of low-frequency excitations of condensed-phase molecular systems is discussed as well.
Theoretical characterization of charge transport in organic molecular crystals
NASA Astrophysics Data System (ADS)
Sanchez-Carrera, Roel S.
The rapid growth in the interest to explore new synthetic crystalline organic semiconductors and their subsequent device characterization has revived the debate on the development of theoretical models to better understand the intrinsic charge transport mechanisms in organic materials. At the moment, several charge-transport theories for organic molecular crystals have been proposed and have observed a comparable agreement with experimental results. However, these models are limited in scope and restricted to specific ranges of microscopic parameters and temperatures. A general description that is applicable in all parameter regimes is still unavailable. The first step towards a complete understanding of the problem associated with the charge transport in organic molecular crystals includes the development of a first-principles theoretical methodology to evaluate with high accuracy the main microscopic charge-transport parameters and their respective couplings with intra- and intermolecular vibrational degrees of freedom. In this thesis, we have developed a first-principles methodology to investigate the impact of electron-phonon interactions on the charge-carrier mobilities in organic molecular crystals. Well-known organic materials such as oligoacene and oligothienoacene derivatives were studied in detail. To predict the charge-transport phenomena in organic materials, we rely on the Marcus theory of electron-transfer reactions. Within this context, the nature of the intramolecular vibronic coupling in oligoacenes was studied using an approach that combines high-resolution gas-phase photo-electron spectroscopy measurements with first-principles quantum-mechanical calculations. This further led to investigation of the electron interactions with optical phonons in oligoacene single crystals. The lattice phonon modes were computed at both density functional theory (DFT) and empirical force field levels. The low-frequency optical modes are found to play a significant
NASA Astrophysics Data System (ADS)
Shukri, Seyfan Kelil
2017-01-01
We have done Kinetic Monte Carlo (KMC) simulations to investigate the effect of charge carrier density on the electrical conductivity and carrier mobility in disordered organic semiconductors using a lattice model. The density of state (DOS) of the system are considered to be Gaussian and exponential. Our simulations reveal that the mobility of the charge carrier increases with charge carrier density for both DOSs. In contrast, the mobility of charge carriers decreases as the disorder increases. In addition the shape of the DOS has a significance effect on the charge transport properties as a function of density which are clearly seen. On the other hand, for the same distribution width and at low carrier density, the change occurred on the conductivity and mobility for a Gaussian DOS is more pronounced than that for the exponential DOS.
[Hopping and superexchange mechanisms of charge transport to DNA].
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.
Physical constraints on charge transport through bacterial nanowires
Polizzi, Nicholas F.; Skourtis, Spiros S.
2012-01-01
Extracellular appendages of the dissimilatory metal-reducing bacterium Shewanella oneidensis MR-1 were recently shown to sustain currents of 1010 electrons per second over distances of 0.5 microns [El-Naggar et al., Proc. Natl. Acad. Sci. U. S. A., 2010, 107, 18127]. However, the identity of the charge localizing sites and their organization along the “nanowire” remain unknown. We use theory to predict redox cofactor separation distances that would permit charge flow at rates of 1010 electrons per second over 0.5 microns for voltage biases of ≤1V, using a steady-state analysis governed by a non-adiabatic electron transport mechanism. We find the observed currents necessitate a multi-step hopping transport mechanism, with charge localizing sites separated by less than 1 nm and reorganization energies that rival the lowest known in biology. PMID:22470966
Coherent and incoherent charge transport in linear triple quantum dots.
Contreras-Pulido, L Debora; Bruderer, Martin
2017-03-15
One of the fundamental questions in quantum transport is how charge transfer through complex nanostructures is influenced by quantum coherence. We address this issue for linear triple quantum dots by comparing a Lindblad density matrix description with a Pauli rate equation approach and analyze the corresponding zero-frequency counting statistics of charge transfer. The impact of decaying coherences of the density matrix due to dephasing is also studied. Our findings reveal that the sensitivity to coherence shown by shot noise and skewness, in particular in the limit of large coupling to the drain reservoir, can be used to unambiguously evidence coherent processes involved in charge transport across triple quantum dots. Our analytical results are obtained by using the characteristic polynomial approach to full counting statistics.
Physical constraints on charge transport through bacterial nanowires
Polizzi, Nicholas F.; Skourtis, Spiros S.; Beratan, David N.
2012-01-01
Extracellular appendages of the dissimilatory metal-reducing bacterium Shewanella oneidensis MR-1 were recently shown to sustain currents of 10{sup 10} electrons per second over distances of 0.5 microns [El-Naggar et al., Proc. Natl. Acad. Sci. U. S. A., 2010, 107, 18127]. However, the identity of the charge localizing sites and their organization along the “nanowire” remain unknown. We use theory to predict redox cofactor separation distances that would permit charge flow at rates of 10{sup 10} electrons per second over 0.5 microns for voltage biases of ≤1V, using a steady-state analysis governed by a non-adiabatic electron transport mechanism. We find the observed currents necessitate a multi-step hopping transport mechanism, with charge localizing sites separated by less than 1 nm and reorganization energies that rival the lowest known in biology.
Physical constraints on charge transport through bacterial nanowires
Polizzi, Nicholas F.; Skourtis, Spiros S.; Beratan, David N.
2011-10-17
Extracellular appendages of the dissimilatory metal-reducing bacterium Shewanella oneidensis MR-1 were recently shown to sustain currents of 10¹⁰ electrons per second over distances of 0.5 microns [El-Naggar et al., Proc. Natl. Acad. Sci. U. S. A., 2010, 107, 18127]. However, the identity of the charge localizing sites and their organization along the “nanowire” remain unknown. We use theory to predict redox cofactor separation distances that would permit charge flow at rates of 10¹⁰ electrons per second over 0.5 microns for voltage biases of ≤1V, using a steady-state analysis governed by a non-adiabatic electron transport mechanism. We find the observed currents necessitate a multi-step hopping transport mechanism, with charge localizing sites separated by less than 1 nm and reorganization energies that rival the lowest known in biology.
Charge pariticle transport in the non-isotropic turbulences
NASA Astrophysics Data System (ADS)
Sun, P.; Jokipii, J. R.
2015-12-01
The scattering and diffusion of energetic charged particles is not only important for understanding phenomena such as diffusive shock acceleration but it also is a natural probe of the statistical characteristics of magnetohydrodynamic (MHD) turbulence. Although Parker's transport equation (Parker 1965) allows us to describe the propagation of charged particles, the transport coefficients needed in the equation must be determined. Using Quasi-Linear Theory (QLT, e.g. Jokipii (1966)), one finds that coefficients can be related to the correlation function or power spectrum of homogeneous magnetic turbulence. However, different turbulence models will generally have a different influence on particle's scattering and diffusion. Among those models developed in MHD Turbulence, such as isotropic, Slab plus 2D (Tu & Marsch 1993; Gray et al 1996; Bieber et al 1996), etc. Here, using test-particle orbit simulations to calculate the transport coefficients, we study particle transport in synthesized asymmetric turbulence using the form first proposed by Goldreich & Sridhar (1995). We developed and introduce a systematic method to synthesize scale-dependent non-isotropic magnetic turbulences. We also developed and introduce a method to synthesize the 3d turbulent magnetic field from the observed solar wind time series dataset. We present the comparison of their effects on charge particle transport with previous theories and models.
NASA Astrophysics Data System (ADS)
Wen, Jing; Zhang, Xitian; Gao, Hong
2016-02-01
It is generally accepted that the nonlinear I-V characteristics for semiconductor nanostructures are mainly induced by the Schottky contacts or by the space charge limited transport mechanism. We perform I-V measurements on undoped and doped In-Zn-O compound nanobelts and confirm that their intrinsic non-ohmic transport behaviors are not caused by these mechanisms. A model based on the hopping assisted trap state electrons transport process is introduced to explain the nonlinear I-V characteristics and to extract their electrical parameters. An understanding of this trap-state influenced carrier transport can advance the progress of nanomaterials applications and enable us to distinguish their intrinsic transport behaviors from contact effects. The results also indicate that the material has good electrical properties and can be used as a potential substitute for In2O3.
Topological charge algebra of optical vortices in nonlinear interactions.
Zhdanova, Alexandra A; Shutova, Mariia; Bahari, Aysan; Zhi, Miaochan; Sokolov, Alexei V
2015-12-28
We investigate the transfer of orbital angular momentum among multiple beams involved in a coherent Raman interaction. We use a liquid crystal light modulator to shape pump and Stokes beams into optical vortices with various integer values of topological charge, and cross them in a Raman-active crystal to produce multiple Stokes and anti-Stokes sidebands. We measure the resultant vortex charges using a tilted-lens technique. We verify that in every case the generated beams' topological charges obey a simple relationship, resulting from angular momentum conservation for created and annihilated photons, or equivalently, from phase-matching considerations for multiple interacting beams.
Nonlinear parallel momentum transport in strong electrostatic turbulence
Wang, Lu Wen, Tiliang; Diamond, P. H.
2015-05-15
Most existing theoretical studies of momentum transport focus on calculating the Reynolds stress based on quasilinear theory, without considering the nonlinear momentum flux-〈v{sup ~}{sub r}n{sup ~}u{sup ~}{sub ∥}〉. However, a recent experiment on TORPEX found that the nonlinear toroidal momentum flux induced by blobs makes a significant contribution as compared to the Reynolds stress [Labit et al., Phys. Plasmas 18, 032308 (2011)]. In this work, the nonlinear parallel momentum flux in strong electrostatic turbulence is calculated by using a three dimensional Hasegawa-Mima equation, which is relevant for tokamak edge turbulence. It is shown that the nonlinear diffusivity is smaller than the quasilinear diffusivity from Reynolds stress. However, the leading order nonlinear residual stress can be comparable to the quasilinear residual stress, and so may be important to intrinsic rotation in tokamak edge plasmas. A key difference from the quasilinear residual stress is that parallel fluctuation spectrum asymmetry is not required for nonlinear residual stress.
Charge transport measurements of vertically aligned carbon nanofibers
NASA Astrophysics Data System (ADS)
Zhang, Lan
2005-07-01
Vertically aligned carbon nanofibers (VACNFs) have found a variety of electronic applications. To further realize these applications, a good understanding of the charge transport properties is essential. In this work, charge transport properties have been systematically measured for three types of VACNF forests with Ni as catalyst, namely VACNFs grown by direct current PECVD, and inductively coupled PECVD at both normal pressure and low pressure. The structure and composition of these nanofibers have also been investigated in detail prior to the charge transport measurements. Four-probe I-V measurements on individual nanofibers have been enabled by the fabrication of multiple metal ohmic contacts on individual fibers that exhibited resistance of only a few kO. An O2 plasma reactive ion etch method has been used to achieve ohmic contacts between the nanofibers and Ti/Au, Ag/Au, Cd/Au, and Cr/Au electrodes. Direct current VACNFs exhibit linear I-V behavior at room temperature, with a resistivity of approximately 4.2 x 10-3 O·cm. Our measurements are consistent with a dominant transport mechanism of electrons traveling through intergraphitic planes in the dc VACNFs. The resistivity of these fibers is almost independent of temperature, and the contact resistance decreases as temperature increases. Further studies reveal that the 10--15 nm thick graphitic outer layer dominates the charge transport properties of do VACNFs. This is demonstrated by comparison of charge transport properties of as-grown VACNFs and VACNFs with the outer layer partially removed by oxygen plasma reactive ion etch. The linear I-V behavior of the fibers does not vary as this outer layer becomes thinner, but displays a drastic shift to a rectifying behavior when this layer is completely stripped away from some regions of the nanofiber. This shift may be related with the compositional differences in the outer layer and the inner core of the nanofibers. Two-probe charge transport measurements on
Pore network model of electrokinetic transport through charged porous media
NASA Astrophysics Data System (ADS)
Obliger, Amaël; Jardat, Marie; Coelho, Daniel; Bekri, Samir; Rotenberg, Benjamin
2014-04-01
We introduce a method for the numerical determination of the steady-state response of complex charged porous media to pressure, salt concentration, and electric potential gradients. The macroscopic fluxes of solvent, salt, and charge are computed within the framework of the Pore Network Model (PNM), which describes the pore structure of the samples as networks of pores connected to each other by channels. The PNM approach is used to capture the couplings between solvent and ionic flows which arise from the charge of the solid surfaces. For the microscopic transport coefficients on the channel scale, we take a simple analytical form obtained previously by solving the Poisson-Nernst-Planck and Stokes equations in a cylindrical channel. These transport coefficients are upscaled for a given network by imposing conservation laws for each pores, in the presence of macroscopic gradients across the sample. The complex pore structure of the material is captured by the distribution of channel diameters. We investigate the combined effects of this complex geometry, the surface charge, and the salt concentration on the macroscopic transport coefficients. The upscaled numerical model preserves the Onsager relations between the latter, as expected. The calculated macroscopic coefficients behave qualitatively as their microscopic counterparts, except for the permeability and the electro-osmotic coupling coefficient when the electrokinetic effects are strong. Quantitatively, the electrokinetic couplings increase the difference between the macroscopic coefficients and the corresponding ones for a single channel of average diameter.
Morozovska, Anna N.; Morozovsky, Nicholas V.; Eliseev, Eugene A.; Varenyk, Olexandr V.; Kim, Yunseok; Strelcov, Evgheni; Tselev, Alexander; Kalinin, Sergei V.
2014-08-14
We performed self-consistent modelling of nonlinear electrotransport and electromechanical response of thin films of mixed ionic-electronic conductors (MIEC) allowing for steric effects of mobile charged defects (ions, protons, or vacancies), electron degeneration, and Vegard stresses. We establish correlations between the features of the nonlinear space-charge dynamics, current-voltage, and bending-voltage curves for different types of the film electrodes. A pronounced ferroelectric-like hysteresis of the bending-voltage loops and current maxima on the double hysteresis current-voltage loops appear for the electron-transport electrodes. The double hysteresis loop with pronounced humps indicates a memristor-type resistive switching. The switching occurs due to the strong nonlinear coupling between the electronic and ionic subsystems. A sharp meta-stable maximum of the electron density appears near one open electrode and moves to another one during the periodic change of applied voltage. Our results can explain the nonlinear nature and correlation of electrical and mechanical memory effects in thin MIEC films. The analytical expression proving that the electrically induced bending of MIEC films can be detected by interferometric methods is derived.
Belzig, Wolfgang
2015-01-01
Summary We study analytically the Full Counting Statistics of the charge transport through a nanosystem consisting of a few electronic levels weakly coupled to a discrete vibrational mode. In the limit of large transport voltage bias the cumulant generating function can be evaluated explicitly based solely on the intuitive physical arguments and classical master equation description of the vibration mode. We find that for the undamped vibrational modes mutual dynamical interplay between electronic and vibronic degrees of freedom leads to strongly nonlinear (in voltage) transport characteristics of the nanosystem. In particular, we find that for large voltages the k-th cumulant of the current grows as V 2k to be contrasted with the linear dependence in case of more strongly externally damped and thus thermalized vibrational modes. PMID:26425436
Charge transport in nitro substituted oligo(phenylene-ethynylene) molecules
NASA Astrophysics Data System (ADS)
Cabassi, Marco Alberto
2007-12-01
This thesis presents research aimed at tackling two issues in the field of molecular electronics. The first issue is the large range of molecular conductance values reported by various research groups for identical molecules. This is addressed by studying the same molecule in dissimilar environments. The second issue is experimental uncertainty---whether the observed effects are inherent to the molecule or due to external causes. This is addressed by performing in-situ spectroscopy of the molecule as part of its electrical characterization. Oligo(phenylene-ethynylene)s are a well studied class of molecules in the field of molecular electronics, and this work focuses on charge transport through nitro substituted oligo(phenylene-ethynylene) molecules. The electrical characterization of these molecules was performed utilizing two testbeds. An electromigrated break-junction testbed was used to probe individual molecules, while a nanowire molecular junction testbed was used to probe self-assembled monolayers of the molecule. Experiments performed on individual molecules revealed a temperature dependent transition in the dominant charge transport mechanism. Above 50K, hopping is the dominant charge transport mechanism, while below 50K direct tunneling is the dominant charge transport mechanism. Experiments performed on self-assembled monolayers did not reveal any temperature dependent transitions. The dominant charge transport mechanism appears to be direct tunneling throughout the temperature range investigated. The results also indicate that molecules embedded in a self-assembled monolayer have significantly lower conductance than individual molecules. This is primarily due to a second charge transport mechanism (hopping) that opens up above 50K that is available only to individual molecules, and secondarily due to better potential screening properties of the self-assembled monolayers. Inelastic electron tunneling spectra obtained for the molecules in a self
The polydisperse cell model: Nonlinear screening and charge renormalization in colloidal mixtures
NASA Astrophysics Data System (ADS)
Torres, Aldemar; Téllez, Gabriel; van Roij, René
2008-04-01
We propose a model for the calculation of renormalized charges and osmotic properties of mixtures of highly charged colloidal particles. The model is a generalization of the cell model and the notion of charge renormalization as introduced by Alexander et al. [J. Chem. Phys. 80, 5776 (1984)]. The total solution is partitioned into as many different cells as components in the mixture. The radii of these cells are determined self-consistently for a given set of parameters from the solution of the nonlinear Poisson-Boltzmann equation with appropriate boundary conditions. This generalizes Alexanders's model where the (unique) Wigner-Seitz cell radius is solely fixed by the colloid packing fraction. We illustrate the technique by considering a binary mixture of the colloids with the same sign of charge. The present model can be used to calculate thermodynamic properties of highly charged colloidal mixtures at the level of linear theories, while taking the effect of nonlinear screening into account.
Nonlinearly-enhanced energy transport in many dimensional quantum chaos
Brambila, D. S.; Fratalocchi, A.
2013-01-01
By employing a nonlinear quantum kicked rotor model, we investigate the transport of energy in multidimensional quantum chaos. This problem has profound implications in many fields of science ranging from Anderson localization to time reversal of classical and quantum waves. We begin our analysis with a series of parallel numerical simulations, whose results show an unexpected and anomalous behavior. We tackle the problem by a fully analytical approach characterized by Lie groups and solitons theory, demonstrating the existence of a universal, nonlinearly-enhanced diffusion of the energy in the system, which is entirely sustained by soliton waves. Numerical simulations, performed with different models, show a perfect agreement with universal predictions. A realistic experiment is discussed in two dimensional dipolar Bose-Einstein-Condensates (BEC). Besides the obvious implications at the fundamental level, our results show that solitons can form the building block for the realization of new systems for the enhanced transport of matter. PMID:23912934
Superexchange Charge Transport in Loaded Metal Organic Frameworks.
Neumann, Tobias; Liu, Jianxi; Wächter, Tobias; Friederich, Pascal; Symalla, Franz; Welle, Alexander; Mugnaini, Veronica; Meded, Velimir; Zharnikov, Michael; Wöll, Christof; Wenzel, Wolfgang
2016-07-26
In the past, nanoporous metal-organic frameworks (MOFs) have been mostly studied for their huge potential with regard to gas storage and separation. More recently, the discovery that the electrical conductivity of a widely studied, highly insulating MOF, HKUST-1, improves dramatically when loaded with guest molecules has triggered a huge interest in the charge carrier transport properties of MOFs. The observed high conductivity, however, is difficult to reconcile with conventional transport mechanisms: neither simple hopping nor band transport models are consistent with the available experimental data. Here, we combine theoretical results and new experimental data to demonstrate that the observed conductivity can be explained by an extended hopping transport model including virtual hops through localized MOF states or molecular superexchange. Predictions of this model agree well with precise conductivity measurements, where experimental artifacts and the influence of defects are largely avoided by using well-defined samples and the Hg-drop junction approach.
A nonlinear feedback model for granular and surface charging
NASA Astrophysics Data System (ADS)
Shinbrot, Troy; Kozachkov, Leo; Siu, Theo
2015-03-01
Independent laboratories have experimentally demonstrated that identical materials brought into symmetric contact generate contact charges. Even the most basic features of this odd behavior remain to be explained. In this talk, we provide a simple, Ising-like, model that appears to account for many of the observed phenomena. We calculate the electric field acting on surface molecules in a lattice, and we show that if the molecules are polarizable, then infinitesimal random polarizations typically build exponentially rapidly in time. These polarizations self-assemble to produce surface patterns that come in two types, and we find that one of these types accounts for strong localized charging, while the other produces a weaker persistent surface charge pattern. We summarize predictions for both ideal surfaces and for defects in granular beds. This work was supported by NSF Grant DMR-1404792.
Nonlinear mixing of optical vortices with fractional topological charge in Raman sideband generation
NASA Astrophysics Data System (ADS)
Strohaber, J.; Boran, Y.; Sayrac, M.; Johnson, L.; Zhu, F.; Kolomenskii, A. A.; Schuessler, H. A.
2017-01-01
We studied the nonlinear parametric interaction of femtosecond fractionally-charged optical vortices in a Raman-active medium. Propagation of such beams was described using the Kirchhoff-Fresnel integrals by embedding a non-integer 2π phase step in a Gaussian beam profile. When using fractionally-charged pump or Stokes beams, we observed the production of new topological charge and phase discontinuities in the Raman field. These newly generated fractionally-charged Raman vortex beams were found to follow the same orbital angular momentum algebra derived by Strohaber et al (2012 Opt. Lett. 37 3411) for integer vortex beams.
Nonlinear magnetic field transport in opening switch plasmas
Mason, R.J. ); Auer, P.L.; Sudan, R.N.; Oliver, B.V.; Seyler, C.E.; Greenly, J.B. )
1993-04-01
The nonlinear transport of magnetic field in collisionless plasmas, as present in the plasma opening switch (POS), using the implicit multifluid simulation code ANTHEM [J. Comput. Phys. [bold 71], 429 (1987)] is studied. The focus is on early time behavior in the electron--magnetohydrodynamic (EMHD) limit, with the ions fixed, and the electrons streaming as a fluid under the influence of [bold v][sub [ital e
Charge transport properties of CdMnTe radiation detectors
Kim K.; Rafiel, R.; Boardman, M.; Reinhard, I.; Sarbutt, A.; Watt, G.; Watt, C.; Uxa, S.; Prokopovich, D.A.; Belas, E.; Bolotnikov, A.E.; James, R.B.
2012-04-11
Growth, fabrication and characterization of indium-doped cadmium manganese telluride (CdMnTe)radiation detectors have been described. Alpha-particle spectroscopy measurements and time resolved current transient measurements have yielded an average charge collection efficiency approaching 100 %. Spatially resolved charge collection efficiency maps have been produced for a range of detector bias voltages. Inhomogeneities in the charge transport of the CdMnTe crystals have been associated with chains of tellurium inclusions within the detector bulk. Further, it has been shown that the role of tellurium inclusions in degrading chargecollection is reduced with increasing values of bias voltage. The electron transit time was determined from time of flight measurements. From the dependence of drift velocity on applied electric field the electron mobility was found to be n = (718 55) cm2/Vs at room temperature.
Ambipolar charge transport in microcrystalline silicon thin-film transistors
Knipp, Dietmar; Marinkovic, M.; Chan, Kah-Yoong; Gordijn, Aad; Stiebig, Helmut
2011-01-15
Hydrogenated microcrystalline silicon ({mu}c-Si:H) is a promising candidate for thin-film transistors (TFTs) in large-area electronics due to high electron and hole charge carrier mobilities. We report on ambipolar TFTs based on {mu}c-Si:H prepared by plasma-enhanced chemical vapor deposition at temperatures compatible with flexible substrates. Electrons and holes are directly injected into the {mu}c-Si:H channel via chromium drain and source contacts. The TFTs exhibit electron and hole charge carrier mobilities of 30-50 cm{sup 2}/V s and 10-15 cm{sup 2}/V s, respectively. In this work, the electrical characteristics of the ambipolar {mu}c-Si:H TFTs are described by a simple analytical model that takes the ambipolar charge transport into account. The analytical expressions are used to model the transfer curves, the potential and the net surface charge along the channel of the TFTs. The electrical model provides insights into the electronic transport of ambipolar {mu}c-Si:H TFTs.
Anomalous charge transport in CeB{sub 6}
Ignatov, M.I. . E-mail: ignatov@lt.gpi.ru; Bogach, A.V.; Demishev, S.V.; Glushkov, V.V.; Levchenko, A.V.; Paderno, Yu.B.; Shitsevalova, N.Yu.; Sluchanko, N.E.
2006-09-15
The comprehensive study of conductivity {sigma}, Hall coefficient R{sub H} and Seebeck coefficient S has been carried out on high-quality single crystals of CeB{sub 6} in a wide range of temperatures 1.8-300K. An anomalous behavior of all transport characteristics ({sigma}, R{sub H}, S) was found for the first time in the vicinity of T*{approx}80K. The strong decrease of conductivity {sigma} as well as the unusual asymptotic behavior of Seebeck coefficient S(T){approx}-lnT observed below T* allowed us to conclude in favor of crossover between different regimes of charge transport in CeB{sub 6}. The pronounced change of Hall mobility {mu}{sub H}, which diminishes from the maximum value of 20cm{sup 2}/(Vs) at T* to the values of {approx}6cm{sup 2}/(Vs) at T{approx}10K, seems to be attributed to the strong enhancement of charge carriers scattering due to fast spin fluctuations on Ce-sites. The low-temperature anomalies of the charge transport characteristics are compared with the predictions of the Kondo-lattice model.
Charge transport through molecular rods with reduced pi-conjugation.
Lörtscher, Emanuel; Elbing, Mark; Tschudy, Meinrad; von Hänisch, Carsten; Weber, Heiko B; Mayor, Marcel; Riel, Heike
2008-10-24
A series of oligophenylene rods of increasing lengths is synthesized to investigate the charge-transport mechanisms. Methyl groups are attached to the phenyl rings to weaken the electronic overlap of the pi-subsystems along the molecular backbones. Out-of-plane rotation of the phenyl rings is confirmed in the solid state by means of X-ray analysis and in solution by using UV/Vis spectroscopy. The influence of the reduced pi-conjugation on the resonant charge transport is studied at the single-molecule level by using the mechanically controllable break-junction technique. Experiments are performed under ultra-high-vacuum conditions at low temperature (50 K). A linear increase of the conductance gap with increasing number of phenyl rings (from 260 meV for one ring to 580 meV for four rings) is revealed. In addition, the absolute conductance of the first resonant peaks does not depend on the length of the molecular wire. Resonant transport through the first molecular orbital is found to be dominated by charge-carrier injection into the molecule, rather than by the intrinsic resistance of the molecular wire length.
Raman scattering studies and charge transport in polyfluorenes
NASA Astrophysics Data System (ADS)
Arif, Mohammad Ali Iftekhar
Organic semiconductors, such as short-chain oligomers and long-chain polymers, are now a core constituent in numerous organic and organic-inorganic hybrid technologies. Blue-emitting polyfluorenes (PFs) have emerged as especially attractive pi conjugated polymers (CP) due to their high luminescence efficiency and excellent electronic properties and thus great prospects for device applications. The performance of devices based on these polymers depends on side chain conformations, overall crystalline structure, and charge transport processes at the microscopic level. This project entails detailed Raman scattering studies and charge transport properties of two side chain substituted PFs: Poly(2,7-[9,9'-bis(2-ethylhexyl)] fluorene) (PF2/6) and Poly(9,9-(di-n,n-octyl) fluorene) (PF8). The structural properties of PFs are extremely sensitive to the choice of functionalizing side chains. PF8 adopts metastable structures that depend upon the thermal history and choice of solvents used in film forming conditions. Raman scattering techniques as a function of thermal cycling are used to monitor the changes in the backbone and side chain morphology of PF8. These studies establish a correlation between the conformational isomers and the side and main chain morphology. Theoretical modeling of the vibrational spectra of single chain oligomers in conjunction with the experimental results demonstrate the incompatibility of the beta phase, a low energy emitting chromophore, with the overall crystalline phase in PF8. Further, electroluminescence and photoluminescence measurements from PF-based light-emitting diodes (LEDs) are presented and discussed in terms of the crystalline phases and chain morphologies in the PFs. Charge carrier injection and transport properties of PF-based LEDs are presented using current-voltage (I--V) characteristic which is modeled by a space-charge-limited conduction (SCLC) for discrete and continuous traps. PF2/6 with a high level of molecular disorder is
NASA Astrophysics Data System (ADS)
Sugiura, Shiori; Shimada, Kazuo; Tajima, Naoya; Nishio, Yutaka; Terashima, Taichi; Isono, Takayuki; Kobayashi, Akiko; Zhou, Biao; Kato, Reizo; Uji, Shinya
2016-06-01
Resistance and dielectric constants have been measured in the antiferromagnetic insulating phase of the quasi-two-dimensional organic conductor λ-(BETS)2FeCl4 to understand charge transport. Nonlinear current-voltage characteristics are observed at low temperatures, which are explained by a charge transport model based on the electric-field dependent Coulomb potential between the thermally excited electron and hole. A small dip in the magnetic field dependence of the resistance is found at 1.2 T, which is ascribed to a spin-flop transition. The large difference between the in-plane and out-of-plane dielectric constants shows the two-dimensionality of the Coulomb potential, which is consistent with the charge transport model. The angular dependence of the metal-insulator transition field is determined, which suggests that the Zeeman effect of the 3d spins of the Fe ions plays an essential role.
An acoustic charge transport imager for high definition television applications
NASA Technical Reports Server (NTRS)
Hunt, W. D.; Brennan, K. F.; Summers, C. J.
1994-01-01
The primary goal of this research is to develop a solid-state television (HDTV) imager chip operating at a frame rate of about 170 frames/sec at 2 Megapixels/frame. This imager will offer an order of magnitude improvements in speed over CCD designs and will allow for monolithic imagers operating from the IR to UV. The technical approach of the project focuses on the development of the three basic components of the imager and their subsequent integration. The camera chip can be divided into three distinct functions: (1) image capture via an array of avalanche photodiodes (APD's); (2) charge collection, storage, and overflow control via a charge transfer transistor device (CTD); and (3) charge readout via an array of acoustic charge transport (ACT) channels. The use of APD's allows for front end gain at low noise and low operating voltages while the ACT readout enables concomitant high speed and high charge transfer efficiency. Currently work is progressing towards the optimization of each of these component devices. In addition to the development of each of the three distinct components, work towards their integration and manufacturability is also progressing. The component designs are considered not only to meet individual specifications but to provide overall system level performance suitable for HDTV operation upon integration. The ultimate manufacturability and reliability of the chip constrains the design as well. The progress made during this period is described in detail.
An acoustic charge transport imager for high definition television applications
NASA Technical Reports Server (NTRS)
Hunt, W. D.; Brennan, Kevin F.
1994-01-01
The primary goal of this research is to develop a solid-state high definition television (HDTV) imager chip operating at a frame rate of about 170 frames/sec at 2 Megapixels per frame. This imager offers an order of magnitude improvement in speed over CCD designs and will allow for monolithic imagers operating from the IR to the UV. The technical approach of the project focuses on the development of the three basic components of the imager and their integration. The imager chip can be divided into three distinct components: (1) image capture via an array of avalanche photodiodes (APD's), (2) charge collection, storage and overflow control via a charge transfer transistor device (CTD), and (3) charge readout via an array of acoustic charge transport (ACT) channels. The use of APD's allows for front end gain at low noise and low operating voltages while the ACT readout enables concomitant high speed and high charge transfer efficiency. Currently work is progressing towards the development of manufacturable designs for each of these component devices. In addition to the development of each of the three distinct components, work towards their integration is also progressing. The component designs are considered not only to meet individual specifications but to provide overall system level performance suitable for HDTV operation upon integration. The ultimate manufacturability and reliability of the chip constrains the design as well. The progress made during this period is described in detail in Sections 2-4.
Modelling hillslope evolution: linear and nonlinear transport relations
NASA Astrophysics Data System (ADS)
Martin, Yvonne
2000-08-01
Many recent models of landscape evolution have used a diffusion relation to simulate hillslope transport. In this study, a linear diffusion equation for slow, quasi-continuous mass movement (e.g., creep), which is based on a large data compilation, is adopted in the hillslope model. Transport relations for rapid, episodic mass movements are based on an extensive data set covering a 40-yr period from the Queen Charlotte Islands, British Columbia. A hyperbolic tangent relation, in which transport increases nonlinearly with gradient above some threshold gradient, provided the best fit to the data. Model runs were undertaken for typical hillslope profiles found in small drainage basins in the Queen Charlotte Islands. Results, based on linear diffusivity values defined in the present study, are compared to results based on diffusivities used in earlier studies. Linear diffusivities, adopted in several earlier studies, generally did not provide adequate approximations of hillslope evolution. The nonlinear transport relation was tested and found to provide acceptable simulations of hillslope evolution. Weathering is introduced into the final set of model runs. The incorporation of weathering into the model decreases the rate of hillslope change when theoretical rates of sediment transport exceed sediment supply. The incorporation of weathering into the model is essential to ensuring that transport rates at high gradients obtained in the model reasonably replicate conditions observed in real landscapes. An outline of landscape progression is proposed based on model results. Hillslope change initially occurs at a rapid rate following events that result in oversteepened gradients (e.g., tectonic forcing, glaciation, fluvial undercutting). Steep gradients are eventually eliminated and hillslope transport is reduced significantly.
Aggregate-mediated charge transport in ionomeric electrolytes
NASA Astrophysics Data System (ADS)
Lu, Keran; Maranas, Janna; Milner, Scott
Polymers such PEO can conduct ions, and have been studied as possible replacements for organic liquid electrolytes in rechargeable metal-ion batteries. More generally, fast room-temperature ionic conduction has been reported for a variety of materials, from liquids to crystalline solids. Unfortunately, polymer electrolytes generally have limited conductivity; these polymers are too viscous to have fast ion diffusion like liquids, and too unstructured to promote cooperative transport like crystalline solids. Ionomers are polymer electrolytes in which ionic groups are covalently bound to the polymer backbone, neutralized by free counterions. These materials also conduct ions, and can exhibit strong ionic aggregation. Using coarse-grained molecular dynamics, we explore the forces driving ionic aggregation, and describe the role ion aggregates have in mediating charge transport. The aggregates are string-like such that ions typically have two neighbors. We find ion aggregates self-assemble like worm-like micelles. Excess charge, or free ions, occasionally coordinate with aggregates and are transported along the chain in a Grotthuss-like mechanism. We propose that controlling ionomer aggregate structure through materials design can enhance cooperative ion transport.
Space-Charge Transport Limits in Periodic Channels
Lund, S M; Chawla, S R
2005-05-16
It has been empirically observed in both experiments and particle-in-cell simulations that space-charge-dominated beams suffer strong emittance growth and particle losses in alternating gradient quadrupole transport channels when the undepressed phase advance {sigma}{sub 0} increases beyond about 85{sup o} per lattice period. Although this criteria has been used extensively in practical designs of intense beam transport lattices, no theory exists that explains the limit. We propose a mechanism for the transport limit resulting from classes of halo particle resonances near the core of the beam that allow near-edge particles to rapidly increase in oscillation amplitude when the space-charge intensity and the flutter of the matched beam envelope are both sufficiently large. Due to a finite beam edge and/or perturbations, this mechanism can result in dramatic halo-driven increases in statistical beam phase space area, lost particles, and degraded transport. A core-particle model for a uniform density elliptical beam in a periodic focusing lattice is applied to parametrically analyze this process.
Electromagnetic radiation from linearly and nonlinearly oscillating charge drops
NASA Astrophysics Data System (ADS)
Grigor'ev, A. I.; Shiryaeva, S. O.
2016-12-01
It has been shown that analytic calculations of the intensity of electromagnetic radiation from an oscillating charged drop in the approximation linear in the oscillation amplitude (small parameter is on the order of 0.1) give only the quadrupole component of the total radiation. The dipole component can only be obtained in calculations using higher-order approximations. Nevertheless, the intensity of the dipole radiation turns out to be substantially higher (by 14-15 orders of magnitude). This is because the decomposition of radiation from a system of charges into multipole components (differing even in the rates of decrease in the potential with the distance) is carried out using the expansion in a substantially smaller parameter, viz., the ratio of the size of the emitting system (in our case, a drop of radius 10 μm) to the distance to the point of observation in the wave zone of the emission of radiation (emitted wavelength) of 100-1000 m. As a result, this second small parameter is on the order of 10-7 to 10-8. On the other hand, in accordance with the field theory, the ratio of intensities of quadrupole and dipole radiations is proportional to the squared ratio of the hydrodynamic velocity of the oscillating surface of a charged drop to the velocity of propagation of an electromagnetic signal in vacuum (velocity of light), which yields a ratio of 10-14 to 10-15.
Charge Transport and Glassy Dynamics in Ionic Liquids
Sangoro, Joshua R; Kremer, Friedrich
2012-01-01
Ionic liquids (ILs) exhibit unique features such as low melting points, low vapor pressures, wide liquidus temperature ranges, high thermal stability, high ionic conductivity, and wide electrochemical windows. As a result, they show promise for use in variety of applications: as reaction media, in batteries and supercapacitors, in solar and fuel cells, for electrochemical deposition of metals and semiconductors, for protein extraction and crystallization, and many others. Because of the ease with which they can be supercooled, ionic liquids offer new opportunities to investigate long-standing questions regarding the nature of the dynamic glass transition and its possible link to charge transport. Despite the significant steps achieved from experimental and theoretical studies, no generally accepted quantitative theory of dynamic glass transition to date has been capable of reproducing all the experimentally observed features. In this Account, we discuss recent studies of the interplay between charge transport and glassy dynamics in ionic liquids as investigated by a combination of several experimental techniques including broadband dielectric spectroscopy, pulsed field gradient nuclear magnetic resonance, dynamic mechanical spectroscopy, and differential scanning calorimetry. Based on EinsteinSmoluchowski relations, we use dielectric spectra of ionic liquids to determine diffusion coefficients in quantitative agreement with independent pulsed field gradient nuclear magnetic resonance measurements, but spanning a broader range of more than 10 orders of magnitude. This approach provides a novel opportunity to determine the electrical mobility and effective number density of charge carriers as well as their types of thermal activation from the measured dc conductivity separately. We also unravel the origin of the remarkable universality of charge transport in different classes of glass-forming ionic liquids.
Normal and impaired charge transport in biological systems
NASA Astrophysics Data System (ADS)
Miller, John H.; Villagrán, Martha Y. Suárez; Maric, Sladjana; Briggs, James M.
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.
Charge transport in dye-sensitized solar cell
NASA Astrophysics Data System (ADS)
Yanagida, Masatoshi
2015-03-01
The effect of charge transport on the photovoltaic properties of dye-sensitized solar cells (DSCs) was investigated by the experimental results and the ion transport. The short current photocurrent density (Jsc) is determined by the electron transport in porous TiO2 when the diffusion limited current (Jdif) due to the {{I}3}- transport is larger than the photo-generated electron flux (Jg) estimated from the light harvesting efficiency of dye-sensitized porous TiO2 and the solar spectrum. However, the Jsc value is determined by the ion transport in the electrolyte solution at Jdif < Jg. The J value becomes constant against light intensity, and is expressed as the saturated current (Jscs). The {{J}s} value depends on the thickness (d) of the TiO2 layer, the initial concentration (COX0), and the diffusion coefficient (DOXb) of {{I}3}-. These suitable parameters were determined by using the ion transport. Invited talk at the 7th International Workshop on Advanced Materials Science and Nanotechnology IWAMSN2014, 2-6 November, 2014, Ha Long, Vietnam.
19 CFR 351.515 - Internal transport and freight charges for export shipments.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 19 Customs Duties 3 2010-04-01 2010-04-01 false Internal transport and freight charges for export... Internal transport and freight charges for export shipments. (a) Benefit—(1) In general. In the case of internal transport and freight charges on export shipments, a benefit exists to the extent that the...
Nonlinear closure relations theory for transport processes in nonequilibrium systems.
Sonnino, Giorgio
2009-05-01
A decade ago, a macroscopic theory for closure relations has been proposed for systems out of Onsager's region. This theory is referred to as the thermodynamic field theory (TFT). The aim of this work was to determine the nonlinear flux-force relations that respect the thermodynamic theorems for systems far from equilibrium. We propose a formulation of the TFT where one of the basic restrictions, namely, the closed-form solution for the skew-symmetric piece of the transport coefficients, has been removed. In addition, the general covariance principle is replaced by the De Donder-Prigogine thermodynamic covariance principle (TCP). The introduction of TCP requires the application of an appropriate mathematical formalism, which is referred to as the entropy-covariant formalism. By geometrical arguments, we prove the validity of the Glansdorff-Prigogine universal criterion of evolution. A new set of closure equations determining the nonlinear corrections to the linear ("Onsager") transport coefficients is also derived. The geometry of the thermodynamic space is non-Riemannian. However, it tends to be Riemannian for high values of the entropy production. In this limit, we recover the transport equations found by the old theory. Applications of our approach to transport in magnetically confined plasmas, materials submitted to temperature, and electric potential gradients or to unimolecular triangular chemical reactions can be found at references cited herein. Transport processes in tokamak plasmas are of particular interest. In this case, even in the absence of turbulence, the state of the plasma remains close to (but, it is not in) a state of local equilibrium. This prevents the transport relations from being linear.
Organic Semiconductors: A Molecular Picture of the Charge-Transport and Energy-Transport Processes.
NASA Astrophysics Data System (ADS)
Brédas, Jean-Luc
2007-03-01
Conjugated organic oligomer and polymer materials are being increasingly considered for their incorporation as the active semiconductor elements in devices such as photo-voltaic cells, light-emitting diodes, or field-effects transistors. In the operation of these devices, electron-transfer and energy-transfer processes play a key role, for instance in the form of charge transport (in the bulk or across interfaces), energy transport, charge separation, or charge recombination [1]. Here, we provide a theoretical description of electron-transfer phenomena based on electron-transfer theory, which allows us to provide a molecular, chemically-oriented understanding. In this presentation, we focus on the parameters that impact the mobility of charge carriers [2], that is the electronic coupling within chains and between adjacent chains and the reorganization energy of the chains upon ionization. Materials under study include conjugated oligomers such as oligoacenes, oligothiophene-acenes, oligothiophenes, and oligothienacenes. [1] J.L. Br'edas, D. Beljonne, V. Coropceanu, and J. Cornil, ``Charge-Transfer and Energy-Transfer Processes in pi-Conjugated Oligomers and Polymers'', Chemical Reviews, 104, 4971-5004 (2004). [2] V. Coropceanu, J. Cornil, D.A. da Silva Filho, Y. Olivier, R. Silbey, and J.L. Br'edas, ``Charge Transport in Organic Semiconductors'', Chemical Reviews, 107, xxx (2007).
Nonlinear longitudinal space charge oscillations in relativistic electron beams.
Musumeci, P; Li, R K; Marinelli, A
2011-05-06
In this Letter we study the evolution of an initial periodic modulation in the temporal profile of a relativistic electron beam under the effect of longitudinal space-charge forces. Linear theory predicts a periodic exchange of the modulation between the density and the energy profiles at the beam plasma frequency. For large enough initial modulations, wave breaking occurs after 1/2 period of plasma oscillation leading to the formation of short current spikes. We confirm this effect by direct measurements on a ps-modulated electron beam from an rf photoinjector. These results are useful for the generation of intense electron pulse trains for advanced accelerator applications.
Nonlinear Longitudinal Space Charge Oscillations in Relativistic Electron Beams
Musumeci, P.; Li, R. K.; Marinelli, A.
2011-05-06
In this Letter we study the evolution of an initial periodic modulation in the temporal profile of a relativistic electron beam under the effect of longitudinal space-charge forces. Linear theory predicts a periodic exchange of the modulation between the density and the energy profiles at the beam plasma frequency. For large enough initial modulations, wave breaking occurs after 1/2 period of plasma oscillation leading to the formation of short current spikes. We confirm this effect by direct measurements on a ps-modulated electron beam from an rf photoinjector. These results are useful for the generation of intense electron pulse trains for advanced accelerator applications.
Charge Transport in Hybrid Halide Perovskite Field-Effect Transistors
NASA Astrophysics Data System (ADS)
Jurchescu, Oana
Hybrid organic-inorganic trihalide perovskite (HTP) materials exhibit a strong optical absorption, tunable band gap, long carrier lifetimes and fast charge carrier transport. These remarkable properties, coupled with their reduced complexity processing, make the HTPs promising contenders for large scale, low-cost thin film optoelectronic applications. But in spite of the remarkable demonstrations of high performance solar cells, light-emitting diodes and field-effect transistor devices, all of which took place in a very short time period, numerous questions related to the nature and dynamics of the charge carriers and their relation to device performance, stability and reliability still remain. This presentation describes the electrical properties of HTPs evaluated from field-effect transistor measurements. The electrostatic gating of provides an unique platform for the study of intrinsic charge transport in these materials, and, at the same time, expand the use of HTPs towards switching electronic devices, which have not been explored previously. We fabricated FETs on SiO2 and polymer dielectrics from spin coating, thermal evaporation and spray deposition and compare their properties. CH3NH3PbI3-xClx can reach balanced electron and hole mobilities of 10 cm2/Vs upon tuning the thin-film microstructure, injection and the defect density at the semiconductor/dielectric interface. The work was performed in collaboration with Yaochuan Mei (Wake Forest University), Chuang Zhang, and Z. Valy Vardeny (University of Utah). The work is supported by ONR Grant N00014-15-1-2943.
Charge transport and injection in amorphous organic electronic materials
NASA Astrophysics Data System (ADS)
Tse, Shing Chi
This thesis presents how we use various measuring techniques to study the charge transport and injection in organic electronic materials. Understanding charge transport and injection properties in organic solids is of vital importance for improving performance characteristics of organic electronic devices, including organic-light-emitting diodes (OLEDs), photovoltaic cells (OPVs), and field effect transistors (OFETs). The charge transport properties of amorphous organic materials, commonly used in organic electronic devices, are investigated by the means of carrier mobility measurements. Transient electroluminescence (EL) technique was used to evaluate the electron mobility of an electron transporting material--- tris(8-hydroxyquinoline) aluminum (Alq3). The results are in excellent agreement with independent time-of-flight (TOF) measurements. Then, the effect of dopants on electron transport was also examined. TOF technique was also used to examine the effects of tertiary-butyl (t-Bu) substitutions on anthracene derivatives (ADN). All ADN compounds were found to be ambipolar. As the degree of t-Bu substitution increases, the carrier mobilities decrease progressively. The reduction of carrier mobilities with increasing t-butylation can be attributed to a decrease in the charge-transfer integral or the wavefunction overlap. In addition, from TOF measurements, two naphthylamine-based hole transporters, namely, N,N'-diphenyl-N,N'-bis(1-naphthyl)(1,1'-biphenyl)-4,4'diamine (NPB) and 4,4',4"-tris(n-(2-naphthyl)-n-phenyl-amino)-triphenylamine (2TNATA) were found to possess electron-transporting (ET) abilities. An organic light-emitting diode that employed NPB as the ET material was demonstrated. The electron conducting mechanism of NPB and 2TNATA in relation to the hopping model will be discussed. Furthermore, the ET property of NPB applied in OLEDs will also be examined. Besides transient EL and TOF techniques, we also use dark-injection space-charge-limited current
Nonlinear magnetic field transport in opening switch plasmas
NASA Astrophysics Data System (ADS)
Mason, R. J.; Auer, P. L.; Sudan, R. N.; Oliver, B. V.; Seyler, C. E.; Greenly, J. B.
1993-04-01
The nonlinear transport of magnetic field in collisionless plasmas, as present in the plasma opening switch (POS), using the implicit multifluid simulation code anthem [J. Comput. Phys. 71, 429 (1987)] is studied. The focus is on early time behavior in the electron-magnetohydrodynamic (EMHD) limit, with the ions fixed, and the electrons streaming as a fluid under the influence of ve×B Hall forces. Through simulation, magnetic penetration and magnetic exclusion waves are characterized, due to the Hall effect in the presence of transverse density gradients, and the interaction of these Hall waves with nonlinear diffusive disturbances from electron velocity advection, (veṡ∇)ve, is studied. It is shown how these mechanisms give rise to the anode magnetic insulation layer, central diffusion, and cathode potential hill structures seen in earlier opening switch plasmas studies.
Symposium GC: Nanoscale Charge Transport in Excitonic Solar Cells
Bommisetty, Venkat
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.
Nonlinear Transport and Noise Properties of Acoustic Phonons
NASA Astrophysics Data System (ADS)
Walczak, Kamil
We examine heat transport carried by acoustic phonons in molecular junctions composed of organic molecules coupled to two thermal baths of different temperatures. The phononic heat flux and its dynamical noise properties are analyzed within the scattering (Landauer) formalism with transmission probability function for acoustic phonons calculated within the method of atomistic Green's functions (AGF technique). The perturbative computational scheme is used to determine nonlinear corrections to phononic heat flux and its noise power spectral density with up to the second order terms with respect to temperature difference. Our results show the limited applicability of ballistic Fourier's law and fluctuation-dissipation theorem to heat transport in quantum systems. We also derive several noise-signal relations applicable to nanoscale heat flow carried by phonons, but valid for electrons as well. We also discuss the extension of the perturbative transport theory to higher order terms in order to address a huge variety of problems related to nonlinear thermal effects which may occur at nanoscale and at strongly non-equilibrium conditions with high-intensity heat fluxes. This work was supported by Pace University Start-up Grant.
Kinetic theory of nonlinear transport phenomena in complex plasmas
Mishra, S. K.; Sodha, M. S.
2013-03-15
In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.
Ion transport through macrocapillaries - Oscillations due to charge patch formation
NASA Astrophysics Data System (ADS)
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.
Threshold for Transportation Charge Review Cost Benefit Analysis
1990-07-01
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Dust charging and transport on airless planetary bodies
NASA Astrophysics Data System (ADS)
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.
Photoinduced charge-transfer materials for nonlinear optical applications
McBranch, Duncan W.
2006-10-24
A method using polyelectrolyte self-assembly for preparing multi-layered organic molecular materials having individual layers which exhibit ultrafast electron and/or energy transfer in a controlled direction occurring over the entire structure. Using a high molecular weight, water-soluble, anionic form of poly-phenylene vinylene, self-assembled films can be formed which show high photoluminescence quantum efficiency (QE). The highest emission QE is achieved using poly(propylene-imine) (PPI) dendrimers as cationic binders. Self-quenching of the luminescence is observed as the solid polymer film thickness is increased and can be reversed by inserting additional spacer layers of transparent polyelectrolytes between each active conjugated layer, such that the QE grows with thickness. A red shift of the luminescence is also observed as additional PPV layers are added. This effect persists as self-quenching is eliminated. Charge transfer superlattices can be formed by additionally incorporating C.sub.60 acceptor layers.
Charge and Spin Transport in Dilute Magnetic Semiconductors
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.
Thermodynamic Bounds on Nonlinear Electrostatic Perturbations in Intense Charged Particle Beams
Nikolas C. Logan and Ronald C. Davidson
2012-07-18
This paper places a lowest upper bound on the field energy in electrostatic perturbations in single-species charged particle beams with initial temperature anisotropy (TllT⊥ < 1). The result applies to all electrostatic perturbations driven by the natural anisotropies that develop in accelerated particle beams, including Harris-type electrostatic instabilities, known to limit the luminosity and minimum spot size attainable in experiments. The thermodynamic bound on the field perturbation energy of the instabilities is obtained from the nonlinear Vlasov-Poisson equations for an arbitrary initial distribution function, including the effects of intense self-fields, finite geometry and nonlinear processes. This paper also includes analytical estimates of the nonlinear bounds for space-charge-dominated and emittance-dominated anisotropic bi-Maxwellian distributions.
Stable All-Organic Radicals with Ambipolar Charge Transport.
Reig, Marta; Gozálvez, Cristian; Jankauskas, Vygintas; Gaidelis, Valentas; Grazulevicius, Juozas V; Fajarí, Lluís; Juliá, Luis; Velasco, Dolores
2016-12-19
A series of neutral long-lived purely organic radicals based on the stable [4-(N-carbazolyl)-2,6-dichlorophenyl]bis(2,4,6-trichlorophenyl)methyl radical adduct (Cbz-TTM) is reported herein. All compounds exhibit ambipolar charge-transport properties under ambient conditions owing to their radical character. High electron and hole mobilities up to 10(-2) and 10(-3) cm(2) V(-1) s(-1) , respectively, were achieved. Xerographic single-layered photoreceptors were fabricated from the radicals studied herein, exhibiting good xerographic photosensitivity across the visible spectrum.
Acoustic charge transport technology investigation for advanced development transponder
NASA Technical Reports Server (NTRS)
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.
Charge transport in nanoscale vertical organic semiconductor pillar devices
Wilbers, Janine G. E.; Xu, Bojian; Bobbert, Peter A.; de Jong, Michel P.; van der Wiel, Wilfred G.
2017-01-01
We report charge transport measurements in nanoscale vertical pillar structures incorporating ultrathin layers of the organic semiconductor poly(3-hexylthiophene) (P3HT). P3HT layers with thickness down to 5 nm are gently top-contacted using wedging transfer, yielding highly reproducible, robust nanoscale junctions carrying high current densities (up to 106 A/m2). Current-voltage data modeling demonstrates excellent hole injection. This work opens up the pathway towards nanoscale, ultrashort-channel organic transistors for high-frequency and high-current-density operation. PMID:28117371
Charge transport studies of proton and ion conducting materials
NASA Astrophysics Data System (ADS)
Versek, Craig Wm
The development of a high-throughput impedance spectroscopy instrumentation platform for conductivity characterization of ion transport materials is outlined. Collaborative studies using this system are summarized. Charge conduction mechanisms and conductivity data for small molecule proton conducting liquids, pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, and select mixtures of these compounds are documented. Furthermore, proton diffusivity measurements using a Pulse Field Gradient Nuclear Magnetic Resonance (PFG NMR) technique for imidazole and 1,2,3-triazole binary mixtures are compared. Studies of azole functionalized discotic and linear mesogens with conductivity, structural, and thermal characterizations are detailed.
Nonlinear transport in ionic liquid gated strontium titanate nanowires
Bretz-Sullivan, Terence M.; Goldman, A. M.
2015-09-14
Measurements of the current-voltage (I–V) characteristics of ionic liquid gated nanometer scale channels of strontium titanate have been carried out. At low gate voltages, the I–V characteristics exhibit a large voltage threshold for conduction and a nonlinear power law behavior at all temperatures measured. The source-drain current of these nanowires scales as a power law of the difference between the source-drain voltage and the threshold voltage. The scaling behavior of the I–V characteristic is reminiscent of collective electronic transport through an array of quantum dots. At large gate voltages, the narrow channel acts as a quasi-1D wire whose conductance follows Landauer's formula for multichannel transport.
Xiao, Li; Wang, Changhao; Ye, Xiang; Luo, Ray
2016-08-25
Continuum solvation modeling based upon the Poisson-Boltzmann equation (PBE) is widely used in structural and functional analysis of biomolecules. In this work, we propose a charge-central interpretation of the full nonlinear PBE electrostatic interactions. The validity of the charge-central view or simply charge view, as formulated as a vacuum Poisson equation with effective charges, was first demonstrated by reproducing both electrostatic potentials and energies from the original solvated full nonlinear PBE. There are at least two benefits when the charge-central framework is applied. First the convergence analyses show that the use of polarization charges allows a much faster converging numerical procedure for electrostatic energy and forces calculation for the full nonlinear PBE. Second, the formulation of the solvated electrostatic interactions as effective charges in vacuum allows scalable algorithms to be deployed for large biomolecular systems. Here, we exploited the charge-view interpretation and developed a particle-particle particle-mesh (P3M) strategy for the full nonlinear PBE systems. We also studied the accuracy and convergence of solvation forces with the charge-view and the P3M methods. It is interesting to note that the convergence of both the charge-view and the P3M methods is more rapid than the original full nonlinear PBE method. Given the developments and validations documented here, we are working to adapt the P3M treatment of the full nonlinear PBE model to molecular dynamics simulations.
NASA Astrophysics Data System (ADS)
Tu, Xiuwen
2008-10-01
Several novel phenomena at the single-atom and single-molecule level occurring on the surfaces of single crystals were studied with home-built low temperature scanning tunneling microscopes. The results revealed intriguing properties of single atoms and single molecules, including nonlinearity, resonance, charging, and motion. First, negative differential resistance (NDR) was observed in the dI/dV spectra for single copper-phthalocyanine (CuPc) molecules adsorbed on one- and two-layer sodium bromide (NaBr), but not for single CuPc molecules adsorbed on three-layer NaBr, all grown on a NiAl(110) surface. This transition from NDR to the absence of NDR was explained as the result of competing effects in the double-barrier tunnel junction (DBTJ) and was reproduced in a calculation based on a resonant-tunneling model. Second, the nonlinearity of the STM junction due to a single manganese (Mn) atom or MnCO molecule adsorbed on a NiAl(110) surface was used to rectify microwave irradiation. The resulting rectification current was shown to be sensitive to the spin-splitting of the electronic states of the Mn atom and to the vibrations of the MnCO molecule. Next, the ordering of cesium (Cs) atoms adsorbed on a Au(111) surface and a NiAl(110) surface was imaged in real space. Because of charge transfer to the substrates, Cs adatoms were positively charged on both surfaces. Even at 12 K, Cs adatoms were able to move and adjust according to coverage. On Au(111), the Cs first layer had a quasi-hexagonal lattice and islands of the second Cs layer did not appear until the first was completed. On NiAl(110), a locally disordered Cs first layer was observed before a locally ordered layer appeared at higher coverages. The cation-pi interactions were then studied at the single molecular level. We were able to form cation-pi complexes such as Cs···DSB, Cs···DSB···Cs, Rb···DSB, and Rb···ZnEtiol controllably by manipulation with the STM tip. We could also separate these
Quantum charge transport and conformational dynamics of macromolecules.
Boninsegna, L; Faccioli, P
2012-06-07
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion which simultaneously describe the molecular and quantum transport dynamics, and obey the fluctuation/dissipation relationship. We also introduce an algorithm which yields the most probable molecular and quantum transport pathways in rare, thermally activated reactions. In the second part of the paper, we apply this formalism to simulate the propagation of a quantum charge during the collapse of a polymer from an initial stretched conformation to a final globular state. We find that the charge dynamics is quenched when the chain reaches a molten globule state. Using random matrix theory we show that this transition is due to an increase of quantum localization driven by dynamical disorder. We argue that collapsing conducting polymers may represent a physical realization of quantum small-world networks with dynamical rewiring probability.
Thermally activated charge transport in microbial protein nanowires
NASA Astrophysics Data System (ADS)
Lampa-Pastirk, Sanela; Veazey, Joshua P.; Walsh, Kathleen A.; Feliciano, Gustavo T.; Steidl, Rebecca J.; Tessmer, Stuart H.; Reguera, Gemma
2016-03-01
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.
Thermally activated charge transport in microbial protein nanowires.
Lampa-Pastirk, Sanela; Veazey, Joshua P; Walsh, Kathleen A; Feliciano, Gustavo T; Steidl, Rebecca J; Tessmer, Stuart H; Reguera, Gemma
2016-03-24
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.
Controlling polymer translocation and ion transport via charge correlations.
Buyukdagli, Sahin; Ala-Nissila, T
2014-11-04
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.
Thermally activated charge transport in microbial protein nanowires
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
DNA-mediated charge transport for DNA repair
Boon, Elizabeth M.; Livingston, Alison L.; Chmiel, Nikolas H.; David, Sheila S.; Barton, Jacqueline K.
2003-01-01
MutY, like many DNA base excision repair enzymes, contains a [4Fe4S]2+ cluster of undetermined function. Electrochemical studies of MutY bound to a DNA-modified gold electrode demonstrate that the [4Fe4S] cluster of MutY can be accessed in a DNA-mediated redox reaction. Although not detectable without DNA, the redox potential of DNA-bound MutY is ≈275 mV versus NHE, which is characteristic of HiPiP iron proteins. Binding to DNA is thus associated with a change in [4Fe4S]3+/2+ potential, activating the cluster toward oxidation. Given that DNA charge transport chemistry is exquisitely sensitive to perturbations in base pair structure, such as mismatches, we propose that this redox process of MutY bound to DNA exploits DNA charge transport and provides a DNA signaling mechanism to scan for mismatches and lesions in vivo. PMID:14559969
Light-Induced Charge Transport within a Single Asymmetric Nanowire
Liu, Chong; Hwang, Yun Yeong; Jeong, Hoon Eui; 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.
Nonlinear hopping transport in ring systems and open channels.
Einax, Mario; Körner, Martin; Maass, Philipp; Nitzan, Abraham
2010-01-21
We study the nonlinear hopping transport in one-dimensional rings and open channels. Analytical results are derived for the stationary current response to a constant bias without assuming any specific coupling of the rates to the external fields. It is shown that anomalous large effective jump lengths, as observed in recent experiments by taking the ratio of the third-order nonlinear and the linear conductivity, can occur already in ordered systems. Rectification effects due to site energy disorder in ring systems are expected to become irrelevant for large system sizes. In open channels, in contrast, rectification effects occur already for disorder in the jump barriers and do not vanish in the thermodynamic limit. Numerical solutions for a sinusoidal bias show that the ring system provides a good description for the transport behavior in the open channel for intermediate and high frequencies. For low frequencies temporal variations in the mean particle number have to be taken into account in the open channel, which cannot be captured in the more simple ring model.
Simulating charge transport to understand the spectral response of Swept Charge Devices
NASA Astrophysics Data System (ADS)
Athiray, P. S.; Sreekumar, P.; Narendranath, S.; Gow, J. P. D.
2015-11-01
Context. Swept Charge Devices (SCD) are novel X-ray detectors optimized for improved spectral performance without any demand for active cooling. The Chandrayaan-1 X-ray Spectrometer (C1XS) experiment onboard the Chandrayaan-1 spacecraft used an array of SCDs to map the global surface elemental abundances on the Moon using the X-ray fluorescence (XRF) technique. The successful demonstration of SCDs in C1XS spurred an enhanced version of the spectrometer on Chandrayaan-2 using the next-generation SCD sensors. Aims: The objective of this paper is to demonstrate validation of a physical model developed to simulate X-ray photon interaction and charge transportation in a SCD. The model helps to understand and identify the origin of individual components that collectively contribute to the energy-dependent spectral response of the SCD. Furthermore, the model provides completeness to various calibration tasks, such as generating spectral matrices (RMFs - redistribution matrix files), estimating efficiency, optimizing event selection logic, and maximizing event recovery to improve photon-collection efficiency in SCDs. Methods: Charge generation and transportation in the SCD at different layers related to channel stops, field zones, and field-free zones due to photon interaction were computed using standard drift and diffusion equations. Charge collected in the buried channel due to photon interaction in different volumes of the detector was computed by assuming a Gaussian radial profile of the charge cloud. The collected charge was processed further to simulate both diagonal clocking read-out, which is a novel design exclusive for SCDs, and event selection logic to construct the energy spectrum. Results: We compare simulation results of the SCD CCD54 with measurements obtained during the ground calibration of C1XS and clearly demonstrate that our model reproduces all the major spectral features seen in calibration data. We also describe our understanding of interactions at
Exciton transport, charge extraction, and loss mechanisms in organic photovoltaics
NASA Astrophysics Data System (ADS)
Scully, Shawn Ryan
Organic photovoltaics have attracted significant interest over the last decade due to their promise as clean low-cost alternatives to large-scale electric power generation such as coal-fired power, natural gas, and nuclear power. Many believe power conversion efficiency targets of 10-15% must be reached before commercialization is possible. Consequently, understanding the loss mechanisms which currently limit efficiencies to 4-5% is crucial to identify paths to reach higher efficiencies. In this work, we investigate the dominant loss mechanisms in some of the leading organic photovoltaic architectures. In the first class of architectures, which include planar heterojunctions and bulk heterojunctions with large domains, efficiencies are primarily limited by the distance photogenerated excitations (excitons) can be transported (termed the exciton diffusion length) to a heterojunction where the excitons may dissociate. We will discuss how to properly measure the exciton diffusion length focusing on the effects of optical interference and of energy transfer when using fullerenes as quenching layers and show how this explains the variety of diffusion lengths reported for the same material. After understanding that disorder and defects limit exciton diffusion lengths, we suggest some approaches to overcome this. We then extensively investigate the use of long-range resonant energy transfer to increase exciton harvesting. Using simulations and experiments as support, we discuss how energy transfer can be engineered into architectures to increase the distance excitons can be harvested. In an experimental model system, DOW Red/PTPTB, we will show how the distance excitons are harvested can be increased by almost an order of magnitude up to 27 nm from a heterojunction and give design rules and extensions of this concept for future architectures. After understanding exciton harvesting limitations we will look at other losses that are present in planar heterojunctions. One of
NASA Astrophysics Data System (ADS)
Eftekhari, F.; Tavassoly, M. K.
In this paper, we will present a general formalism for constructing the nonlinear charge coherent states which in special case lead to the standard charge coherent states. The suQ(1, 1) algebra as a nonlinear deformed algebra realization of the introduced states is established. In addition, the corresponding even and odd nonlinear charge coherent states have also been introduced. The formalism has the potentiality to be applied to systems either with known "nonlinearity function" f(n) or solvable quantum system with known "discrete nondegenerate spectrum" en. As some physical appearances, a few known physical systems in the two mentioned categories have been considered. Finally, since the construction of nonclassical states is a central topic of quantum optics, nonclassical features and quantum statistical properties of the introduced states have been investigated by evaluating single- and two-mode squeezing, su(1, 1)-squeezing, Mandel parameter and antibunching effect (via g-correlation function) as well as some of their generalized forms we have introduced in the present paper.
Edward A. Startsev; Ronald C. Davidson; Hong Qin
2002-05-07
In this paper, a 3-D nonlinear perturbative particle simulation code (BEST) [H. Qin, R.C. Davidson and W.W. Lee, Physical Review Special Topics on Accelerators and Beams 3 (2000) 084401] is used to systematically study the stability properties of intense nonneutral charged particle beams with large temperature anisotropy (T{sub {perpendicular}b} >> T{sub {parallel}b}). The most unstable modes are identified, and their eigen frequencies, radial mode structure, and nonlinear dynamics are determined for axisymmetric perturbations with {partial_derivative}/{partial_derivative}{theta} = 0.
Relaxation of charge in monolayer graphene: Fast nonlinear diffusion versus Coulomb effects
NASA Astrophysics Data System (ADS)
Kolomeisky, Eugene B.; Straley, Joseph P.
2017-01-01
Pristine monolayer graphene exhibits very poor screening because the density of states vanishes at the Dirac point. As a result, charge relaxation is controlled by the effects of zero-point motion (rather than by the Coulomb interaction) over a wide range of parameters. Combined with the fact that graphene possesses finite intrinsic conductivity, this leads to a regime of relaxation described by a nonlinear diffusion equation with a diffusion coefficient that diverges at zero charge density. Some consequences of this fast diffusion are self-similar superdiffusive regimes of relaxation, the development of a charge depleted region at the interface between electron- and hole-rich regions, and finite extinction times for periodic charge profiles.
An electrochemical model of the transport of charged molecules through the capillary glycocalyx.
Stace, T M; Damiano, E R
2001-01-01
An electrochemical theory of the glycocalyx surface layer on capillary endothelial cells is developed as a model to study the electrochemical dynamics of anionic molecular transport within capillaries. Combining a constitutive relationship for electrochemical transport, derived from Fick's and Ohm's laws, with the conservation of mass and Gauss's law from electrostatics, a system of three nonlinear, coupled, second-order, partial, integro-differential equations is obtained for the concentrations of the diffusing anionic molecules and the cations and anions in the blood. With the exception of small departures from electroneutrality that arise locally near the apical region of the glycocalyx, the model assumes that cations in the blood counterbalance the fixed negative charges bound to the macromolecular matrix of the glycocalyx in equilibrium. In the presence of anionic molecular tracers injected into the capillary lumen, the model predicts the size- and charge-dependent electrophoretic mobility of ions and tracers within the layer. In particular, the model predicts that anionic molecules are excluded from the glycocalyx at equilibrium and that the extent of this exclusion, which increases with increasing tracer and/or glycocalyx electronegativity, is a fundamental determinant of anionic molecular transport through the layer. The model equations were integrated numerically using a Crank-Nicolson finite-difference scheme and Newton-Raphson iteration. When the concentration of the anionic molecular tracer is small compared with the concentration of ions in the blood, a linearized version of the model can be obtained and solved as an eigenvalue problem. The results of the linear and nonlinear models were found to be in good agreement for this physiologically important case. Furthermore, if the fixed-charge density of the glycocalyx is of the order of the concentration of ions in the blood, or larger, or if the magnitude of the anionic molecular valence is large, a
An electrochemical model of the transport of charged molecules through the capillary glycocalyx.
Stace, T M; Damiano, E R
2001-04-01
An electrochemical theory of the glycocalyx surface layer on capillary endothelial cells is developed as a model to study the electrochemical dynamics of anionic molecular transport within capillaries. Combining a constitutive relationship for electrochemical transport, derived from Fick's and Ohm's laws, with the conservation of mass and Gauss's law from electrostatics, a system of three nonlinear, coupled, second-order, partial, integro-differential equations is obtained for the concentrations of the diffusing anionic molecules and the cations and anions in the blood. With the exception of small departures from electroneutrality that arise locally near the apical region of the glycocalyx, the model assumes that cations in the blood counterbalance the fixed negative charges bound to the macromolecular matrix of the glycocalyx in equilibrium. In the presence of anionic molecular tracers injected into the capillary lumen, the model predicts the size- and charge-dependent electrophoretic mobility of ions and tracers within the layer. In particular, the model predicts that anionic molecules are excluded from the glycocalyx at equilibrium and that the extent of this exclusion, which increases with increasing tracer and/or glycocalyx electronegativity, is a fundamental determinant of anionic molecular transport through the layer. The model equations were integrated numerically using a Crank-Nicolson finite-difference scheme and Newton-Raphson iteration. When the concentration of the anionic molecular tracer is small compared with the concentration of ions in the blood, a linearized version of the model can be obtained and solved as an eigenvalue problem. The results of the linear and nonlinear models were found to be in good agreement for this physiologically important case. Furthermore, if the fixed-charge density of the glycocalyx is of the order of the concentration of ions in the blood, or larger, or if the magnitude of the anionic molecular valence is large, a
Först, M.; Frano, A.; Kaiser, S.; ...
2014-11-17
In this study, we use femtosecond resonant soft x-ray diffraction to measure the optically stimulated ultrafast changes of charge density wave correlations in underdoped YBa₂Cu₃O₆.₆. We find that when coherent interlayer transport is enhanced by optical excitation of the apical oxygen distortions, at least 50% of the in-plane charge density wave order is melted. These results indicate that charge ordering and superconductivity may be competing up to the charge ordering transition temperature, with the latter becoming a hidden phase that is accessible only by nonlinear phonon excitation.
Dijkstra, Arend G. E-mail: tanimura@kuchem.kyoto-u.ac.jp; Tanimura, Yoshitaka E-mail: tanimura@kuchem.kyoto-u.ac.jp
2015-06-07
We study hole, electron, and exciton transports in a charge transfer system in the presence of underdamped vibrational motion. We analyze the signature of these processes in the linear and third-, and fifth-order nonlinear electronic spectra. Calculations are performed with a numerically exact hierarchical equations of motion method for an underdamped Brownian oscillator spectral density. We find that combining electron, hole, and exciton transfers can lead to non-trivial spectra with more structure than with excitonic coupling alone. Traces taken during the waiting time of a two-dimensional (2D) spectrum are dominated by vibrational motion and do not reflect the electron, hole, and exciton dynamics directly. We find that the fifth-order nonlinear response is particularly sensitive to the charge transfer process. While third-order 2D spectroscopy detects the correlation between two coherences, fifth-order 2D spectroscopy (2D population spectroscopy) is here designed to detect correlations between the excited states during two different time periods.
Tuning The Optical, Charge Injection, and Charge Transport Properties of Organic Electronic Devices
NASA Astrophysics Data System (ADS)
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
Magnetically charged regular black hole in a model of nonlinear electrodynamics
Ma, Meng-Sen
2015-11-15
We obtain a magnetically charged regular black hole in general relativity. The source to the Einstein field equations is nonlinear electrodynamic field in a physically reasonable model of nonlinear electrodynamics (NED). “Physically” here means the NED model is constructed on the basis of three conditions: the Maxwell asymptotic in the weak electromagnetic field limit; the presence of vacuum birefringence phenomenon; and satisfying the weak energy condition (WEC). In addition, we analyze the thermodynamic properties of the regular black hole in two ways. According to the usual black hole thermodynamics, we calculate the heat capacity at constant charge, from which we know the smaller black hole is more stable. We also employ the horizon thermodynamics to discuss the thermodynamic quantities, especially the heat capacity at constant pressure.
Charge transport in hybrid nanorod-polymer composite photovoltaiccells
Huynh, Wendy U.; Dittmer, Janke J.; Teclemariam, Nerayo; Milliron, Delia; Alivisatos, A. Paul; Barnham, Keith W.J.
2002-06-21
Charge transport in composites of inorganic nanorods and aconjugated polymer is investigated using a photovoltaic device structure.We show that the current-voltage (I-V) curves in the dark can be modelledusing the Shockley equation modified to include series and shuntresistance at low current levels, and using an improved model thatincorporates both the Shockley equation and the presence of a spacecharge limited region at high currents. Under illumination, theefficiency of photocurrent generation is found to be dependent on appliedbias. Furthermore, the photocurrent-light intensity dependence was foundto be sublinear. An analysis of the shunt resistance as a function oflight intensity suggests that the photocurrent as well as the fill factoris diminished as a result of increased photoconductivity of the activelayer at high light intensity. By studying the intensity dependence ofthe open circuit voltage for nanocrystals with different diameters andthus ! band gaps, it was inferred that Fermi-level pinning occurs at theinterface between the aluminum electrode and the nanocrystal.
Anisotropic charge transport in flavonoids as organic semiconductors
NASA Astrophysics Data System (ADS)
Hou, Chunyuan; Chen, Xin
2015-03-01
A quantum mechanical approach has been used to investigate on the potential for using two naturally occurring flavonoids: quercetin and luteolin as candidates for organic semiconductor. Selection of flavonoids enables to evaluate the effects of hydroxyl group structural features. The relationship between molecular packing and charge transport in flavonoids is presented. The calculated results indicate that quercetin should be an ideal candidate as high-performance p-type organic semiconductor material, while luteolin is predicted as n-type organic semiconductor material. The predicted maximum electron mobility value of quercetin is 0.075 cm2 V-1 s-1, which appears at the orientation angle near 91°/271° of conducting channel on the reference planes b-c. Theoretical investigation of natural semiconductors is helpful for designing higher performance electronic materials used in biochemical and industrial field to replace expensive and rare organic materials.
Charge transport across the metal-polymer film boundary
NASA Astrophysics Data System (ADS)
Yumaguzin, Yu. M.; Salikhov, T. R.; Shayakhmetov, R. U.; Salikhov, R. B.
2016-08-01
Thin polyaniline films were fabricated by thermal vacuum evaporation from a Knudsen effusion cell. The conducting properties of films synthesized under different evaporation conditions were studied. The enhancement of the emission capacity of a wolfram tip coated with a polyaniline film of a nanometer thickness was demonstrated experimentally. A model of the discovered effect was proposed. The obtained Fowler-Nordheim current-voltage characteristics were used to estimate the change in the electronic work function occurring when a thin film is deposited on the tip surface. The effective temperature of electrons emitted from the polyaniline film was determined based on the results of analysis of energy distributions, and the specific features of charge transport in the metal-polyaniline-vacuum system were examined. A model of energy bands of the metal-polymer film contact was also constructed.
Lunar dust transport by photoelectric charging at sunset
NASA Technical Reports Server (NTRS)
Pelizzari, M. A.; Criswell, D. R.
1978-01-01
The motion of dust grains from a photoelectrically charged object at the moon's sunset terminator is studied with the aid of a simple model. It is shown that sunlit objects ranging in size from less than 0.01 cm to 5 cm in radius are responsible for the levitation of dust grains to heights of observed horizon glow. The transverse displacement of these grains is observed to be at least twice their maximum altitude, so that fitting the latter to horizon glow implies horizontal particle ranges typically 6 to 60 cm. Detachment of these grains from the sunlit areas takes place mainly along the contracting sunlight boundaries as the areas shrink during sunset. A high ratio of intergrain adhesion force to dust-grain weight is essential for the occurrence of horizon glow and significant dust transport from the subcentimeter sized sunlit areas.
Transport of intense beams of highly charged ions
NASA Astrophysics Data System (ADS)
Winkler, M.; Gammino, S.; Ciavola, G.; Celona, L.; Spadtke, P.; Tinschert, K.
2005-10-01
The new generation of ion sources delivers beams with intensities of several mA. This requires a careful design of the analysing system and the low-energy beam transport (LEBT) from the source to the subsequent systems. At INFN-LNS, high intensity proton sources (TRIPS [L. Celona, G. Ciavola, S. Gammino et al ., Rev. Sci. Instrum. 75(5) 1423 (2004)], PM-TRIPS [G. Ciavola, L. Celona, S. Gammino et al ., Rev. Sci. Instrum. 75(5) 1453 (2004)]) as well as ECR ion sources for the production of highly charged high-intensity heavy ion beams are developed (SERSE [S. Gammino, G. Ciavola, L. Celona et al ., Rev. Sci. Instrum. 72(11) 4090 (2001), and references therein], GyroSERSE [S. Gammino et al ., Rev. Sci. Instrum. 75(5) 1637 (2004)], MS-ECRIS [G. Ciavola et al ., (2005), 11th Int. Conf. on Ion Sources, Caen, (in press)]). In this paper, we present ion-optical design studies of various LEBT systems for ion-sources devoted to the production of intense beams. Calculations were performed using the computer codes GIOS [H. Wollnik, J. Brezina and M. Berz, NIM A 258 (1987)], GICO [M. Berz, H.C. Hoffmann, and H. Wollnik, NIM A 258 (1987)], and TRANSPORT [K.L. Brown, F. Rothacker and D.C. Carey, SLAC-R-95-462, Fermilab-Pub-95/069, UC-414 (1995)]. Simulations take into account the expected phase space growth of the beam emittance due to space-charge effects and image aberrations introduced by the magnetic elements.
Microscopic theory on charge transports of a correlated multiorbital system
NASA Astrophysics Data System (ADS)
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.
DNA Charge Transport: From Chemical Principles to the Cell
Arnold, Anna R.; Grodick, Michael A.; Barton, Jacqueline K.
2016-01-01
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
Metal Complexes for DNA-Mediated Charge Transport
Barton, Jacqueline K.; Olmon, Eric D.; Sontz, Pamela A.
2010-01-01
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 DNA CT to how the metal complexes are stacked in the helix. Experiments with cyclopropylamine-modified bases have revealed that charge occupation occurs at all sites along the bridge. Using Ir complexes, we have seen that the process of DNA-mediated reduction is very similar to that of DNA-mediated oxidation. Studies involving metalloproteins have, furthermore, shown that their redox activity is DNA-dependent and can be DNA-mediated. Long range DNA-mediated CT can facilitate the oxidation of DNA-bound base excision repair proteins to initiate a redox-active search for DNA lesions. DNA CT can also activate the transcription factor SoxR, triggering a cellular response to oxidative stress. Indeed, these studies show that within the cell, redox-active proteins may utilize the same chemistry as that of synthetic metal complexes in vitro, and these proteins may harness DNA-mediated CT to reduce damage to the genome and regulate cellular processes. PMID:21643528
Nonlinear transport of graphene in the quantum Hall regime
NASA Astrophysics Data System (ADS)
Tian, Shibing; Wang, Pengjie; Liu, Xin; Zhu, Junbo; Fu, Hailong; Taniguchi, Takashi; Watanabe, Kenji; Chen, Jian-Hao; Lin, Xi
2017-03-01
We have studied the breakdown of the integer quantum Hall (QH) effect with fully broken symmetry, in an ultra-high mobility graphene device sandwiched between two single crystal hexagonal boron nitride substrates. The evolution and stabilities of the QH states are studied quantitatively through the nonlinear transport with dc Hall voltage bias. The mechanism of the QH breakdown in graphene and the movement of the Fermi energy with the electrical Hall field are discussed. This is the first study in which the stabilities of fully symmetry broken QH states are probed all together. Our results raise the possibility that the ν = ±6 states might be a better target for the quantum resistance standard.
Nonlinear ionic transport through microstructured solid electrolytes: homogenization estimates
NASA Astrophysics Data System (ADS)
Curto Sillamoni, Ignacio J.; Idiart, Martín I.
2016-10-01
We consider the transport of multiple ionic species by diffusion and migration through microstructured solid electrolytes in the presence of strong electric fields. The assumed constitutive relations for the constituent phases follow from convex energy and dissipation potentials which guarantee thermodynamic consistency. The effective response is heuristically deduced from a multi-scale convergence analysis of the relevant field equations. The resulting homogenized response involves an effective dissipation potential per species. Each potential is mathematically akin to that of a standard nonlinear heterogeneous conductor. A ‘linear-comparison’ homogenization technique is then used to generate estimates for these nonlinear potentials in terms of available estimates for corresponding linear conductors. By way of example, use is made of the Maxwell-Garnett and effective-medium linear approximations to generate estimates for two-phase systems with power-law dissipation. Explicit formulas are given for some limiting cases. In the case of threshold-type behavior, the estimates exhibit non-analytical dilute limits and seem to be consistent with fields localized in low energy paths.
NASA Astrophysics Data System (ADS)
Al-Hindawi, Mohammed M.; Abusorrah, Abdullah; Al-Turki, Yusuf; Giaouris, Damian; Mandal, Kuntal; Banerjee, Soumitro
Photovoltaic (PV) systems with a battery back-up form an integral part of distributed generation systems and therefore have recently attracted a lot of interest. In this paper, we consider a system of charging a battery from a PV panel through a current mode controlled boost dc-dc converter. We analyze its complete nonlinear/nonsmooth dynamics, using a piecewise model of the converter and realistic nonlinear v-i characteristics of the PV panel. Through this study, it is revealed that system design without taking into account the nonsmooth dynamics of the converter combined with the nonlinear v-i characteristics of the PV panel can lead to unpredictable responses of the overall system with high current ripple and other undesirable phenomena. This analysis can lead to better designed converters that can operate under a wide variation of the solar irradiation and the battery's state of charge. We show that the v-i characteristics of the PV panel combined with the battery's output voltage variation can increase or decrease the converter's robustness, both under peak current mode control and average current mode control. We justify the observation in terms of the change in the discrete-time map caused by the nonlinear v-i characteristics of the PV panel. The theoretical results are validated experimentally.
Charge injection and transport properties of an organic light-emitting diode
Juhasz, Peter; Nevrela, Juraj; Micjan, Michal; Novota, Miroslav; Uhrik, Jan; Stuchlikova, Lubica; Jakabovic, Jan; Harmatha, Ladislav
2016-01-01
Summary The charge behavior of organic light emitting diode (OLED) is investigated by steady-state current–voltage technique and impedance spectroscopy at various temperatures to obtain activation energies of charge injection and transport processes. Good agreement of activation energies obtained by steady-state and frequency-domain was used to analyze their contributions to the charge injection and transport. We concluded that charge is injected into the OLED device mostly through the interfacial states at low voltage region, whereas the thermionic injection dominates in the high voltage region. This comparison of experimental techniques demonstrates their capabilities of identification of major bottleneck of charge injection and transport. PMID:26925351
O'Regan, Brian C; Bakker, Klaas; Kroeze, Jessica; Smit, Herman; Sommeling, Paul; Durrant, James R
2006-08-31
Charge transport rate at open-circuit potential (V(oc)) is proposed as a new characterization method for dye-sensitized (DS) and other nanostructured solar cells. At V(oc), charge density is flat and measurable, which simplifies quantitative comparison of transport and charge density. Transport measured at V(oc) also allows meaningful comparison of charge transport rates between different treatments, temperatures, and types of cells. However, in typical DS cells, charge transport rates at V(oc) often cannot be measured by photocurrent transients or modulation techniques due to RC limitations and/or recombination losses. To circumvent this limitation, we show that charge transport at V(oc) can be determined directly from the transient photovoltage rise time using a simple, zero-free-parameter model. This method is not sensitive to RC limitation or recombination losses. In trap limited devices, such as DS cells, the comparison of transport rates between different devices or conditions is only valid when the Fermi level in the limiting conductor is at the same distance from the band edge. We show how to perform such comparisons, correcting for conduction band shifts using the density of states (DOS) distribution determined from the same photovoltage transients. Last we show that the relationship between measured transport rate and measured charge density is consistent with the trap limited transport model.
Understanding Charge Transport in Mixed Networks of Semiconducting Carbon Nanotubes
2016-01-01
The ability to select and enrich semiconducting single-walled carbon nanotubes (SWNT) with high purity has led to a fast rise of solution-processed nanotube network field-effect transistors (FETs) with high carrier mobilities and on/off current ratios. However, it remains an open question whether it is best to use a network of only one nanotube species (monochiral) or whether a mix of purely semiconducting nanotubes but with different bandgaps is sufficient for high performance FETs. For a range of different polymer-sorted semiconducting SWNT networks, we demonstrate that a very small amount of narrow bandgap nanotubes within a dense network of large bandgap nanotubes can dominate the transport and thus severely limit on-currents and effective carrier mobility. Using gate-voltage-dependent electroluminescence, we spatially and spectrally reveal preferential charge transport that does not depend on nominal network density but on the energy level distribution within the network and carrier density. On the basis of these results, we outline rational guidelines for the use of mixed SWNT networks to obtain high performance FETs while reducing the cost for purification. PMID:26867006
Mass and charge transport in arbitrarily shaped microchannels
NASA Astrophysics Data System (ADS)
Bruus, Henrik; Asger Mortensen, Niels; Okkels, Fridolin; Hoejgaard Olesen, Laurits
2006-11-01
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 problem of arbitrarily shaped cross sections and obtain general results in linear-response theory for the mass and charge transport coefficients which satisfy Onsager relations [1,2]. In the limit of non-overlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as half the hydraulic diameter R=2 A/P with A and P being the cross- sectional area and perimeter, respectively. In particular, 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.[1] N. A. Mortensen, F. Okkels, and H. Bruus, Phys. Rev. E 71, 057301 (2005) [2] N. A. Mortensen, L. H. Olesen, and H. Bruus, New J. Phys. 8, 37 (2006)
Intrinsic slow charge response in the perovskite solar cells: Electron and ion transport
Shi, Jiangjian; Xu, Xin; Zhang, Huiyin; Luo, Yanhong; Li, Dongmei; Meng, Qingbo
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.
Non-linear transport by solitons in nanofibers of polymers in high magnetic field
NASA Astrophysics Data System (ADS)
Kirova, N.; Brazovskii, S.; Choi, A.; Park, Y. W.
2012-06-01
Nonlinear local excitations like solitons, polarons, and bipolarons are known to be responsible for physical properties of conducting polymers. Recent experiments on nano-fibers in high electric and magnetic fields provide a further insight by demonstrating an effect of vanishing magnetoconductance (MC) in the polyacetylene (PA)-in contrast to other polymers. Here we present new experimental data and describe the theoretical model based on notion of solitons-dimerization kinks which can carry either the spin or the charge; they are allowed only in the PA with its degenerate ground state. The solitons experience a confinement force due to the interchange coupling which is erased by the electric field and disappears above critical field strength. The unbinding by tunneling allows for the transport of individual solitons, which sweeps off the spins residing at electronic intragap states associated with polarons, hence the vanishing MC.
A moment-preserving nonanalog method for charged particle transport.
Prinja, Anil K.; Franke, Brian Claude; Fichtl, Erin; Harding, Lee T.
2004-09-01
Extremely short collision mean free paths and near-singular elastic and inelastic differential cross sections (DCS) make analog Monte Carlo simulation an impractical tool for charged particle transport. The widely used alternative, the condensed history method, while efficient, also suffers from several limitations arising from the use of precomputed smooth distributions for sampling. There is much interest in developing computationally efficient algorithms that implement the correct transport mechanics. Here we present a nonanalog transport-based method that incorporates the correct transport mechanics and is computationally efficient for implementation in single event Monte Carlo codes. Our method systematically preserves important physics and is mathematically rigorous. It builds on higher order Fokker-Planck and Boltzmann Fokker-Planck representations of the scattering and energy-loss process, and we accordingly refer to it as a Generalized Boltzmann Fokker-Planck (GBFP) approach. We postulate the existence of nonanalog single collision scattering and energy-loss distributions (differential cross sections) and impose the constraint that the first few momentum transfer and energy loss moments be identical to corresponding analog values. This is effected through a decomposition or hybridizing scheme wherein the singular forward peaked, small energy-transfer collisions are isolated and de-singularized using different moment-preserving strategies, while the large angle, large energy-transfer collisions are described by the exact (analog) DCS or approximated to a high degree of accuracy. The inclusion of the latter component allows the higher angle and energy-loss moments to be accurately captured. This procedure yields a regularized transport model characterized by longer mean free paths and smoother scattering and energy transfer kernels than analog. In practice, acceptable accuracy is achieved with two rigorously preserved moments, but accuracy can be
Bardhan, Jaydeep P.; Knepley, Matthew G.
2014-10-07
We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley “bracelet” and “rod” test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, “Charge asymmetries in hydration of polar solutes,” J. Phys. Chem. B 112, 2405–2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry.
Nonlinear Evolution and Final Fate of Charged Anti-de Sitter Black Hole Superradiant Instability.
Bosch, Pablo; Green, Stephen R; Lehner, Luis
2016-04-08
We describe the full nonlinear development of the superradiant instability for a charged massless scalar field coupled to general relativity and electromagnetism, in the vicinity of a Reissner-Nordström-anti-de Sitter black hole. The presence of the negative cosmological constant provides a natural context for considering perfectly reflecting boundary conditions and studying the dynamics as the scalar field interacts repeatedly with the black hole. At early times, small superradiant perturbations grow as expected from linearized studies. Backreaction then causes the black hole to lose charge and mass until the perturbation becomes nonsuperradiant, with the final state described by a stable hairy black hole. For large gauge coupling, the instability extracts a large amount of charge per unit mass, resulting in greater entropy increase. We discuss the implications of the observed behavior for the general problem of superradiance in black hole spacetimes.
NASA Astrophysics Data System (ADS)
Bardhan, Jaydeep P.; Knepley, Matthew G.
2014-10-01
We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley "bracelet" and "rod" test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, "Charge asymmetries in hydration of polar solutes," J. Phys. Chem. B 112, 2405-2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry.
Nonlinear dynamics of spin and charge in spin-Calogero model
Kulkarni, Manas; Franchini, Fabio; Abanov, Alexander G.
2009-10-15
The fully nonlinear dynamics of spin and charge in spin-Calogero model is studied. The latter is an integrable one-dimensional model of quantum spin-1/2 particles interacting through inverse-square interaction and exchange. Classical hydrodynamic equations of motion are written for this model in the regime where gradient corrections to the exact hydrodynamic formulation of the theory may be neglected. In this approximation variables separate in terms of dressed Fermi momenta of the model. Hydrodynamic equations reduce to a set of decoupled Riemann-Hopf (or inviscid Burgers') equations for the dressed Fermi momenta. We study the dynamics of some nonequilibrium spin-charge configurations for times smaller than the time scale of the gradient catastrophe. We find an interesting interplay between spin and charge degrees of freedom. In the limit of large coupling constant the hydrodynamics reduces to the spin hydrodynamics of the Haldane-Shastry model.
2016-01-01
Summary As a sanity test for the theoretical method employed, studies on (steady-state) charge transport through molecular devices usually confine themselves to check whether the method in question satisfies the charge conservation. Another important test of the theory’s correctness is to check that the computed current does not depend on the choice of the central region (also referred to as the “extended molecule”). This work addresses this issue and demonstrates that the relevant transport and transport-related properties are indeed invariant upon changing the size of the extended molecule, when the embedded molecule can be described within a general single-particle picture (namely, a second-quantized Hamiltonian bilinear in the creation and annihilation operators). It is also demonstrates that the invariance of nonequilibrium properties is exhibited by the exact results but not by those computed approximately within ubiquitous wide- and flat-band limits (WBL and FBL, respectively). To exemplify the limitations of the latter, the phenomenon of negative differential resistance (NDR) is considered. It is shown that the exactly computed current may exhibit a substantial NDR, while the NDR effect is absent or drastically suppressed within the WBL and FBL approximations. The analysis done in conjunction with the WBLs and FBLs reveals why general studies on nonequilibrium properties require a more elaborate theoretical than studies on linear response properties (e.g., ohmic conductance and thermopower) at zero temperature. Furthermore, examples are presented that demonstrate that treating parts of electrodes adjacent to the embedded molecule and the remaining semi-infinite electrodes at different levels of theory (which is exactly what most NEGF-DFT approaches do) is a procedure that yields spurious structures in nonlinear ranges of current–voltage curves. PMID:27335734
Photoinduced Charge Transport in a BHJ Solar Cell Controlled by an External Electric Field
Li, Yongqing; Feng, Yanting; Sun, Mengtao
2015-01-01
This study investigated theoretical photoinduced charge transport in a bulk heterojunction (BHJ) solar cell controlled by an external electric field. Our method for visualizing charge difference density identified the excited state properties of photoinduced charge transfer, and the charge transfer excited states were distinguished from local excited states during electronic transitions. Furthermore, the calculated rates for the charge transfer revealed that the charge transfer was strongly influenced by the external electric field. The external electric field accelerated the rate of charge transfer by up to one order when charge recombination was significantly restrained. Our research demonstrated that photoinduced charge transport controlled by an external electric field in a BHJ solar cell is efficient, and the exciton dissociation is not the limiting factor in organic solar cells.Our research should aid in the rational design of a novel conjugated system of organic solar cells. PMID:26353997
Holm, D.D.; Kupershmidt, B.A.
1987-10-15
Four levels of nonlinear hydrodynamic description are presented for a nondissipative multicondensate solution of superfluids with vorticity. First, the multivelocity superfluid (MVSF) theory is extended to the case of a multivelocity superfluid plasma (MVSP), in which some of the superfluid condensates (protons, say) are charged and coupled electromagnetically to an additional, normal, charged fluid (electrons). The resulting drag-current density is derived due to the electromagnetic coupling of the condensates with the normal fluids. For the case of one charged condensate, the MVSP equations simplify to what we call superfluid Hall magnetohydrodynamics (SHMHD) in the approximation that displacement current and electron inertia are negligible, and local charge neutrality is imposed. The contribution of the charged condensate to the Hall drift force is determined. In turn, neglecting the Hall effect in SHMHD gives the equations of superfluid magnetohydrodynamics (SMHD). Each set of equations (MVSF, MVSP, SHMHD, and SMHD) is shown to be Hamiltonian and to possess a Poisson bracket associated with the dual space of a corresponding semidirect-product Lie algebra with a generalized two-cocycle defined on it. Topological conservation laws (helicities) associated with the kernels of these Lie algebras are also discussed as well as those associated physically with generalized Kelvin theorems for conservation of superfluid circulation around closed loops moving with the normal fluid.
Nanoscale study of perovskite solar cells for efficient charge transport
NASA Astrophysics Data System (ADS)
Adhikari, Nirmal
The effect of temperature, humidity and water on the grain boundary potential and charge transport within the grains of pervoskite films prepared by sequential deposition technique. Grain boundary potential of perovskite films exhibited variation in electrical properties with humidity level, temperature and water concentration in methyl ammonium iodide solution. X-ray diffraction (XRD) indicates the formation of PbI2 phase in perovskite film with increasing temperature, humidity and adding larger quantity of water in methyl ammonium iodide solution. It is found that optimum amount of lead iodide helps for the passivation of perovskite film. Spatial mapping of surface potential in the perovskite film exhibits higher positive potential at grain boundaries compared to the surface of the grains. Back recombination barrier between TiO2- perovskite increases to 378 meV for perovskite film annealed at 100 ºC for 15 min. Grain boundary potential barrier were found to increase from ˜35 meV to 80 meV for perovskite film exposed to 75% RH level compared to perovskite film kept inside glove box. Optimum amount of water which increases the solar cell performance by increasing the crystallinity of perovskite film was found to be 5% by volume of IPA. Results show strong correlation between temperature, humidity level, electronic grain boundary properties and device performance of perovskite solar cells.
Charge transport through one-dimensional Moiré crystals
Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; 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
Charge transport through one-dimensional Moiré crystals
NASA Astrophysics Data System (ADS)
Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; 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.
Mass and charge transport in IPMC actuators with fractal interfaces
NASA Astrophysics Data System (ADS)
Chang, Longfei; Wu, Yucheng; Zhu, Zicai; Li, Heng
2016-04-01
Ionic Polymer-Metal Composite (IPMC) actuators have been attracting a growing interest in extensive applications, which consequently raises the demands on the accuracy of its theoretical modeling. For the last few years, rough landscape of the interface between the electrode and the ionic membrane of IPMC has been well-documented as one of the key elements to ensure a satisfied performance. However, in most of the available work, the interface morphology of IPMC was simplified with structural idealization, which lead to perplexity in the physical interpretation on its interface mechanism. In this paper, the quasi-random rough interface of IPMC was described with fractal dimension and scaling parameters. And the electro-chemical field was modeled by Poisson equation and a properly simplified Nernst-Planck equation set. Then, by simulation with Finite Element Method, a comprehensive analysis on he inner mass and charge transportation in IPMC actuators with different fractal interfaces was provided, which may be further adopted to instruct the performance-oriented interface design for ionic electro-active actuators. The results also verified that rough interface can impact the electrical and mechanical response of IPMC, not only from the respect of the real surface increase, but also from mass distribution difference caused by the complexity of the micro profile.
Charge transport in DNA nanowires connected to carbon nanotubes
NASA Astrophysics Data System (ADS)
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.
Yield modeling of acoustic charge transport transversal filters
NASA Technical Reports Server (NTRS)
Kenney, J. S.; May, G. S.; Hunt, W. D.
1995-01-01
This paper presents a yield model for acoustic charge transport transversal filters. This model differs from previous IC yield models in that it does not assume that individual failures of the nondestructive sensing taps necessarily cause a device failure. A redundancy in the number of taps included in the design is explained. Poisson statistics are used to describe the tap failures, weighted over a uniform defect density distribution. A representative design example is presented. The minimum number of taps needed to realize the filter is calculated, and tap weights for various numbers of redundant taps are calculated. The critical area for device failure is calculated for each level of redundancy. Yield is predicted for a range of defect densities and redundancies. To verify the model, a Monte Carlo simulation is performed on an equivalent circuit model of the device. The results of the yield model are then compared to the Monte Carlo simulation. Better than 95% agreement was obtained for the Poisson model with redundant taps ranging from 30% to 150% over the minimum.
Coherent pulses in the diffusive transport of charged particles`
NASA Technical Reports Server (NTRS)
Kota, J.
1994-01-01
We present exact solutions to the diffusive transport of charged particles following impulsive injection for a simple model of scattering. A modified, two-parameter relaxation-time model is considered that simulates the low rate of scattering through perpendicular pitch-angle. Scattering is taken to be isotropic within each of the foward- and backward-pointing hemispheres, respectively, but, at the same time, a reduced rate of sccattering is assumed from one hemisphere to the other one. By applying a technique of Fourier- and Laplace-transform, the inverse transformation can be performed and exact solutions can be reached. By contrast with the first, and so far only exact solutions of Federov and Shakov, this wider class of solutions gives rise to coherent pulses to appear. The present work addresses omnidirectional densities for isotropic injection from an instantaneous and localized source. The dispersion relations are briefly discussed. We find, for this particular model, two diffusive models to exist up to a certain limiting wavenumber. The corresponding eigenvalues are real at the lowest wavenumbers. Complex eigenvalues, which are responsible for coherent pulses, appear at higher wavenumbers.
Spatial charge configuration regulates nanoparticle transport and binding behavior in vivo
Han, Hee-Sun; Martin, John D.; Lee, Jungmin; Harris, Daniel K.; Fukumura, Dai; Jain, Rakesh K.; Bawendi, Moungi
2013-01-01
Detailed Charge arrangements: A new set of zwitterionic quantum dots were synthesized and used to study the influence of microscopic charge arrangements on the in vivo behavior of nanoparticles. Experiments using cultured cells and live mice demonstrate that the microscopic arrangement of surface charges strongly influence nonspecific binding, clearance behavior, and in vivo transport of nanoparticles. PMID:23255143
Influence of nonlinear chemical reactions on the transport coefficients in oscillatory Couette flow
NASA Astrophysics Data System (ADS)
Barik, Swarup; Dalal, D. C.
2016-10-01
A multiple-scale method of averaging is applied to the study of transport of a chemical species in oscillatory Couette flow where the species may undergoes a reversible phase exchange with the boundary wall and nonlinear chemical reactions both within the fluid and at the boundary wall. Analytical expressions are obtained for transport coefficients. The results shows how the transport coefficients are influenced by the reversible phase exchange reaction kinetics and the rate and degree of the nonlinear decay chemical reaction.
Charge and heat transport in soft nanosystems in the presence of time-dependent perturbations
Perroni, Carmine Antonio; Ramaglia, Vincenzo Marigliano; Cataudella, Vittorio
2016-01-01
Summary Background: Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. Effects of the electron–vibration coupling on the charge and heat transport of soft nanoscopic systems are theoretically investigated in the presence of time-dependent perturbations, such as a forcing antenna or pumping terms between the leads and the nanosystem. A well-established approach valid for non-equilibrium adiabatic regimes is generalized to the case where external time-dependent perturbations are present. Then, a number of relevant applications of the method are reviewed for systems composed by a quantum dot (or molecule) described by a single electronic level coupled to a vibrational mode. Results: Before introducing time-dependent perturbations, the range of validity of the adiabatic approach is discussed showing that a very good agreement with the results of an exact quantum calculation is obtained in the limit of low level occupation. Then, we show that the interplay between the low frequency vibrational modes and the electronic degrees of freedom affects the thermoelectric properties within the linear response regime finding out that the phonon thermal conductance provides an important contribution to the figure of merit at room temperature. Our work has been stimulated by recent experimental results on carbon nanotube electromechanical devices working in the semiclassical regime (resonator frequencies in the megahertz range compared to an electronic hopping frequency of the order of tens of gigahertz) with extremely high quality factors. The nonlinear vibrational regime induced by the external antenna in such systems has been discussed within the non-perturbative adiabatic approach reproducing quantitatively the characteristic asymmetric shape of the current–frequency curves. Within the same set-up, we have
NASA Astrophysics Data System (ADS)
Shocron, Amit N.; Suss, Matthew E.
2017-03-01
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.
NASA Astrophysics Data System (ADS)
Shocron, Amit N.; Suss, Matthew E.
2016-07-01
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.
Fedila, D. Ali; Djebli, M.
2010-10-15
The effect of collision on small amplitude dust-acoustic waves is investigated for a plasma with positively charged dust grains. Taking into account the presence of different electron populations in thermal equilibrium, a modified Korteweg-de Vries equation is established. The existence conditions and nature of the waves, i.e., rarefactive or compressive, are found to be mainly dependent on the temperature and the density of the cold electrons. The present model is used to understand the salient features of the fully nonlinear dust-acoustic waves in the lower region of the Earth's ionosphere, at an altitude of {approx}85 km with the presence of an external heating source.
Simulating the transport of heavy charged particles through trabecular spongiosa
NASA Astrophysics Data System (ADS)
Gersh, Jacob A.
As planning continues for manned missions far beyond Low Earth Orbit, a paramount concern remains the flight crew's exposure to galactic cosmic radiation. When humans exit the protective magnetic field of Earth, they become subject to bombardment by highly-reactive heavy charged (HZE) particles. A possible consequence of this two- to three-year-long mission is the onset of radiation-induced leukemia, a disorder with a latency period as short as two to three years. Because data on risk to humans from exposure to HZE particles is non-existent, studies of leukemia in animals are now underway to investigate the relative effectiveness of HZE exposures. Leukemogenesis can result from energy depositions occurring within marrow contained in the trabecular spongiosa. Trabecular spongiosa is found in flat bones and within the ends of long bones, and is characterized by an intricate matrix of interconnected bone tissue forming cavities that house marrow. The microscopic internal dimensions of spongiosa vary between species. As radiation traverses this region, interface-induced dose perturbations that occur at the interfaces between bone and marrow affect the patterns of energy deposition within the region. An aim of this project is to determine the extent by which tissue heterogeneity and microscopic dimensions have on patterns of energy deposition within the trabecular spongiosa. This leads to the development of PATHFIT, a computer code capable of generating simple quadric-based geometric models of trabecular spongiosa for both humans and mice based on actual experimentally-determined internal dimensions of trabecular spongiosa. Following the creation of spongiosa models, focus is placed on the development of HITSPAP, a hybrid Monte Carlo (MC) radiation transport code system that combines capabilities of the MC code PENELOPE and MC code PARTRAC. This code is capable of simulating the transport of HZE particles through accurate models of trabecular spongiosa. The final and
Charge flipping vortices in the discrete nonlinear Schrödinger trimer and hexamer
NASA Astrophysics Data System (ADS)
Jason, Peter; Johansson, Magnus
2015-02-01
We examine the existence and properties of charge flipping vortices (CFVs), vortices which periodically flip the topological charge, in three-site (trimer) and six-site (hexamer) discrete nonlinear Schrödinger lattices. We demonstrate numerically that CFVs exist as exact quasiperiodic solutions in continuous families which connect two different stationary solutions without topological charge, and that it is possible to interpret the dynamics of certain CFVs as the result of perturbations of these stationary solutions. The CFVs are calculated with high numerical accuracy and we may therefore accurately determine many of their properties, such as their energy and linear stability, and the CFVs are found to be stable over large parameter regimes. We also show that, like in earlier studies for lattices with a multiple of four sites, trimer and hexamer CFVs can be obtained by perturbing stationary constant amplitude vortices with certain linear eigenmodes. However, in contrast to the former case where the perturbation could be infinitesimal, the magnitude of the perturbations for trimers and hexamers must overcome a quite large threshold value. These CFVs may be interpreted as exact quasiperiodic CFVs, with a small perturbation applied. The concept of a charge flipping energy barrier is introduced and discussed.
NASA Astrophysics Data System (ADS)
López, Rosa; Sánchez, David
2013-07-01
We investigate nonlinear heat properties in mesoscopic conductors using a scattering theory of transport. Our approach is based on a leading-order expansion in both the electrical and thermal driving forces. Beyond linear response, the transport coefficients are functions of the nonequilibrium screening potential that builds up in the system due to interactions. Within a mean-field approximation, we self-consistently calculate the heat rectification properties of a quantum dot attached to two terminals. We discuss nonlinear contributions to the Peltier effect and find departures from the Wiedemann-Franz law in the nonlinear regime of transport.
Charge Transport at Ti-Doped Hematite (001)/Aqueous Interfaces
Chatman, Shawn ME; Pearce, Carolyn I.; Rosso, Kevin M.
2015-03-10
Solid-state transport and electrochemical properties of Ti-doped hematite (001) epitaxial thin films (6.0, 8.3, and 16.6 at% Ti) were probed to achieve a better understanding of doped hematite for photoelectrochemical (PEC) applications. Room temperature resistivity measurements predict a resistivity minimum near 10 at% Ti doping, which can be rationalized as maximizing charge compensating Fe2+ concentration and Fe3+ electron accepting percolation pathways simultaneously. Temperature dependent resistivity data are consistent with small polaron hopping, revealing an activation energy that is Ti concentration dependent and commensurate with previously reported values (≈ 0.11 eV). In contact with inert electrolyte, linear Mott-Schottky data at various pH values indicate that there is predominantly a single donor for Ti-doped hematite at 6.0 at% Ti and 16.6 at% Ti concentrations. Two slope Mott-Schottky data at pH extremes indicate the presence of a second donor or surface state in the 8.3 at% Ti-doped film, with an energy level ≈ 0.7 eV below the Fermi level. Mott-Schottky plots indicate pH and Ti concentration dependent flatband potentials of -0.4 to -1.1 V vs. Ag/AgCl, commensurate with previously reported data. Flatband potentials exhibited super-Nernstian pH dependence ranging from -69.1 to -101.0 mV/pH. Carrier concentration data indicate that the Fermi energy of the Ti-doped system is Ti concentration dependent, with a minimum of 0.15 eV near 10 at% Ti. These energy level data allow us to construct an energy band diagram for Ti-doped hematite electrode/electrolyte interfaces, and to determine a Ti-doping concentration t
NASA Astrophysics Data System (ADS)
Sanz Prat, A.; Lu, C.; Cirpka, O. A.
2014-12-01
Travel-time based models are presented as an alternative to traditional spatially explicit models to solve nonlinear reactive-transport problems. The main advantage of the travel-time approach is that it does not require multi-dimensional characterization of physical and chemical parameters, and transport is one-dimensional. Spatial dimensions are replaced by groundwater travel time, defined as the time required by a water particle to reach an observation point or the outflow boundary, respectively. The fundamental hypothesis is that locations of the same groundwater age exhibit the same reactive-species concentrations. This is true in strictly advective-reactive transport in steady-state flows if the coefficients of reactions are uniform and the concentration is uniform over the inflow boundary. We hypothesize that the assumption still holds when adding some dispersion in coupled flow and transport dynamics. We compare a two-dimensional, spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ by the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. We consider biodegradation of organic matter catalyzed by non-competitive inhibitive microbial populations. The simulated inflow contains oxygen, nitrate, and DOC. The domain contains growing aerobic and denitrifying bacteria, the latter being inhibited by oxygen. This system is computed in 1-D, and in 2-D heterogeneous domains. We conclude that the conceptualization of nonlinear bioreactive transport in complex multi-dimensional domains by quasi 1-D travel-time models is valid for steady-state flow if the reactants are introduced over a wide cross-section, flow is at quasi-steady state, and dispersive
EDITORIAL: Charge transport in non-metallic solids
NASA Astrophysics Data System (ADS)
Youngs, Ian J.; Almond, Darryl P.
2009-03-01
Workers engaged in a wide range of investigations of charge transport in non-metallic solids came together at a meeting of the Institute of Physics Dielectric Group, held in London on 2 April 2008. Topics included both ionic and electronic conduction, investigations of the fundamental mechanisms of charge transport, percolation, modelling the conduction process in both natural and man-made composite electrical and electromagnetic materials, the design and development of solids with specified conduction properties and the ac characteristics of non-metallic solids. In the first session, the long-standing problem of the anomalous power law increase in ac conductivity with frequency was addressed by a set of four presentations. Jeppe Dyre, an invited speaker from Roskilde University, Denmark, introduced the problem and stressed the universality of the frequency dependence observed in the ac conductivities of disordered non-metallic materials. He showed that it could be obtained from a simple random barrier model, independent of the barrier distribution. Darryl Almond, University of Bath, showed that the electrical responses of large networks of randomly positioned resistors and capacitors, simulating the microstructures of disordered two-phase (conductor insulator) materials, exhibit the same frequency dependence. He demonstrated their robustness to component value and distribution and suggested that it was an emergent property of these networks and of two-phase materials. Klaus Funke, an invited speaker from the University of Munster, Germany, presented a detailed model of ion motion in disordered ionic materials. He stressed the need to account for the concerted many-particle processes that occur whilst ions hop from site to site in response to an applied electric field. The conductivity spectra obtained from this work reproduce the same frequency dispersion and have the additional feature of conductivity saturation at high frequencies. Tony West, University of
Nonlinear quantization of a degenerate charged Bose gas in an external Coulomb trap
Reinisch, Gilbert
2004-09-01
We consider a degenerate charged Bose-Coulomb gas populating several discrete stationary boson bound states that are located in a spherical-symmetrical central Coulombian potential. Each such state is defined, through appropriate boundary conditions and normalization, by a so-called 'nonlinear eigenstate' that is actually a solution of the coupled (linear) stationary Schroedinger-like Gross-Pitaevskii differential equation and the (nonlinear) Poisson equation. The corresponding eigenvalues allow us to define the energies of these degenerate boson states, much like the Koopmans orbital energy in atomic physics. This theory applies surprisingly well (compared with the corresponding Hartree-Fock results) to spherical-symmetrical s orbital states in atomic physics (i.e., bosonlike restricted orbital states where the additional spin degree of freedom is already integrated out). Finally the superposition of two such stationary nonlinear eigenstates is investigated and given a semiclassical physical significance similar to a Thomas-Fermi approach. The resulting concepts apply particularly well (namely within an average 1% error bar with respect to spectroscopic data) to the 1s{sup 2}-2s{sup 2} orbital states of the 3{<=}Z{<=}9 atomic subsystems.
NASA Astrophysics Data System (ADS)
Denra, Raicharan; Paul, Samit; Sarkar, Susmita
2016-12-01
In this paper, characteristics of small amplitude nonlinear dust acoustic wave have been investigated in a unmagnetized, collisionless, Lorentzian dusty plasma where electrons and ions are inertialess and modeled by generalized Lorentzian Kappa distribution. Dust grains are inertial and equilibrium dust charge is negative. Both adiabatic and nonadiabatic fluctuation of charges on dust grains have been taken under consideration. For adiabatic dust charge variation reductive perturbation analysis gives rise to a KdV equation that governs the nonlinear propagation of dust acoustic waves having soliton solutions. For nonadiabatic dust charge variation nonlinear propagation of dust acoustic wave obeys KdV-Burger equation and gives rise to dust acoustic shock waves. Numerical estimation for adiabatic grain charge variation shows the existence of rarefied soliton whose amplitude and width varies with grain charges. Amplitude and width of the soliton have been plotted for different electron Kappa indices keeping ion velocity distribution Maxwellian. For non adiabatic dust charge variation, ratio of the coefficients of Burger term and dispersion term have been plotted against charge fluctuation for different kappa indices. All these results approach to the results of Maxwellian plasma if both electron and ion kappa tends to infinity.
Semiconductor drift chamber: an application of a novel charge transport scheme
Gatti, E.; Rehak, P.
1983-08-01
The purpose of this paper is to describe a novel charge tranport scheme in semiconductors in which the field responsible for the charge transport is independent of the depletion field. The application of the novel charge transport scheme leads to the following new semiconductor detectors: (1) Semiconductor Draft Chamber; (2) Ultra low capacitance - large semiconductor x-ray spectrometers and photodiodes; and (3) Fully depleted thick CCD. Special attention is paid to the concept of the Semiconductor Draft Chamber as a position sensing detector for high energy charged particles. Position resolution limiting factors are considered, and the values of the resolutions are given.
NASA Astrophysics Data System (ADS)
Rana, Meenakshi; Singla, Nidhi; Chatterjee, Amrita; Shukla, Abhishek; Chowdhury, Papia
2016-12-01
Nonlinear Optical (NLO) properties of amine functionalized tetraphenylethylene (TPE-NH2) have been recorded and analyzed. The structural geometry, bonding features, harmonic vibrational frequencies (FTIR and Raman) of TPE-NH2 have been investigated by B3LYP density functional theory (DFT). Charge (Mulliken and natural) analysis, natural bond orbital (NBO) analysis, frontier molecular orbitals (FMOs), 13C and 1H nuclear magnetic resonance (NMR) and molecular electrostatic potential (MEP) indicate the delocalization of charges over the donor-acceptor region by the increase of C-N bond length. The vibrational analysis on the basis of potential energy distribution (PED) confirms the charge transfer interaction between donor and acceptor groups, and that in turn validates the presence of the larger dipole moment (μ), polarizability and hyperpolarizabilities (α, β and γ) in TPE-NH2. Higher value of ionization potential (IP), electronegativity (χ), hardness (η), chemical potential (CP) and smaller HOMO-LUMO energy gap (Δε) validate TPE-NH2's strong candidature to be used as an NLO active material.
Nonlinear Charge and Current Neutralization of an Ion Beam Pulse in a Pre-formed Plasma
Igor D. Kaganovich; Gennady Shvets; Edward Startsev; Ronald C. Davidson
2001-01-30
The propagation of a high-current finite-length ion beam in a cold pre-formed plasma is investigated. The outcome of the calculation is the quantitative prediction of the degree of charge and current neutralization of the ion beam pulse by the background plasma. The electric magnetic fields generated by the ion beam are studied analytically for the nonlinear case where the plasma density is comparable in size with the beam density. Particle-in-cell simulations and fluid calculations of current and charge neutralization have been performed for parameters relevant to heavy ion fusion assuming long, dense beams with el >> V(subscript b)/omega(subscript b), where V(subscript b) is the beam velocity and omega subscript b is the electron plasma frequency evaluated with the ion beam density. An important conclusion is that for long, nonrelativistic ion beams, charge neutralization is, for all practical purposes, complete even for very tenuous background plasmas. As a result, the self-magnetic force dominates the electric force and the beam ions are always pinched during beam propagation in a background plasma.
NASA Astrophysics Data System (ADS)
Karmakar, P. K.; Borah, B.
2013-09-01
We try to present a theoretical evolutionary model leading to the excitations of nonlinear pulsational eigenmodes in a planar (1D) collisional dust molecular cloud (DMC) on the Jeans scale. The basis of the adopted model is the Jeans assumption of self-gravitating homogeneous uniform medium for simplification. It is a self-gravitating multi-fluid consisting of the Boltzmann distributed warm electrons and ions, and the inertial cold dust grains with partial ionization. Dust-charge fluctuations, convections and all the possible collisions are included. The grain-charge behaves as a dynamical variable owing mainly to the attachment of the electrons and ions to the grain-surfaces randomly. The adopted technique is centered around a mathematical model based on new solitary spectral patterns within the hydrodynamic framework. The collective dynamics of the patterns is governed by driven Korteweg-de Vries ( d-KdV) and Korteweg-de Vries (KdV) equations obtained by a standard multiscale analysis. Then, simplified analytical and numerical solutions are presented. The grain-charge fluctuation and collision processes play a key role in the DMC stability. The sensitive dependence of the eigenmode amplitudes on diverse relevant plasma parameters is discussed. The significance of the main results in astrophysical, laboratory and space environments are concisely summarized.
The role of space charge compensation for ion beam extraction and ion beam transport (invited)
Spädtke, Peter
2014-02-15
Depending on the specific type of ion source, the ion beam is extracted either from an electrode surface or from a plasma. There is always an interface between the (almost) space charge compensated ion source plasma, and the extraction region in which the full space charge is influencing the ion beam itself. After extraction, the ion beam is to be transported towards an accelerating structure in most cases. For lower intensities, this transport can be done without space charge compensation. However, if space charge is not negligible, the positive charge of the ion beam will attract electrons, which will compensate the space charge, at least partially. The final degree of Space Charge Compensation (SCC) will depend on different properties, like the ratio of generation rate of secondary particles and their loss rate, or the fact whether the ion beam is pulsed or continuous. In sections of the beam line, where the ion beam is drifting, a pure electrostatic plasma will develop, whereas in magnetic elements, these space charge compensating electrons become magnetized. The transport section will provide a series of different plasma conditions with different properties. Different measurement tools to investigate the degree of space charge compensation will be described, as well as computational methods for the simulation of ion beams with partial space charge compensation.
Water structure-dependent charge transport in proteins.
Gascoyne, P R; Pethig, R; Szent-Györgyi, A
1981-01-01
Dielectric and conductivity measurements are reported for bovine serum albumin as a function of hydration. Strong evidence is found for the existence of mobile charges whose short- and long-range hopping motion strongly depends on the physical state of the protein-bound water. These charges are considered to be protons. Insights into the nature of the electrical properties of protein-methylglyoxal complexes are provided, and the possibilities for correlated proton-electron motions are outlined. PMID:6264436
NASA Astrophysics Data System (ADS)
Mollinger, Sonya A.; Krajina, Brad; Noriega-Manez, Rodrigo J.; Salleo, Alberto; Spakowitz, Andrew J.
2015-10-01
Semiconducting polymers play an important role in a wide range of optical and electronic material applications. Polymer thin films that result in the highest performance typically have a complex semicrystalline morphology, indicating that considerable device improvement can be achieved through optimization of microstructural properties. However, the connection between molecular ordering and device performance is difficult to predict due to the current need for a mathematical theory of the physics that dictates charge transport in semiconducting polymers. It is experimentally suggested that efficient transport in such films occurs via connected networks of crystallites. We present an analytical and computational description of semicrystalline conjugated polymer materials that captures the impact of polymer conformation on charge transport in heterogeneous thin films. We first develop an analytical theory for the statistical behavior of a polymer emanating from a crystallite and predict the average distance to the first kink in the chain that traps a charge. We use this analysis to define the conditions for percolation and the consequent efficient transport through a semicrystalline material. We then establish a charge transport model using Monte Carlo simulations that predicts the multi-scale charge transport and crystallite connections. We approximate the thin film as a two-dimensional grid of crystallites embedded in amorphous polymer. The chain conformations in the amorphous region are determined by the wormlike chain model, and the crystallites are assigned fixed mobilities. We use this model to identify limits of charge transport at various time scales for varying fraction of crystallinity.
Electronic transport in disordered chains with saturable nonlinearity
NASA Astrophysics Data System (ADS)
dos Santos, J. L. L.; Nguyen, Ba Phi; de Moura, F. A. B. F.
2015-10-01
In this work we study numerically the dynamics of an initially localized wave packet in one-dimensional disordered chains with saturable nonlinearity. By using the generalized discrete nonlinear Schrödinger equation, we calculate two different physical quantities as a function of time, which are the participation number and the mean square displacement from the excitation site. From detailed numerical analysis, we find that the saturable nonlinearity can promote a sub-diffusive spreading of the wave packet even in the presence of diagonal disorder for a long time. In addition, we also investigate the effect of the saturated nonlinearity for initial times of the electronic evolution thus showing the possibility of mobile breather-like modes.
Nonlinear phenomena, turbulence and anomalous transport in fusion plasmas
Hidalgo, C.; Estrada, T.; Sanchez, E.; Branas, B.; Garcia-Cortes, I.; Van Milligen, B.P.; Balbin, R.; Pedrosa, M.A.; Sanchez, J.; Carreras, B.A.
1995-02-01
The nonlinear nature of the plasma turbulence, as measured by bicoherence analysis, has been studied in stellarator (ATF and W7AS) and tokamak (PBXM) devices. In ATF, little nonlinear interaction is found in the scrape-off layer region whereas the strength of the coupling is enhanced in the edge plasma region where the level of fluctuations is consistent with the theoretical expectations from resistive interchange modes. In W7AS the level of bicoherence is significantly smaller than in ATF. The comparison ATF/W7AS/PBXM suggest the important role of the magnetic shear to determine nonlinear behavior of the turbulence. The level of bicoherence also depends on the plasma conditions: in particular, it increases at the H-mode transition. The comparison between the nonlinear behavior of the turbulence in tokamaks and stellarators allows experimental verification of theoretical turbulence models.
Lateral charge transport from heavy-ion tracks in integrated circuit chips
NASA Technical Reports Server (NTRS)
Zoutendyk, J. A.; Schwartz, H. R.; Nevill, L. R.
1988-01-01
A 256K DRAM has been used to study the lateral transport of charge (electron-hole pairs) induced by direct ionization from heavy-ion tracks in an IC. The qualitative charge transport has been simulated using a two-dimensional numerical code in cylindrical coordinates. The experimental bit-map data clearly show the manifestation of lateral charge transport in the creation of adjacent multiple-bit errors from a single heavy-ion track. The heavy-ion data further demonstrate the occurrence of multiple-bit errors from single ion tracks with sufficient stopping power. The qualitative numerical simulation results suggest that electric-field-funnel-aided (drift) collection accounts for single error generated by an ion passing through a charge-collecting junction, while multiple errors from a single ion track are due to lateral diffusion of ion-generated charge.
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.
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.
Electron transport and dielectric breakdown in silicon nitride using a charge transport model
NASA Astrophysics Data System (ADS)
Ogden, Sean P.; Lu, Toh-Ming; Plawsky, Joel L.
2016-10-01
Silicon nitride is an important material used in the electronics industry. As such, the electronic transport and reliability of these materials are important to study and understand. We report on a charge transport model to predict leakage current and failure trends based on previously published data for a stoichiometric silicon nitride dielectric. Failure occurs when the defect density increases to a critical value of approximately 6 × 1025 traps/m3. The model's parameters are determined using voltage ramp data only, and yet, the model is also able to predict constant voltage stress failure over a time scale ranging from minutes to months. The successful fit of the model to the experimental data validates our assumption that the dominant defect in the dielectric is the Si dangling bond, located approximately 2.2 eV below the conduction band. A comparison with previous SiCOH simulations shows SiN and SiCOH have similar defect-related material properties. It is also speculated that, based on the estimated parameter values of 2.75 eV for the defect formation activation energy, the materials' TDDB wear-out are caused by broken Si-H bonds, resulting in Si dangling bond defects.
Generation and transport of space charge waves in the University of Maryland Electron Ring (UMER)
Thangaraj, Jayakar C. T.; Beaudoin, Brian; Feldman, Donald; Kishek, Rami; Bernal, Santiago; Sutter, David; Reiser, Martin; O'Shea, Patrick
2009-01-22
An experimental study of longitudinal dynamics of space charge dominated beams is presented. We use drive-laser driven perturbations to study the evolution of space charge waves on an intese electron beam. Collective effects like propagation of space charge waves, superposition of waves and crossing of waves are presented and verified with 1-D cold fluid model theory. Multi-turn transport and other collective effects in UMER are discussed.
Charge carrier transport in polycrystalline organic thin film based field effect transistors
NASA Astrophysics Data System (ADS)
Rani, Varsha; Sharma, Akanksha; Ghosh, Subhasis
2016-05-01
The charge carrier transport mechanism in polycrystalline thin film based organic field effect transistors (OFETs) has been explained using two competing models, multiple trapping and releases (MTR) model and percolation model. It has been shown that MTR model is most suitable for explaining charge carrier transport in grainy polycrystalline organic thin films. The energetic distribution of traps determined independently using Mayer-Neldel rule (MNR) is in excellent agreement with the values obtained by MTR model for copper phthalocyanine and pentacene based OFETs.
Simulation of charge transport in pixelated CdTe
NASA Astrophysics Data System (ADS)
Kolstein, M.; Ariño, G.; Chmeissani, M.; De Lorenzo, G.
2014-12-01
The Voxel Imaging PET (VIP) Pathfinder project intends to show the advantages of using pixelated semiconductor technology for nuclear medicine applications to achieve an improved image reconstruction without efficiency loss. It proposes designs for Positron Emission Tomography (PET), Positron Emission Mammography (PEM) and Compton gamma camera detectors with a large number of signal channels (of the order of 106). The design is based on the use of a pixelated CdTe Schottky detector to have optimal energy and spatial resolution. An individual read-out channel is dedicated for each detector voxel of size 1 × 1 × 2 mm3 using an application-specific integrated circuit (ASIC) which the VIP project has designed, developed and is currently evaluating experimentally. The behaviour of the signal charge carriers in CdTe should be well understood because it has an impact on the performance of the readout channels. For this purpose the Finite Element Method (FEM) Multiphysics COMSOL software package has been used to simulate the behaviour of signal charge carriers in CdTe and extract values for the expected charge sharing depending on the impact point and bias voltage. The results on charge sharing obtained with COMSOL are combined with GAMOS, a Geant based particle tracking Monte Carlo software package, to get a full evaluation of the amount of charge sharing in pixelated CdTe for different gamma impact points.
Simulation of charge transport in pixelated CdTe
Kolstein, M.; Ariño, G.; Chmeissani, M.; De Lorenzo, G.
2014-01-01
The Voxel Imaging PET (VIP) Pathfinder project intends to show the advantages of using pixelated semiconductor technology for nuclear medicine applications to achieve an improved image reconstruction without efficiency loss. It proposes designs for Positron Emission Tomography (PET), Positron Emission Mammography (PEM) and Compton gamma camera detectors with a large number of signal channels (of the order of 106). The design is based on the use of a pixelated CdTe Schottky detector to have optimal energy and spatial resolution. An individual read-out channel is dedicated for each detector voxel of size 1 × 1 × 2 mm3 using an application-specific integrated circuit (ASIC) which the VIP project has designed, developed and is currently evaluating experimentally. The behaviour of the signal charge carriers in CdTe should be well understood because it has an impact on the performance of the readout channels. For this purpose the Finite Element Method (FEM) Multiphysics COMSOL software package has been used to simulate the behaviour of signal charge carriers in CdTe and extract values for the expected charge sharing depending on the impact point and bias voltage. The results on charge sharing obtained with COMSOL are combined with GAMOS, a Geant based particle tracking Monte Carlo software package, to get a full evaluation of the amount of charge sharing in pixelated CdTe for different gamma impact points. PMID:25729404
Simulation of charge transport in pixelated CdTe.
Kolstein, M; Ariño, G; Chmeissani, M; De Lorenzo, G
2014-12-01
The Voxel Imaging PET (VIP) Pathfinder project intends to show the advantages of using pixelated semiconductor technology for nuclear medicine applications to achieve an improved image reconstruction without efficiency loss. It proposes designs for Positron Emission Tomography (PET), Positron Emission Mammography (PEM) and Compton gamma camera detectors with a large number of signal channels (of the order of 10(6)). The design is based on the use of a pixelated CdTe Schottky detector to have optimal energy and spatial resolution. An individual read-out channel is dedicated for each detector voxel of size 1 × 1 × 2 mm(3) using an application-specific integrated circuit (ASIC) which the VIP project has designed, developed and is currently evaluating experimentally. The behaviour of the signal charge carriers in CdTe should be well understood because it has an impact on the performance of the readout channels. For this purpose the Finite Element Method (FEM) Multiphysics COMSOL software package has been used to simulate the behaviour of signal charge carriers in CdTe and extract values for the expected charge sharing depending on the impact point and bias voltage. The results on charge sharing obtained with COMSOL are combined with GAMOS, a Geant based particle tracking Monte Carlo software package, to get a full evaluation of the amount of charge sharing in pixelated CdTe for different gamma impact points.
NASA Astrophysics Data System (ADS)
Dymnikova, Irina; Galaktionov, Evgeny
2016-03-01
In nonlinear electrodynamics minimally coupled to gravity, regular spherically symmetric electrically charged solutions satisfy the weak energy condition and have obligatory de Sitter center. By the Gürses-Gürsey algorithm they are transformed to regular axially symmetric solutions asymptotically Kerr-Newman for a distant observer. Rotation transforms de Sitter center into de Sitter equatorial disk embedded as a bridge into a de Sitter vacuum surface. The de Sitter surfaces satisfy p = -ρ and have properties of a perfect conductor and ideal diamagnetic. The Kerr ring singularity is replaced with the superconducting current which serves as a non-dissipative electromagnetic source of the asymptotically Kerr-Newman geometry. Violation of the weak energy condition is prevented by the basic requirement of electrodynamics of continued media.
NASA Astrophysics Data System (ADS)
Demidov, E. S.; Gusev, S. N.; Podol'skii, V. V.; Lesnikov, V. P.; Sdobnyakov, V. V.; Budarin, L. I.; Tronov, A. A.; Skopin, E. V.
2013-07-01
The electron transport properties of nanosized CoSi alloy layers deposited at a lowered temperature (350°C) from laser plasma onto single-crystalline gallium arsenide have been studied. An asymmetry of the current-voltage characteristic (CVC) in the longitudinal current transport in such layers has been found, which indicates the spin polarization of charge carriers, and a substantial (up to 18%) nonlinearity and a hysteresis (up to 4%) have been revealed both at room temperature and at 77 K for comparatively low current densities (up to 5 × 104 A/cm2). In repeated cycles of CVC measurements at 77 K, irreversible changes in the properties of the layers have been observed.
NASA Astrophysics Data System (ADS)
Filicori, Fabio; Traverso, Pier Andrea; Florian, Corrado; Borgarino, Mattia
2004-05-01
The basic features of the recently proposed Charge-Controlled Non-linear Noise (CCNN) model for the prediction of low-to-high-frequency noise up-conversion in electron devices under large-signal RF operation are synthetically presented. It is shown that the different noise generation phenomena within the device can be described by four equivalent noise sources, which are connected at the ports of a "noiseless" device model and are non-linearly controlled by the time-varying instantaneous values of the intrinsic device voltages. For the empirical identification of the voltage-controlled equivalent noise sources, different possible characterization procedures, based not only on conventional low-frequency noise data, but also on different types of noise measurements carried out under large-signal RF operating conditions are discussed. As an example of application, the measurement-based identification of the CCNN model for a GaInP heterojunction bipolar microwave transistor is presented. Preliminary validation results show that the proposed model can describe with adequate accuracy not only the low-frequency noise of the HBT, but also its phase-noise performance in a prototype VCO implemented by using the same monolithic GaAs technology.
Simulation of charged particle transport on the MPP
NASA Technical Reports Server (NTRS)
Earl, James A.
1987-01-01
Computations of cosmic ray transport based upon finite difference methods are afflicted by instabilities, inaccuracies, and artifacts. To avoid these problems, a Monte Carlo formulation was developed which is closely related not only to the finite difference formulation, but also to the underlying physics of transport phenomena. Implementations of this approach are currently running on the Massively Parallel Processor at Goddard, whose enormous computing power overwhelms the poor statistical accuracy that usually limits the use of stochastic methods. In a Monte Carlo simulation of rectilinear transport, the coherent and diffusive effects that appeared are in good quantitative agreement with both finite difference and analytical calculations.
List, Nanna Holmgaard; Zaleśny, Robert; Murugan, N Arul; Kongsted, Jacob; Bartkowiak, Wojciech; Ågren, Hans
2015-09-08
We establish the relationships between the metric of charge transfer excitation (Δr) for the bright ππ* state and the two-photon absorption probability as well as the first hyperpolarizability for two families of push-pull π-conjugated systems. As previously demonstrated by Guido et al. (J. Chem. Theory Comput. 2013, 9, 3118-3126), Δr is a measure for the average hole-electron distance upon excitation and can be used to discriminate between short- and long-range electronic excitations. We indicate two new benefits from using this metric for the analyses of nonlinear optical properties of push-pull systems. First, the two-photon absorption probability and the first hyperpolarizability are found to be interrelated through Δr; if β ∼ (Δr)(k), then roughly, δ(TPA) ∼ (Δr)(k+1). Second, a simple power relation between Δr and the molecular hyperpolarizabilities of push-pull systems offers the possibility of estimating properties for longer molecular chains without performing calculations of high-order response functions explicitly. We further demonstrate how to link the hyperpolarizabilities with the chain length of the push-pull π-conjugated systems through the metric of charge transfer.
Nonlinear electrostatic excitations of charged dust in degenerate ultra-dense quantum dusty plasmas
Abdelsalam, U. M.; Ali, S.; Kourakis, I.
2012-06-15
The linear and nonlinear properties of low-frequency electrostatic excitations of charged dust particles (or defects) in a dense collisionless, unmagnetized Thomas-Fermi plasma are investigated. A fully ionized three-component model plasma consisting of electrons, ions, and negatively charged massive dust grains is considered. Electrons and ions are assumed to be in a degenerate quantum state, obeying the Thomas-Fermi density distribution, whereas the inertial dust component is described by a set of classical fluid equations. Considering large-amplitude stationary profile travelling-waves in a moving reference frame, the fluid evolution equations are reduced to a pseudo-energy-balance equation, involving a Sagdeev-type potential function. The analysis describes the dynamics of supersonic dust-acoustic solitary waves in Thomas-Fermi plasmas, and provides exact predictions for their dynamical characteristics, whose dependence on relevant parameters (namely, the ion-to-electron Fermi temperature ratio, and the dust concentration) is investigated. An alternative route is also adopted, by assuming weakly varying small-amplitude disturbances off equilibrium, and then adopting a multiscale perturbation technique to derive a Korteweg-de Vries equation for the electrostatic potential, and finally solving in terms for electric potential pulses (electrostatic solitons). A critical comparison between the two methods reveals that they agree exactly in the small-amplitude, weakly superacoustic limit. The dust concentration (Havnes) parameter h=Z{sub d0}n{sub d0}/n{sub e0} affects the propagation characteristics by modifying the phase speed, as well as the electron/ion Fermi temperatures. Our results aim at elucidating the characteristics of electrostatic excitations in dust-contaminated dense plasmas, e.g., in metallic electronic devices, and also arguably in supernova environments, where charged dust defects may occur in the quantum plasma regime.
Gate-voltage-dependent charge transport in multi-dispersed polymer thin films
NASA Astrophysics Data System (ADS)
Zhou, Ling; Bu, Laju; Li, Dongfan; Lu, Guanghao
2017-02-01
In semiconductor polymers, charge transport usually occurs via hopping between localized states, which are generally multi-dispersed due to multi-dispersed chemical structures, crystallinities, and phase segregations. We report a combined modeling and experimental study to investigate gate-voltage-dependent charge transport in field-effect transistors based on multi-dispersed polymers including semiconductor:semiconductor and semiconductor:insulator blends. Film-depth-dependent charge accumulation and transport are correlated with vertical composition profiles and film-depth-dependent energetic distribution of localized states. Even low gate-voltage could accumulate charges in any depth of the films, greatly increasing charge density in some (sub-) components for effective charge transport. Therefore, neither overall high crystallinity nor molecular ordering near the semiconductor-dielectric interface is necessarily required for high field-effect mobility (μFET). This study not only proposes a model for high effective μFET recently reported in some nearly amorphous polymer films and the "bislope feature" in their transfer characteristics but also helps improve transistor performances and exploit transistor operations via manipulating charge distribution in multi-dispersed films.
Kwan, T.; Booth, T.; Gray, M.
1996-07-01
This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The next generation of electronic microchips will utilize components with sub-micron feature size and optoelectronic devices with picosecond response time. Fundamental understanding of the device performance can only be obtained through first principles physics modeling of charge transport and electromagnetic effects in realistic geometries with material interfaces and dispersive properties. We have developed a general model incorporating important physics such as charge transport processes in materials with multilevel band structures and electromagnetic effects to simulate device characteristics. Accurate treatment of material interfaces and boundaries is included. The Monte Carlo charge transport is coupled self-consistently to Maxwell`s equations to accurately model scattering processes in the presence of an externally biased potential. This detailed multidimensional simulation capability is compared with and verified by experimental data, and could become an industrial standard for benchmarking and improving the {open_quotes}reduced model{close_quotes} codes used for semiconductor design. Specific tasks are the extension of existing capabilities in particle-in-cell plasma simulation technique and Monte Carlo charge transport to study the physics of charged particle dynamics in realistic microelectronic devices, such as bipolar semiconductors, heterojunction transistors, and optoelectronic switches. Our approach has been based on the coupled particle-in-cell/Monte Carlo technique, which can simultaneously treat both electromagnetic wave propagation and charged-particle transport.
A general relationship between disorder, aggregation and charge transport in conjugated polymers.
Noriega, Rodrigo; Rivnay, Jonathan; Vandewal, Koen; Koch, Felix P V; Stingelin, Natalie; Smith, Paul; Toney, Michael F; Salleo, Alberto
2013-11-01
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.
Fan, Haijun; Zhang, Maojie; Guo, Xia; Li, Yongfang; Zhan, Xiaowei
2011-09-01
Understanding effect of morphology on charge carrier transport within polymer/fullerene bulk heterojunction is necessary to develop high-performance polymer solar cells. In this work, we synthesized a new benzodithiophene-based polymer with good self-organization behavior as well as favorable morphology evolution of its blend films with PC(71)BM under improved processing conditions. Charge carrier transport behavior of blend films was characterized by space charge limited current method. Evolved blend film morphology by controlling blend composition and additive content gradually reaches an optimized state, featured with nanoscale fibrilla polymer phase in moderate size and balanced mobility ratio close to 1:1 for hole and electron. This optimized morphology toward more balanced charge carrier transport accounts for the best power conversion efficiency of 3.2%, measured under simulated AM 1.5 solar irradiation 100 mW/cm(2), through enhancing short circuit current and reducing geminate recombination loss.
Analysis of the Contribution of Charge Transport in Iodine-125 induced DNA Damage
Ndlebe, Thabisile; Panyutin, Igor; Neumann, Ronald
2009-01-01
Auger electron emitters, like iodine-125, are the radionuclides of choice for gene-targeted radiotherapy. The highly localized damage they induced in DNA is produced by three mechanisms: direct damage by the emitted Auger electrons, indirect damage by diffusible free radicals produced by Auger electrons travelling in water, and charge neutralization of the residual, highly positively charged, tellurium daughter atom by stripping electrons from covalent bonds of neighboring residues. The purpose of our work was to determine whether these mechanisms proceed through an intermediate energy transfer step along DNA. It was proposed that this intermediate step proceeds through the charge transport mechanism in DNA. Conventional charge transport has been described as either a hopping mechanism initiated by charge injection into DNA and propagated by charge migration along the DNA, or a tunneling mechanism in which charge moves directly from a donor to an acceptor within DNA. Well-known barriers for the hopping mechanism were used to probe the role of charge transport in 125I induced DNA damage. We studied their effect on the distribution of DNA breaks produced by the decay of iodine-125 in samples frozen at −80°C. We found that these barriers had no measurable effect on the iodine-125 breaks distribution. PMID:20041764
NASA Astrophysics Data System (ADS)
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.
Charge transport-driven selective oxidation of graphene.
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
2016-06-02
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.
Teschome, Bezu; Facsko, Stefan; Schönherr, Tommy; Kerbusch, Jochen; Keller, Adrian; Erbe, Artur
2016-10-11
DNA origami nanostructures have been used extensively as scaffolds for numerous applications such as for organizing both organic and inorganic nanomaterials, studying single molecule reactions, and fabricating photonic devices. Yet, little has been done toward the integration of DNA origami nanostructures into nanoelectronic devices. Among other challenges, the technical difficulties in producing well-defined electrical contacts between macroscopic electrodes and individual DNA origami-based nanodevices represent a serious bottleneck that hinders the thorough characterization of such devices. Therefore, in this work, we have developed a method to electrically contact individual DNA origami-based metallic nanowires using electron beam lithography. We then characterize the charge transport of such nanowires in the temperature range from room temperature down to 4.2 K. The room temperature charge transport measurements exhibit ohmic behavior, whereas at lower temperatures, multiple charge transport mechanisms such as tunneling and thermally assisted transport start to dominate. Our results confirm that charge transport along metallized DNA origami nanostructures may deviate from pure metallic behavior due to several factors including partial metallization, seed inhomogeneities, impurities, and weak electronic coupling among AuNPs. Besides, this study further elucidates the importance of variable temperature measurements for determining the dominant charge transport mechanisms for conductive nanostructures made by self-assembly approaches.
High-frequency acoustic charge transport in GaAs nanowires.
Büyükköse, S; Hernández-Mínguez, A; Vratzov, B; Somaschini, C; Geelhaar, L; Riechert, H; van der Wiel, W G; Santos, P V
2014-04-04
The oscillating piezoelectric fields accompanying surface acoustic waves are able to transport charge carriers in semiconductor heterostructures. Here, we demonstrate high-frequency (above 1 GHz) acoustic charge transport in GaAs-based nanowires deposited on a piezoelectric substrate. The short wavelength of the acoustic modulation, smaller than the length of the nanowire, allows the trapping of photo-generated electrons and holes at the spatially separated energy minima and maxima of conduction and valence bands, respectively, and their transport along the nanowire with a well defined acoustic velocity towards indium-doped recombination centers.
Observation of complete space-charge-limited transport in metal-oxide-graphene heterostructure
Chen, Wei; Wang, Fei; Fang, Jingyue; Wang, Guang; Qin, Shiqiao; Zhang, Xue-Ao E-mail: xazhang@nudt.edu.cn; Wang, Chaocheng; Wang, Li E-mail: xazhang@nudt.edu.cn
2015-01-12
The metal-oxide-graphene heterostructures have abundant physical connotations. As one of the most important physical properties, the electric transport property of the gold-chromium oxide-graphene heterostructure has been studied. The experimental measurement shows that the conductive mechanism is dominated by the space-charge-limited transport, a kind of bulk transport of an insulator with charge traps. Combining the theoretical analysis, some key parameters such as the carrier mobility and trap energy also are obtained. The study of the characteristics of the metal-oxide-graphene heterostructures is helpful to investigate the graphene-based electronic and photoelectric devices.
Ha, Dong -Gwang; Kim, Jang -Joo; Baldo, Marc A.
2016-04-29
Mixed host compositions that combine charge transport materials with luminescent dyes offer superior control over exciton formation and charge transport in organic light emitting devices (OLEDs). Two approaches are typically used to optimize the fraction of charge transport materials in a mixed host composition: either an empirical percolative model, or a hopping transport model. We show that these two commonly-employed models are linked by an analytic expression which relates the localization length to the percolation threshold and critical exponent. The relation is confirmed both numerically and experimentally through measurements of the relative conductivity of Tris(4-carbazoyl-9-ylphenyl) amine (TCTA) :1,3-bis(3,5-dipyrid-3-yl-phenyl) benzene (BmPyPb) mixtures with different concentrations, where the TCTA plays a role as hole conductor and the BmPyPb as hole insulator. Furthermore, the analytic relation may allow the rational design of mixed layers of small molecules for high-performance OLEDs.
Acoustic charge transport induced by the surface acoustic wave in chemical doped graphene
NASA Astrophysics Data System (ADS)
Zheng, Shijun; Zhang, Hao; Feng, Zhihong; Yu, Yuanyuan; Zhang, Rui; Sun, Chongling; Liu, Jing; Duan, Xuexin; Pang, Wei; Zhang, Daihua
2016-10-01
A graphene/LiNbO3 hybrid device is used to investigate the acoustic induced charge transport in chemical doped graphene. The chemical doping of graphene via its physisorption of gas molecules affects the surface acoustic wave (SAW) charge carrier transport in a manner different from electric field drift. That transport induces doping dependent macroscopic acoustoelectric current. The chemical doping can manipulate majority carriers and induces unique acoustoelectric features. The observation is explained by a classical relaxation model. Eventually the device based on acoustoelectric current is proved to outperform the common chemiresistor for chemicals. Our finding provides insight into acoustic charge carrier transport during chemical doping. The doping affects interaction of carriers with SAW phonon and facilitates the understanding of nanoscale acoustoelectric effect. The exploration inspires potential acoustoelectric application for chemical detection involving emerging 2D nanomaterials.
Quasiclassical theory of charge transport in disordered interacting electron systems
NASA Astrophysics Data System (ADS)
Schwab, P.; Raimondi, R.
2003-10-01
We consider the corrections to the Boltzmann theory of electrical transport arising from the Coulomb interaction in disordered conductors. In this article the theory is formulated in terms of quasiclassical Green's functions. We demonstrate that the formalism is equivalent to the conventional diagrammatic technique by deriving the well-known Altshuler-Aronov corrections to the conductivity. Compared to the conventional approach, the quasiclassical theory has the advantage of being closer to the Boltzmann theory, and also allows description of interaction effects in the transport across interfaces, as well as non-equilibrium phenomena in the same theoretical framework. As an example, by applying the Zaitsev boundary conditions which were originally developed for superconductors, we obtain the P(E)-theory of the Coulomb blockade in tunnel junctions. Furthermore we summarize recent results obtained for the non-equilibrium transport in thin films, wires and fully coherent conductors.
Temperature dependence of charge transport in conjugated single molecule junctions
NASA Astrophysics Data System (ADS)
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.
Charge transport in photochemically modified molecularly doped polymers
NASA Astrophysics Data System (ADS)
Stasiak, James W.; Storch, Teresa J.; Mao, Erji
1995-08-01
Hole mobilities in p-diethylaminobenzaldehyde diphenylhydrazone (DEH) doped polycarbonate films are determined using the time-of-flight transient photocurrent technique. Measurements of hole transport parameters are determined over a range of electric fields before and after the samples are deliberately irradiated with UV light. UV irradiation of the hole transport molecule DEH results in the creation of a photoproduct, 1-phenyl-3-(4- diethylamino-1-phenyl)-1, 3-indazole with moderately high efficiency. Once formed, this photoproduct has been shown to act as a barrier to hole conduction. We exploit this photochemical reaction to examine the hole transport properties in a molecularly doped polymer system containing DEH doped polycarbonate. We propose that the increase in concentration of the photoproduct modifies the intrinsic order of the system and provides a unique probe to distinguish between the disorder formalism of Baessler and coworkers and models which propose polaron formation.
Effect of nonlinear instability on gravity-wave momentum transport
NASA Technical Reports Server (NTRS)
Dunkerton, Timothy J.
1987-01-01
This paper investigates the nonlinear instability of internal gravity waves and the effects of their nonlinear interaction on momentum flux, using simple theoretical and numerical models. From the result of an analysis of parametric instability of a two-dimensional internal gravity wave as discussed by Yeh and Liu (1981) and Klostermeyer (1982), a group trajectory length scale for a gravity wave packet was determined, expressed in terms of the dominant vertical wavelenght and the degree of convective saturation. It is shown that this analysis justifies the Eikonal saturation method for relatively transient packets, that are well below the saturation amplitude, propagating in a slowly varying mean flow. Conversely, linear theory fails for persistent disturbances and trasient wave packets near convective saturation.
Charge transport-driven selective oxidation of graphene
NASA Astrophysics Data System (ADS)
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
NASA Astrophysics Data System (ADS)
Bozyigit, Deniz; Lin, Weyde M. M.; Yazdani, Nuri; Yarema, Olesya; Wood, Vanessa
2015-01-01
Improving devices incorporating solution-processed nanocrystal-based semiconductors requires a better understanding of charge transport in these complex, inorganic-organic materials. Here we perform a systematic study on PbS nanocrystal-based diodes using temperature-dependent current-voltage characterization and thermal admittance spectroscopy to develop a model for charge transport that is applicable to different nanocrystal-solids and device architectures. Our analysis confirms that charge transport occurs in states that derive from the quantum-confined electronic levels of the individual nanocrystals and is governed by diffusion-controlled trap-assisted recombination. The current is limited not by the Schottky effect, but by Fermi-level pinning because of trap states that is independent of the electrode-nanocrystal interface. Our model successfully explains the non-trivial trends in charge transport as a function of nanocrystal size and the origins of the trade-offs facing the optimization of nanocrystal-based solar cells. We use the insights from our charge transport model to formulate design guidelines for engineering higher-performance nanocrystal-based devices.
Yang, Meng; Yang, Xiaohai; Wang, Kemin; Wang, Qing; Fan, Xin; Liu, Wei; Liu, Xizhen; Liu, Jianbo; Huang, Jin
2015-02-03
The transport of ionic species through a nanochannel plays important roles in fundamental research and practical applications of the nanofluidic device. Here, we demonstrated that ionic transport selectivity of a positively charged nanochannel membrane can be tuned under a phosphoric acid gradient. When phosphoric acid solution and analyte solution were connected by the positively charged nanochannel membrane, the faster-moving analyte through the positively charged nanochannel membrane was the positively charged dye (methylviologen, MV(2+)) instead of the negatively charged dye (1,5-naphthalene disulfonate, NDS(2-)). In other words, a reversed ion selectivity of the nanochannel membranes can be found. It can be explained as a result of the combination of diffusion, induced electroosmosis, and induced electrophoresis. In addition, the influencing factors of transport selectivity, including concentration of phosphoric acid, penetration time, and volume of feed solution, were also investigated. The results showed that the transport selectivity can further be tuned by adjusting these factors. As a method of tuning ionic transport selectivity by establishing phosphoric acid gradient, it will be conducive to improving the separation of ionic species.
Effect of film nanostructure on in-plane charge transport in organic bulk heterojunction materials
NASA Astrophysics Data System (ADS)
Danielson, Eric; Ooi, Zi-En; Dodabalapur, Ananth
2013-09-01
Bulk heterojunction (BHJ) organic solar cells are a promising alternative energy technology, but a thorough understanding of charge transport behavior in BHJ materials is necessary in order to design devices with high power conversion efficiencies. Parameters such as carrier mobilities, carrier concentrations, and the recombination coefficient have traditionally been successfully measured using vertical structures similar to organic photovoltaic (OPV) cells. We have developed a lateral BHJ device which complements these vertical techniques by allowing spatially resolved measurement along the transport direction of charge carriers. This is essential for evaluating the effect of nanoscale structure and morphology on these important charge transport parameters. Nanomorphology in organic BHJ films has been controlled using a variety of methods, but the effect of these procedures has been infrequently correlated with the charge transport parameter of the BHJ material. Electron beam lithography has been used to create lateral device structures with many voltage probes at a sub-micron resolution throughout the device channel. By performing in-situ potentiometry, we can calculate both carrier mobilities and determine the effect of solvent choice and annealing procedure on the charge transport in BHJ system. Spin coated P3HT:PCBM films prepared from solutions in chloroform and o-xylene are characterized using this technique.
Bozyigit, Deniz; Lin, Weyde M. M.; Yazdani, Nuri; Yarema, Olesya; Wood, Vanessa
2015-01-01
Improving devices incorporating solution-processed nanocrystal-based semiconductors requires a better understanding of charge transport in these complex, inorganic–organic materials. Here we perform a systematic study on PbS nanocrystal-based diodes using temperature-dependent current–voltage characterization and thermal admittance spectroscopy to develop a model for charge transport that is applicable to different nanocrystal-solids and device architectures. Our analysis confirms that charge transport occurs in states that derive from the quantum-confined electronic levels of the individual nanocrystals and is governed by diffusion-controlled trap-assisted recombination. The current is limited not by the Schottky effect, but by Fermi-level pinning because of trap states that is independent of the electrode–nanocrystal interface. Our model successfully explains the non-trivial trends in charge transport as a function of nanocrystal size and the origins of the trade-offs facing the optimization of nanocrystal-based solar cells. We use the insights from our charge transport model to formulate design guidelines for engineering higher-performance nanocrystal-based devices. PMID:25625647
Charged Particle Transport in High-Energy-Density Matter
NASA Astrophysics Data System (ADS)
Stanton, Liam; Murillo, Michael
2016-10-01
Transport coefficients for dense plasmas have been numerically computed using an effective Boltzmann approach. We have developed a simplified effective potential approach that yields accurate fits for all of the relevant cross sections and collision integrals. Our results have been validated with molecular dynamics simulations for self-diffusion, interdiffusion, viscosity, thermal conductivity and stopping power. Molecular dynamics has also been used to examine the underlying assumptions of the Boltzmann approach through a categorization of behaviors of the velocity autocorrelation function in the Yukawa phase diagram. Using a velocity-dependent screening model, we examine the role of dynamical screening in transport as well. Implications of these results for Coulomb logarithm approaches are discussed. This work is performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Charge transport and localization in atomically coherent quantum dot solids
NASA Astrophysics Data System (ADS)
Whitham, Kevin; Yang, Jun; Savitzky, Benjamin H.; Kourkoutis, Lena F.; Wise, Frank; Hanrath, Tobias
2016-05-01
Epitaxial attachment of quantum dots into ordered superlattices enables the synthesis of quasi-two-dimensional materials that theoretically exhibit features such as Dirac cones and topological states, and have major potential for unprecedented optoelectronic devices. Initial studies found that disorder in these structures causes localization of electrons within a few lattice constants, and highlight the critical need for precise structural characterization and systematic assessment of the effects of disorder on transport. Here we fabricated superlattices with the quantum dots registered to within a single atomic bond length (limited by the polydispersity of the quantum dot building blocks), but missing a fraction (20%) of the epitaxial connections. Calculations of the electronic structure including the measured disorder account for the electron localization inferred from transport measurements. The calculations also show that improvement of the epitaxial connections will lead to completely delocalized electrons and may enable the observation of the remarkable properties predicted for these materials.
Charge transport in disordered films of non-redox proteins
NASA Astrophysics Data System (ADS)
Pompa, P. P.; Della Torre, A.; del Mercato, L. L.; Chiuri, R.; Bramanti, A.; Calabi, F.; Maruccio, G.; Cingolani, R.; Rinaldi, R.
2006-07-01
Electrical conduction in solid state disordered multilayers of non-redox proteins is demonstrated by two-terminal transport experiments at the nanoscale and by scanning tunneling microscopy (STM/STS experiments). We also show that the conduction of the biomolecular films can be modulated by means of a gate field. These results may lead to the implementation of protein-based three-terminal nanodevices and open important new perspectives for a wide range of bioelectronic/biosensing applications.
Computer-aided analysis of nonlinear problems in transport phenomena
NASA Technical Reports Server (NTRS)
Brown, R. A.; Scriven, L. E.; Silliman, W. J.
1980-01-01
The paper describes algorithms for equilibrium and steady-state problems with coefficients in the expansions derived by the Galerkin weighted residual method and calculated from the resulting sets of nonlinear algebraic equations by the Newton-Raphson method. Initial approximations are obtained from nearby solutions by continuation techniques as parameters are varied. The Newton-Raphson technique is preferred because the Jacobian of the solution is useful for continuation, for analyzing the stability of solutions, for detecting bifurcation of solution families, and for computing asymptotic estimates of the effects on any solution of small changes in parameters, boundary conditions, and boundary shape.
Nonlinear photon-assisted tunneling transport in optical gap antennas.
Stolz, Arnaud; Berthelot, Johann; Mennemanteuil, Marie-Maxime; Colas des Francs, Gérard; Markey, Laurent; Meunier, Vincent; Bouhelier, Alexandre
2014-05-14
We introduce strongly coupled optical gap antennas to interface optical radiation with current-carrying electrons at the nanoscale. The transducer relies on the nonlinear optical and electrical properties of an optical gap antenna operating in the tunneling regime. We discuss the underlying physical mechanisms controlling the conversion involving d-band electrons and demonstrate that a simple two-wire optical antenna can provide advanced optoelectronic functionalities beyond tailoring the electromagnetic response of a single emitter. Interfacing an electronic command layer with a nanoscale optical device may thus be facilitated by the optical rectennas discussed here.
Peterson, J. L.; Hammet, G. W.; Mikkelsen, D. R.; Yuh, H. Y.; Candy, J.; Guttenfelder, W.; Kaye, S. M.; LeBlanc, B.
2011-05-11
The first nonlinear gyrokinetic simulations of electron internal transport barriers (e-ITBs) in the National Spherical Torus Experiment show that reversed magnetic shear can suppress thermal transport by increasing the nonlinear critical gradient for electron-temperature-gradient-driven turbulence to three times its linear critical value. An interesting feature of this turbulence is non- linearly driven off-midplane radial streamers. This work reinforces the experimental observation that magnetic shear is likely an effective way of triggering and sustaining e-ITBs in magnetic fusion devices.
NASA Technical Reports Server (NTRS)
Campbell, Stefan F.; Kaneshige, John T.
2010-01-01
Presented here is a Predictor-Based Model Reference Adaptive Control (PMRAC) architecture for a generic transport aircraft. At its core, this architecture features a three-axis, non-linear, dynamic-inversion controller. Command inputs for this baseline controller are provided by pilot roll-rate, pitch-rate, and sideslip commands. This paper will first thoroughly present the baseline controller followed by a description of the PMRAC adaptive augmentation to this control system. Results are presented via a full-scale, nonlinear simulation of NASA s Generic Transport Model (GTM).
Charged Particle Energization and Transport in the Magnetotail during Substorms
NASA Astrophysics Data System (ADS)
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
Subbanding, Charge Transport and Related Applications in Semiconductor Devices.
1977-10-01
These devices use a p-n homo -junction to confine the free electronic charge in the semiconductor to conducting regions so narrow as to exhibit...27.172 Table 6A ~0 ENERGY IN MILLI-ELECTRON VOLTS WC IN ANGSTROMS WC EC(6) ECC 7) EC(8) EC(9) ECC 10) 1.2 3669047 432.986 499.951 566.937 633.941 1.5...VC IN ANGSTROMS (6 ECC ) ECC7) EC(s) EC(9) ECCIS) 3t 236.132 279.167 322.269 365.257 418.319 1,’ 235;907 275;922 321� 364;976 408.013 I. 235,;635
Modeling interfacial charge transport of quantum dots using cyclic voltammetry
NASA Astrophysics Data System (ADS)
Tobias, Andrew K.; Jones, Marcus
2011-10-01
Quantum dot applications are numerous and range from photovoltaic devices and lasers, to bio labeling. Complexities in the electronic band structure of quantum dots create the necessity for analysis techniques that can accurately and reproducibly provide their absolute band energies. Cyclic voltammetry (CV) is a novel candidate for these studies and has the potential to become a useful tool in engineering new nanocrystal technology, by providing information necessary for predicting and modeling interfacial charge transfer to and from quantum dots. Advancing from previous reports of nanocrystal CV, a carbon paste electrode was utilized in an attempt to increase measured current by ensuring intimate contact between nanocrystals and the electrode. Our goal was to investigate band energies and model nanocrystal-molecule electron transfer systems.
Charge transport across tunable superlattice barriers in graphene
NASA Astrophysics Data System (ADS)
Dubey, Sudipta; Bhat, Ajay; Singh, Vibhor; Parikh, Pritesh; Prakash, Tanuj; Sebastian, Abhilash; Padmalekha, K. G.; Sengupta, Krishnendu; Tripathi, Vikram; Sensarma, Rajdeep; Deshmukh, Mandar
2013-03-01
We create an artificial superlattice structure in graphene using an array of top gate and a bottom gate. A superlattice potential modifies the band structure of graphene, so that extra Dirac points appear in the dispersion periodically as a function of the superlattice barrier height. Tuning the amplitude of the barrier thus gives us control over number of Dirac points generated. We have performed measurements on this superlattice structure. Oscillations in resistance are observed when the charge carrier induced by top gate and back gate are of opposite sign. In this region, the number of oscillations increases with increasing gate voltage. Measurements as a function of temperature show that these oscillations persist even at 70 K. The behaviour of these oscillations in presence of magnetic field is also observed. At low magnetic field we see weak localisation behaviour. At high magnetic field, the superlattice is a small perturbation and quantum Hall effect of pristine graphene is restored.
An acoustic charge transport imager for high definition television applications
NASA Astrophysics Data System (ADS)
Hunt, William D.; Brennan, Kevin F.; Summers, Christopher J.
1993-09-01
This report covers: (1) invention of a new, ultra-low noise, low operating voltage APD which is expected to offer far better performance than the existing volume doped APD device; (2) performance of a comprehensive series of experiments on the acoustic and piezoelectric properties of ZnO films sputtered on GaAs which can possibly lead to a decrease in the required rf drive power for ACT devices by 15dB; (3) development of an advanced, hydrodynamic, macroscopic simulator used for evaluating the performance of ACT and CTD devices and aiding in the development of the next generation of devices; (4) experimental development of CTD devices which utilize a p-doped top barrier demonstrating charge storage capacity and low leakage currents; (5) refinements in materials growth techniques and in situ controls to lower surface defect densities to record levels as well as increase material uniformity and quality.
An acoustic charge transport imager for high definition television applications
NASA Technical Reports Server (NTRS)
Hunt, William D.; Brennan, Kevin F.; Summers, Christopher J.
1993-01-01
This report covers: (1) invention of a new, ultra-low noise, low operating voltage APD which is expected to offer far better performance than the existing volume doped APD device; (2) performance of a comprehensive series of experiments on the acoustic and piezoelectric properties of ZnO films sputtered on GaAs which can possibly lead to a decrease in the required rf drive power for ACT devices by 15dB; (3) development of an advanced, hydrodynamic, macroscopic simulator used for evaluating the performance of ACT and CTD devices and aiding in the development of the next generation of devices; (4) experimental development of CTD devices which utilize a p-doped top barrier demonstrating charge storage capacity and low leakage currents; (5) refinements in materials growth techniques and in situ controls to lower surface defect densities to record levels as well as increase material uniformity and quality.
Heteroleptic cyclometalated Ir(III) complexes with charge transporting groups: A theoretical study
Padmaperuma, Asanga B.; Fernandez, Carlos A.
2012-09-13
Efficient and stable high energy organic light emitting devices (OLEDs) are a vital component of new generation general illumination solutions. However, large charge imbalances in the emissive layer of OLEDs lead to charge accumulation and subsequent side reactions which lowers the device efficiency and dramatically shortens operational lifetime. Radical changes in the way emitter materials are designed are needed to address this problem. Conventional approaches have only focused on color tuning; however, multi-functional emitter materials are needed to assist the transport of charge in the emissive layer. We propose to design and synthesize new organometallic iridium phosphorescent materials with bipolar charge transport properties to be used in high energy OLEDs and white light configurations
Optimization of Nonlinear Transport-Production Task of Medical Waste
NASA Astrophysics Data System (ADS)
Michlowicz, Edward
2012-09-01
The paper reflects on optimization of transportation - production tasks for the processing of medical waste. For the existing network of collection points and processing plants, according to its algorithm, the optimal allocation of tasks to the cost of transport to the respective plants has to be determined. It was assumed that the functions determining the processing costs are polynomials of the second degree. To solve the problem, a program written in MatLab environment equalization algorithm based on a marginal cost JCC was used.
Third-order TRANSPORT: A computer program for designing charged particle beam transport systems
Carey, D.C.; Brown, K.L.; Rothacker, F.
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.
Role of mid-gap states in charge transport and photoconductivity in semiconductor nanocrystal films
Nagpal, Prashant; Klimov, Victor I.
2011-01-01
Colloidal semiconductor nanocrystals have attracted significant interest for applications in solution-processable devices such as light-emitting diodes and solar cells. However, a poor understanding of charge transport in nanocrystal assemblies, specifically the relation between electrical conductance in dark and under light illumination, hinders their technological applicability. Here we simultaneously address the issues of 'dark' transport and photoconductivity in films of PbS nanocrystals, by incorporating them into optical field-effect transistors in which the channel conductance is controlled by both gate voltage and incident radiation. Spectrally resolved photoresponses of these devices reveal a weakly conductive mid-gap band that is responsible for charge transport in dark. The mechanism for conductance, however, changes under illumination when it becomes dominated by band-edge quantized states. In this case, the mid-gap band still has an important role as its occupancy (tuned by the gate voltage) controls the dynamics of band-edge charges. PMID:21952220
Role of mid-gap states in charge transport and photoconductivity in semiconductor nanocrystal films
Nagpal, Prashant; Klimov, Victor I.
2011-09-27
Colloidal semiconductor nanocrystals have attracted significant interest for applications in solution-processable devices such as light-emitting diodes and solar cells. However, a poor understanding of charge transport in nanocrystal assemblies, specifically the relation between electrical conductance in dark and under light illumination, hinders their technological applicability. Here we simultaneously address the issues of 'dark' transport and photoconductivity in films of PbS nanocrystals, by incorporating them into optical field-effect transistors in which the channel conductance is controlled by both gate voltage and incident radiation. Spectrally resolved photoresponses of these devices reveal a weakly conductive mid-gap band that is responsible for charge transport in dark. The mechanism for conductance, however, changes under illumination when it becomes dominated by band-edge quantized states. In this case, the mid-gap band still has an important role as its occupancy (tuned by the gate voltage) controls the dynamics of band-edge charges.
Craciun, N I; Wildeman, J; Blom, P W M
2008-02-08
Charge transport models developed for disordered organic semiconductors predict a non-Arrhenius temperature dependence ln(mu) proportional, variant1/T(2) for the mobility mu. We demonstrate that in space-charge limited diodes the hole mobility (micro(h)) of a large variety of organic semiconductors shows a universal Arrhenius temperature dependence micro(h)(T) = micro(0)exp(-Delta/kT) at low fields, due to the presence of extrinsic carriers from the Ohmic contact. The transport in a range of organic semiconductors, with a variation in room temperature mobility of more than 6 orders of magnitude, is characterized by a universal mobility micro(0) of 30-40 cm(2)/V s. As a result, we can predict the full temperature dependence of their charge transport properties with only the mobility at one temperature known.
Charge transport and structural dynamics in carboxylic-acid-based deep eutectic mixtures.
Griffin, Philip J; Cosby, Tyler; Holt, Adam P; Benson, Roberto S; Sangoro, Joshua R
2014-08-07
Charge transport and structural dynamics in the 1:2 mol ratio mixture of lidocaine and decanoic acid (LID-DA), a model deep eutectic mixture (DEM), have been characterized over a wide temperature range using broad-band dielectric spectroscopy and depolarized dynamic light scattering. Additionally, Fourier transform infrared spectroscopy measurements were performed to assess the degree of proton transfer between the neutral parent molecules. From our detailed analysis of the dielectric spectra, we have determined that this carboxylic-acid-based DEM is approximately 25% ionic at room temperature. Furthermore, we have found that the characteristic diffusion rate of mobile charge carriers is practically identical to the rate of structural relaxation at all measured temperatures, indicating that fast proton transport does not occur in LID-DA. Our results demonstrate that while LID-DA exhibits the thermal characteristics of a DEM, its charge transport properties resemble those of a protic ionic liquid.
NASA Astrophysics Data System (ADS)
Brenner, Thomas M.; Egger, David A.; Kronik, Leeor; Hodes, Gary; Cahen, David
2016-01-01
Solution-processed hybrid organic-inorganic perovskites (HOIPs) exhibit long electronic carrier diffusion lengths, high optical absorption coefficients and impressive photovoltaic device performance. Recent results allow us to compare and contrast HOIP charge-transport characteristics to those of III-V semiconductors — benchmarks of photovoltaic (and light-emitting and laser diode) performance. In this Review, we summarize what is known and unknown about charge transport in HOIPs, with particular emphasis on their advantages as photovoltaic materials. Experimental and theoretical findings are integrated into one narrative, in which we highlight the fundamental questions that need to be addressed regarding the charge-transport properties of these materials and suggest future research directions.
Quantum chemistry and charge transport in biomolecules with superconducting circuits.
García-Álvarez, L; Las Heras, U; Mezzacapo, A; Sanz, M; Solano, E; Lamata, L
2016-06-21
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.
Quantum chemistry and charge transport in biomolecules with superconducting circuits
NASA Astrophysics Data System (ADS)
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.
Quantum chemistry and charge transport in biomolecules with superconducting circuits
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
Solution of a new nonlinear equation for the distribution of charge carriers in a semiconductor
NASA Astrophysics Data System (ADS)
Liboff, Richard L.; Schenter, Gregory K.
1986-11-01
The solution of a recently obtained nonlinear differential equation for the distribution function of charge carriers in a semiconductor in an electric field is derived. It is given by fSL(x)=\\{1+B[s/(x+s)]sex \\}-1. This solution represents the symmetric part of the total distribution function. The nondimensional energy and applied electric field are x and √s , respectively, and B is a constant determined by normalization. The total distribution is given by the above and its derivative and is found to be rotationally symmetric about the electric field. This distribution reduces to the shifted Fermi-Dirac distribution for small s and to the Druyvesteyn distribution in the classical limit. An analytic expression for electrical conductivity is derived together with an approximate expression for the chemical potential in the small-electric-field limit. A generalized criterion for the classical versus quantum domains is discussed relevant to the present study. It is found that otherwise quantum domains become classical for sufficiently large applied electric fields.
NASA Astrophysics Data System (ADS)
Illera, S.; Prades, J. D.; Cirera, A.
2015-05-01
The role of different charge transport mechanisms in Si / Si O 2 structures has been studied. A theoretical model based on the Transfer Hamiltonian Formalism has been developed to explain experimental current trends in terms of three different elastic tunneling processes: (1) trap assisted tunneling; (2) transport through an intermediate quantum dot; and (3) direct tunneling between leads. In general, at low fields carrier transport is dominated by the quantum dots whereas, for moderate and high fields, transport through deep traps inherent to the SiO2 is the most relevant process. Besides, current trends in Si / Si O 2 superlattice structure have been properly reproduced.
Charge Transport in Polyaniline and Vapour Induced Structural Changes
NASA Astrophysics Data System (ADS)
Minto, C. D. G.; Vaughan, A. S.
1996-03-01
Camphor sulphonic acid protonation renders polyaniline soluble in both m-cresol and chloroform. Films cast from these solvents exhibit vastly differing transport properties. m-cresol cast films are metallic or lie on the metal/insulator transition, whereas those cast from chloroform are insulators. Similarly pellets of pressed doped polyaniline powder exhibit insulating characteristics. We present an investigation of such effects in polyaniline obtained from both insulating conditions (films and powders). We find that m-cresol -- vapour treatment of these materials causes a rapid increase both in the conductivity and the type of conduction, changing from an insulator to a material approaching the metal/insulator transition. Chloroform films actually take on characteristics of those cast from m-cresol, including a positive temperature coefficient of resistivity. Both starting materials exhibit similar X-ray scattering patterns, after exposure to vapour, the pattern becomes more similar to that which is found in m-cresol cast films. Conformational changes resulting from a strong polymer--interaction are discussed as the motivation for the improvements in transport properties.
Space-charge limited transport in large-area monolayer hexagonal boron nitride.
Mahvash, Farzaneh; Paradis, Etienne; Drouin, Dominique; Szkopek, Thomas; Siaj, Mohamed
2015-04-08
Hexagonal boron nitride (hBN) is a wide-gap material that has attracted significant attention as an ideal dielectric substrate for 2D crystal heterostructures. We report here the first observation of in-plane charge transport in large-area monolayer hBN, grown by chemical vapor deposition. The quadratic scaling of current with voltage at high bias corresponds to a space-charge limited conduction mechanism, with a room-temperature mobility reaching up to 0.01 cm(2)/(V s) at electric fields up to 100 kV/cm in the absence of dielectric breakdown. The observation of in-plane charge transport highlights the semiconducting nature of monolayer hBN, and identifies hBN as a wide-gap 2D crystal capable of supporting charge transport at high field. Future exploration of charge transport in hBN is motivated by the fundamental study of UV optoelectronics and the massive Dirac fermion spectrum of hBN.
NASA Astrophysics Data System (ADS)
Bhattacharjee, Sourav; van Opstal, Edward J.; Alink, Gerrit M.; Marcelis, Antonius T. M.; Zuilhof, Han; Rietjens, Ivonne M. C. M.
2013-06-01
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 45 nm) and polystyrene nanoparticles (PSNPs/size 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).
In situ optical measurement of charge transport dynamics in organic photovoltaics.
Chow, Philip C Y; Bayliss, Sam L; Lakhwani, Girish; Greenham, Neil C; Friend, Richard H
2015-02-11
We present a novel experimental approach which allows extraction of both spatial and temporal information on charge dynamics in organic solar cells. Using the wavelength dependence of the photonic structure in these devices, we monitor the change in spatial overlap between the photogenerated hole distribution and the optical probe profile as a function of time. In a model system we find evidence for a buildup of the photogenerated hole population close to the hole-extracting electrode on a nanosecond time scale and show that this can limit charge transport through space-charge effects under operating conditions.
``Franklin's Bells'' and charge transport as an undergraduate lab
NASA Astrophysics Data System (ADS)
Krotkov, R. V.; Tuominen, M. T.; Breuer, M. L.
2001-01-01
"Franklin's Bells" is a popular lecture demonstration in electricity but seems to have been overlooked as a quantitative undergraduate lab experiment. In our version, a charged ball oscillates back and forth between the plates of a capacitor. This paper has two purposes: one is to discuss some of the wide variety of experiments and calculations which this system affords, the other is to present an analysis of a particular situation in which the ball excites resonant modes of the plates. This excitation gives rise to unexpected steps in the graph of shuttle frequency versus the potential difference between the plates. The apparatus required to show the demonstration is available in most physics departments. Similarly, a quantitative experiment for an introductory undergraduate lab does not require any unusual equipment, nor particularly high voltages. (In our experiment, the highest voltage used was 600 V; this can probably be reduced by scaling down the apparatus.) The physical situation may be analyzed at many different levels, suitable for students in the freshman to senior years, and ranging from a qualitative understanding of the demonstration to computer calculations of chaotic dynamics. The apparatus may be a simple one appropriate to the introductory level, or, at an "Advanced Lab" level, a sophisticated one, with computer-controlled measurements and analysis of various parameters. It is surprising that such a rich system has been neglected in the traditional curriculum.
Charge Transport Properties of Durene Crystals from First-Principles.
Motta, Carlo; Sanvito, Stefano
2014-10-14
We establish a rigorous computational scheme for constructing an effective Hamiltonian to be used for the determination of the charge carrier mobility of pure organic crystals at finite temperature, which accounts for van der Waals interactions, and it includes vibrational contributions from the entire phonon spectrum of the crystal. Such an approach is based on the ab initio framework provided by density functional theory and the construction of a tight-binding effective model via Wannier transformation. The final Hamiltonian includes coupling of the electrons to the crystals phonons, which are also calculated from density functional theory. We apply this methodology to the case of durene, a small π-conjugated molecule, which forms a high-mobility herringbone-stacked crystal. We show that accounting correctly for dispersive forces is fundamental for obtaining a high-quality phonon spectrum, in agreement with experiments. Then, the mobility as a function of temperature is calculated along different crystallographic directions and the phonons most responsible for the scattering are identified.
Liu, Chunyu; Chang, Kaiwen; Guo, Wenbin E-mail: chenwy@jlu.edu.cn Li, Hao; Shen, Liang; Chen, Weiyou E-mail: chenwy@jlu.edu.cn; Yan, Dawei E-mail: chenwy@jlu.edu.cn
2014-08-18
Carbon quantum dots (Cdots) are synthesized by a simple method and introduced into active layer of polymer solar cells (PSCs). The performance of doped devices was apparently improved, and the highest power conversion efficiency of 7.05% was obtained, corresponding to a 28.2% enhancement compared with that of the contrast device. The charge transport properties, resistance, impedance, and transient absorption spectrum are systematically investigated to explore how the Cdots affect on PSCs performance. This study reveals the importance of Cdots in enhancing the efficiency of PSCs and gives insight into the mechanism of charge transport improvement.
Poloidal rotation driven by nonlinear momentum transport in strong electrostatic turbulence
NASA Astrophysics Data System (ADS)
Wang, Lu; Wen, Tiliang; Diamond, P. H.
2016-10-01
Virtually, all existing theoretical works on turbulent poloidal momentum transport are based on quasilinear theory. Nonlinear poloidal momentum flux—< {{\\tilde{v}}r}\\tilde{n}{{\\tilde{v}}θ}> is universally neglected. However, in the strong turbulence regime where relative fluctuation amplitude is no longer small, quasilinear theory is invalid. This is true at the all-important plasma edge. In this work, nonlinear poloidal momentum flux < {{\\tilde{v}}r}\\tilde{n}{{\\tilde{v}}θ}> in strong electrostatic turbulence is calculated using the Hasegawa-Mima equation, and is compared with quasilinear poloidal Reynolds stress. A novel property is that symmetry breaking in fluctuation spectrum is not necessary for a nonlinear poloidal momentum flux. This is fundamentally different from the quasilinear Reynold stress. Furthermore, the comparison implies that the poloidal rotation drive from the radial gradient of nonlinear momentum flux is comparable to that from the quasilinear Reynolds force. Nonlinear poloidal momentum transport in strong electrostatic turbulence is thus not negligible for poloidal rotation drive, and so may be significant to transport barrier formation.
Vortex motion in the ionosphere and nonlinear transport
Southwood, D.J.; Kivelson, M.G.
1993-07-01
The relation between vorticity and ionospheric flow patterns is investigated by using a fluid mechanics approach in place of the more customary electromagnetic approach. The focus on the fluid features is justified by the observation that in the incompressible limit appropriate to the ionosphere, vorticity can be regarded as the source of the flow field. The authors show how vorticity can be introduced into the flow by local ionospheric conditions. However, in the cases of greatest interest, the vorticity is imposed by external sources, which can be in the magnetosphere or in the solar wind. As an important application, they consider traveling ionospheric vortices propagating around the polar cap boundary. They show that such traveling disturbances transport both momentum and magnetic flux in the direction of their phase velocity, typically antisunward. Like other intermittent disturbances of small scale, such as flux transfer events, individual traveling ionospheric vortices transport relatively little flux, but multiple disturbances could conceivably transport an important fraction of the polar cap magnetic flux from the dayside to the tail. 29 refs., 2 figs.
Modeling of charge transport in ion bipolar junction transistors.
Volkov, Anton V; Tybrandt, Klas; Berggren, Magnus; Zozoulenko, Igor V
2014-06-17
Spatiotemporal control of the complex chemical microenvironment is of great importance to many fields within life science. One way to facilitate such control is to construct delivery circuits, comprising arrays of dispensing outlets, for ions and charged biomolecules based on ionic transistors. This allows for addressability of ionic signals, which opens up for spatiotemporally controlled delivery in a highly complex manner. One class of ionic transistors, the ion bipolar junction transistors (IBJTs), is especially attractive for these applications because these transistors are functional at physiological conditions and have been employed to modulate the delivery of neurotransmitters to regulate signaling in neuronal cells. Further, the first integrated complementary ionic circuits were recently developed on the basis of these ionic transistors. However, a detailed understanding of the device physics of these transistors is still lacking and hampers further development of components and circuits. Here, we report on the modeling of IBJTs using Poisson's and Nernst-Planck equations and the finite element method. A two-dimensional model of the device is employed that successfully reproduces the main characteristics of the measurement data. On the basis of the detailed concentration and potential profiles provided by the model, the different modes of operation of the transistor are analyzed as well as the transitions between the different modes. The model correctly predicts the measured threshold voltage, which is explained in terms of membrane potentials. All in all, the results provide the basis for a detailed understanding of IBJT operation. This new knowledge is employed to discuss potential improvements of ion bipolar junction transistors in terms of miniaturization and device parameters.
2016-01-01
While transport in conjugated polymers has many similarities to that in crystalline inorganic materials, several key differences reveal the unique relationship between the morphology of polymer films and the charge mobility. We develop a model that directly incorporates the molecular properties of the polymer film and correctly predicts these unique transport features. At low degree of polymerization, the increase of the mobility with the polymer chain length reveals trapping at chain ends, and saturation of the mobility at high degree of polymerization results from conformational traps within the chains. Similarly, the inverse field dependence of the mobility reveals that transport on single polymer chains is characterized by the ability of the charge to navigate around kinks and loops in the chain. These insights emphasize the connection between the polymer conformations and the transport and thereby offer a route to designing improved device morphologies through molecular design and materials processing. PMID:28058280
Understanding charge transport in lead iodide perovskite thin-film field-effect transistors
Senanayak, Satyaprasad P.; Yang, Bingyan; Thomas, Tudor H.; Giesbrecht, Nadja; Huang, Wenchao; Gann, Eliot; Nair, Bhaskaran; Goedel, Karl; Guha, Suchi; Moya, Xavier; McNeill, Christopher R.; Docampo, Pablo; Sadhanala, Aditya; Friend, Richard H.; Sirringhaus, Henning
2017-01-01
Fundamental understanding of the charge transport physics of hybrid lead halide perovskite semiconductors is important for advancing their use in high-performance optoelectronics. We use field-effect transistors (FETs) to probe the charge transport mechanism in thin films of methylammonium lead iodide (MAPbI3). We show that through optimization of thin-film microstructure and source-drain contact modifications, it is possible to significantly minimize instability and hysteresis in FET characteristics and demonstrate an electron field-effect mobility (μFET) of 0.5 cm2/Vs at room temperature. Temperature-dependent transport studies revealed a negative coefficient of mobility with three different temperature regimes. On the basis of electrical and spectroscopic studies, we attribute the three different regimes to transport limited by ion migration due to point defects associated with grain boundaries, polarization disorder of the MA+ cations, and thermal vibrations of the lead halide inorganic cages. PMID:28138550
Electrokinetic Transport in Nanochannels Grafted with Polyelectrolyte Brushes with End-Charging
NASA Astrophysics Data System (ADS)
Das, Siddhartha; Chen, Guang
2015-11-01
Electrokinetic transport in nanochannels grafted with polyelectrolyte (PE) brushes is important for applications such as ion transport, ion manipulation, flow valving, etc. We discuss here a semi-analytical mean field theory approach to study electrokinetic transport in nanochannels grafted with polyelectrolyte brushes with end-charging. The model first probes the thermodynamics and the electrostatics of the PE brushes by appropriately accounting for the entropic (elastic), excluded volume, and electrostatic effects. The resulting knowledge on the electrostatic potential and the PE configuration is next used to obtain the electroosmotic transport. Results demonstrate the role of surface charges (at the end of the PE brushes) in modifying (shrinking or swelling) the brush height. This, in turn, alters the electroosmotic body force and the PE brush layer induced drag force on the fluid flow; therefore, the flow field eventually evolves from a non-trivial interplay of the PE electrostatic, entropic, and excluded volume effects.
Understanding charge transport in lead iodide perovskite thin-film field-effect transistors.
Senanayak, Satyaprasad P; Yang, Bingyan; Thomas, Tudor H; Giesbrecht, Nadja; Huang, Wenchao; Gann, Eliot; Nair, Bhaskaran; Goedel, Karl; Guha, Suchi; Moya, Xavier; McNeill, Christopher R; Docampo, Pablo; Sadhanala, Aditya; Friend, Richard H; Sirringhaus, Henning
2017-01-01
Fundamental understanding of the charge transport physics of hybrid lead halide perovskite semiconductors is important for advancing their use in high-performance optoelectronics. We use field-effect transistors (FETs) to probe the charge transport mechanism in thin films of methylammonium lead iodide (MAPbI3). We show that through optimization of thin-film microstructure and source-drain contact modifications, it is possible to significantly minimize instability and hysteresis in FET characteristics and demonstrate an electron field-effect mobility (μFET) of 0.5 cm(2)/Vs at room temperature. Temperature-dependent transport studies revealed a negative coefficient of mobility with three different temperature regimes. On the basis of electrical and spectroscopic studies, we attribute the three different regimes to transport limited by ion migration due to point defects associated with grain boundaries, polarization disorder of the MA(+) cations, and thermal vibrations of the lead halide inorganic cages.
Nonlinear thermoelectric response due to energy-dependent transport properties of a quantum dot
NASA Astrophysics Data System (ADS)
Svilans, Artis; Burke, Adam M.; Svensson, Sofia Fahlvik; Leijnse, Martin; Linke, Heiner
2016-08-01
Quantum dots are useful model systems for studying quantum thermoelectric behavior because of their highly energy-dependent electron transport properties, which are tunable by electrostatic gating. As a result of this strong energy dependence, the thermoelectric response of quantum dots is expected to be nonlinear with respect to an applied thermal bias. However, until now this effect has been challenging to observe because, first, it is experimentally difficult to apply a sufficiently large thermal bias at the nanoscale and, second, it is difficult to distinguish thermal bias effects from purely temperature-dependent effects due to overall heating of a device. Here we take advantage of a novel thermal biasing technique and demonstrate a nonlinear thermoelectric response in a quantum dot which is defined in a heterostructured semiconductor nanowire. We also show that a theoretical model based on the Master equations fully explains the observed nonlinear thermoelectric response given the energy-dependent transport properties of the quantum dot.
Coupled Particle Transport and Pattern Formation in a Nonlinear Leaky-Box Model
NASA Technical Reports Server (NTRS)
Barghouty, A. F.; El-Nemr, K. W.; Baird, J. K.
2009-01-01
Effects of particle-particle coupling on particle characteristics in nonlinear leaky-box type descriptions of the acceleration and transport of energetic particles in space plasmas are examined in the framework of a simple two-particle model based on the Fokker-Planck equation in momentum space. In this model, the two particles are assumed coupled via a common nonlinear source term. In analogy with a prototypical mathematical system of diffusion-driven instability, this work demonstrates that steady-state patterns with strong dependence on the magnetic turbulence but a rather weak one on the coupled particles attributes can emerge in solutions of a nonlinearly coupled leaky-box model. The insight gained from this simple model may be of wider use and significance to nonlinearly coupled leaky-box type descriptions in general.
A nonlinear positive method for solving the transport equation on course meshes
Walters, W.F.; Wareing, T.A.
1994-02-01
A new nonlinear S{sub n} transport differencing scheme for slab geometry is presented that is fourth order accurate for small meshes and is strictly positive. The new scheme has been coded into the existing ONELD code and tested. Numerical results to demonstrate the accuracy and positivity of this new scheme are presented.
Matrix engineering, state filling, and charge transport in PbSe quantum dot solids
NASA Astrophysics Data System (ADS)
Law, Matt
Colloidal semiconductor quantum dots (QDs) are attractive building blocks for solar photovoltaics (PV). In this talk, I will highlight our recent progress in designing PbX (X = S, Se, Te) QD thin film absorbers for next-generation PV. Basic requirements for QD absorber layers include efficient light absorption, charge separation, charge transport, and long-term stability. I begin by discussing QD film fabrication, charge transport physics, insights from theory, and evidence that the carrier diffusion length is short and limited by electronic states in the QD band gap. Studies of carrier mobility as a function of basic film parameters such as inter-QD spacing, QD size, and QD size distribution have led to a better understanding of charge transport within highly disordered QD films. Efforts to improve carrier mobility by enhancing inter-dot electronic coupling, passivating surface states, and implementing surface doping will be highlighted. Engineering the inter-QD matrix to produce QD/inorganic or QD/organic nanocomposites is presented as a powerful way to optimize coupling, remove surface states, eliminate hysteretic charge trapping and ion motion, and achieve long-term environmental stability for high-performance, robust QD films that feature good carrier multiplication efficiency. New results on the use of atomic layer deposition infilling of QD films to yield all-inorganic QD transistors free of the bias-stress effect will be presented, and the likely role of ion transport in QD optoelectronics discussed. The use of infrared transmission spectroscopy to understand state filling and study charge transport in QD thin film transistors will be presented.
Understanding charge transport in organometal halide field effect transistors
NASA Astrophysics Data System (ADS)
Senanayak, Satyaprasad P.; Yang, Bingyan; Sadhanala, Aditya; Friend, Richard, Prof. _., Sir; Sirrnighaus, Henning, , Prof.
Organometal halide based perovskite are emerging materials for wide range of electronic applications. A range of optoelectronic applications like high efficiency solar cells, color pure LEDs and optical pumped lasers have been demonstrated. Here, we report the demonstration of a high performance field effect transistor fabricated from iodide perovskite material at room temperature. The devices exhibit clean saturation behavior with electron μFET >3 cm2V-1s-1 and current modulation in the range of 106 - 107 which are till date the best performance achieved with these class of materials. This high performance is attributed to a combination of novel film fabrication technique and device engineering strategies. Detailed understanding of the observed band-like transport phenomenon is developed by tuning the different sources of dynamic and static disorder prevalent in the system. These finding are expected to pave way for developing next generation electronic application from perovskite materials. Authors acknowledge EPSRC for funding and SPS acknowledges Royal Society Newton Fellowship.
Maharaj, S. K.; Bharuthram, R.; Pillay, S. R.; Singh, S. V.; Reddy, R. V.; Lakhina, G. S.
2008-09-07
In view of the observations of parallel (to Earth's magnetic field) spiky electric field structures by the FAST satellite, a theoretical study is conducted using a dusty plasma model comprising Boltzmann distributed hot and cool ions, Boltzmann electrons and a negatively charged cold dust fluid to investigate the existence of similar low frequency nonlinear electrostatic waves in a dusty plasma which could have a similar appearance as the observed waveforms. Charge separation effects are incorporated into our model by the inclusion of Poisson's equation as opposed to assuming quasineutrality. The system of nonlinear equations is then numerically solved. The resulting electric field structure is examined as a function of various plasma parameters such as Mach number, driving electric field amplitude, bulk dust drift speed, particle densities and particle temperatures.
An Acoustic Charge Transport Imager for High Definition Television
NASA Technical Reports Server (NTRS)
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
El-Taibany, W. F.; Wadati, Miki; Sabry, R.
2007-03-15
Propagations of nonlinear dust acoustic (DA) solitary waves and shock waves in a nonuniform magnetized dusty plasma are investigated. The incorporation of the combined effects of nonthermally distributed ions, nonadiabatic dust charge fluctuation, and the inhomogeneity caused by nonuniform equilibrium values of particle density, charging variable, and particle potential on the waves leads to a significant modification to the nature of nonlinear DA solitary waves. The nonlinear wave evolution is governed by a modified Zakhavov-Kusnetsov-Burgers (MZKB) equation, whose coefficients are space dependent. Using a generalized expansion method, new solutions for the MZKB equation are obtained. The form of solutions consists of two parts; one of them is the amplitude factor and the other is a superposition of bell-shaped and kink-type shock waves. New solutions are classified into three categories. A type of the solution is determined depending on the nonthermal parameter. Findings in this investigation should be useful for understanding the ion acceleration mechanisms close to the Moon and also enhancing our knowledge on pickup ions around unmagnetized bodies, such as comets, Mars, and Venus, including medium inhomogeneities with nonadiabatic dust charging processes.
NASA Astrophysics Data System (ADS)
Cardia, R.; Malloci, G.; Bosin, A.; Serra, G.; Cappellini, G.
2016-10-01
We present a systematic computational study of the effects of perfluorination on the charge-transport properties of three homologous classes of polyaromatic hydrocarbons of interest for molecular electronics: acenes, pyrenes, and circumacenes. By means of Density Functional Theory calculations we first obtained the key molecular properties for transport of both holes and electrons. We then used these parameters in the framework of Marcus theory to compare charge-transfer rates in the high temperatures regime for both unsubstituted and perfluorinated molecules. We additionally estimated the relative charge-mobility of each unsubstituted (perfluorinated) molecule with respect to unsubstituted (perfluorinated) pentacene. We found in all cases that perfluorination reduces the charge-transfer rate in absolute terms. This is largely due to the higher values of the molecular reorganization energies predicted for perfluorinated compounds. Interestingly, however, the charge-transfer rates for both holes and electrons of perfluorinated species are remarkably similar, especially for the larger species. In addition, in the case of the larger circumacenes the charge-mobility values relative to pentacene values are found to increase upon perfluorination.
NASA Astrophysics Data System (ADS)
Wang, Jixue; Shen, Kexin; Xu, Weiguo; Ding, Jianxun; Wang, Xiaoqing; Liu, Tongjun; Wang, Chunxi; Chen, Xuesi
2015-05-01
Nanoscale polymeric micelles have attracted more and more attention as a promising nanocarrier for controlled delivery of antineoplastic drugs. Herein, the doxorubicin (DOX)-loaded poly(D-lactide)-based micelle (PDM/DOX), poly(L-lactide)-based micelle (PLM/DOX), and stereocomplex micelle (SCM/DOX) from the equimolar mixture of the enantiomeric four-armed poly(ethylene glycol)-polylactide (PEG-PLA) copolymers were successfully fabricated. In phosphate-buffered saline (PBS) at pH 7.4, SCM/DOX exhibited the smallest hydrodynamic diameter ( D h) of 90 ± 4.2 nm and the slowest DOX release compared with PDM/DOX and PLM/DOX. Moreover, PDM/DOX, PLM/DOX, and SCM/DOX exhibited almost stable D hs of around 115, 105, and 90 nm at above normal physiological condition, respectively, which endowed them with great potential in controlled drug delivery. The intracellular DOX fluorescence intensity after the incubation with the laden micelles was different degrees weaker than that incubated with free DOX · HCl within 12 h, probably due to the slow DOX release from micelles. As the incubation time reached to 24 h, all the cells incubated with the laden micelles, especially SCM/DOX, demonstrated a stronger intracellular DOX fluorescence intensity than free DOX · HCl-cultured ones. More importantly, all the DOX-loaded micelles, especially SCM/DOX, exhibited potent antineoplastic efficacy in vitro, excellent serum albumin-tolerance stability, and satisfactory hemocompatibility. These encouraging data indicated that the loading micelles from nonlinear enantiomeric copolymers, especially SCM/DOX, might be promising in clinical systemic chemotherapy through intravenous injection.
Nonlinear alfvénic fast particle transport and losses
NASA Astrophysics Data System (ADS)
Schneller, M.; Lauber, Ph; García-Muñoz, M.; Brüdgam, M.; Günter, S.
2012-12-01
Magnetohydrodynamic instabilities like Toroidal Alfvén Eigenmodes or core-localized modes such as Beta Induced Alfvén Eigenmodes and Reversed Shear Alfvén Eigenmodes driven by fast particles can lead to significant redistribution and losses in fusion devices. This is observed in many ASDEX Upgrade discharges. The present work aims to understand the underlying resonance mechanisms, especially in the presence of multiple modes with different frequencies. Resonant mode coupling mechanisms are investigated using the drift kinetic HAGIS code [Pinches 1998]. Simulations were performed for different plasma equilibria, in particular for different q profiles, employing the availability of improved experimental data. A study was carried out, investigating double-resonant mode coupling with respect to various overlapping scenarios. It was found that, depending on the radial mode distance, double-resonance is able to enhance growth rates as well as mode amplitudes significantly. Small radial mode distances, however can also lead to strong nonlinear mode stabilization of a linear dominant mode. With the extended version of HAGIS, losses were simulated and directly compared with experimental loss measurements. The losses' phase space distribution as well as their ejection signal is consistent with experimental data. Furthermore, it allowed to characterize them as prompt, resonant or stochastic. It was found that especially in multiple mode scenarios (with different mode frequencies), abundant incoherent losses occur in the lower energy range, due to a broad phase-space stochastization. The incoherent higher energetic losses are "prompt", i.e. their initial energy is too large for confined orbits.
Ag-mediated charge transport during metal-assisted chemical etching of silicon nanowires.
Geyer, Nadine; Fuhrmann, Bodo; Leipner, Hartmut S; Werner, Peter
2013-05-22
The charge transport mechanism during metal-assisted chemical etching of Si nanowires with contiguous metal films has been investigated. The experiments give a better insight how the charges and reaction products can penetrate to the etching front. The formation of a layer of porous Si between the metal film and the bulk Si is a prerequisite for the etching process. The electronic holes (positive charges) necessary for the etching of porous Si are generated at the surface of the metal in contact with the oxidative agent. Because of the insulating character of the thin walls of the porous Si, the transport of the electronic holes through this layer is not possible. Instead, it is found that the transport of electronic holes proceeds primarily by means of the Ag/Ag(+) redox pair circulating in the electrolyte and diffusing through the etched pores in the Si. The charge transport occurs without the ionic contribution at the positions where the metal is in direct contact with the Si. Here, an electropolishing process takes place, leading to an extensive removal of the Si and sinking in of the film into the Si substrate.
NASA Astrophysics Data System (ADS)
Edley, Michael; Jones, Treavor; Baxter, Jason
The dynamics of charge carrier transport and recombination and their dependence on physical and electrochemical length scales in extremely thin absorber (ETA) solar cells is vital to cell design. We used J-V characterization, transient photocurrent / photovoltage, and electrochemical impedance spectroscopy to study electron transport and interfacial recombination in ETA cell. ETA cells were composed of ZnO nanowires coated with an ultrathin (5 nm) CdS buffer layer and CdSe absorbers with thicknesses of 10 - 40 nm, with polysulfide electrolyte. In thinner absorbers near short circuit, the depletion region can extend radially into the nanowire, inhibiting interfacial recombination rate. However, depleting the periphery of the nanowire reduces the cross sectional area for charge transport, resulting in longer characteristic collection times. Thicker absorbers suffered more significant bias-dependent collection, and we conclude that slight radial penetration of the depletion region into the nanowires enhances charge collection. This work highlights the importance of considering the impact of depletion width on charge transport and interfacial recombination in the design of liquid junction, semiconductor-sensitized solar cells.
Polarity switching of charge transport and thermoelectricity in self-assembled monolayer devices.
Egger, David A; Rissner, Ferdinand; Zojer, Egbert; Heimel, Georg
2012-08-22
Self-assembled monolayer devices can exhibit drastically different charge-transport characteristics and thermoelectric properties despite being composed of isomeric molecules with essentially identical frontier-orbital energies. This is rationalized by the cooperative electrostatic action of local intramolecular dipoles in otherwise nonpolar species, thus revealing new challenges but also new opportunities for the targeted design of functional building blocks in future nanoelectronics.
Analysis of Charge Carrier Transport in Organic Photovoltaic Thin Films and Nanoparticle Assemblies
NASA Astrophysics Data System (ADS)
Han, Xu; Maroudas, Dimitrios
2014-03-01
We present a systematic analysis of charge carrier transport in organic photovoltaic (OPV) devices based on phenomenological charge carrier transport models. These transient drift-diffusion-reaction models describe electron and hole transport and their trapping, detrapping, and recombination self-consistently with Poisson's equation for the electric field in the active layer. We predict transient currents in devices with active layers composed of P3HT, PCBM, and PBTDV polymers, as well as donor-acceptor blends. The propensity of the material to generate charge, zero-field carrier mobilities, as well as trapping, detrapping, and recombination rate coefficients are determined by fitting the modeling predictions to experimental data of photocurrent evolution. We have investigated effects of material structure and morphology by comparing the fitting outcomes for active layers consisting of both thin films and nanoparticle assemblies. We have also analyzed the effect on charge carrier transport of nanoparticle surface characteristics, as well as of thermal annealing of both thin-film and nanoparticle-assembly active layers. The model predictions provide valuable input toward synthesis of new nanoparticle assemblies that lead to improved OPV device performance.
Analysis of a model for transport of charged particles in a random magnetic field
NASA Technical Reports Server (NTRS)
Hanson, F. B.; Ramanathan, G. V.; Klimas, A.; Sandri, G.
1973-01-01
A model for the transport of charged particles in a random magnetic field is a Volterra integrodifferential equation with a long-range kernel. The integrodifferential equation is solved numerically with the method of Bellman, Kalaba, and Lockett (1966). The results are shown to be in excellent agreement with analytical asymptotic results.-
Reading charge transport from the spin dynamics on the surface of a topological insulator.
Liu, Xin; Sinova, Jairo
2013-10-18
Resolving the conductance of the topological surface states (TSSs) from the bulk contribution has been a great challenge for studying the transport properties of topological insulators. By developing a nonperturbative diffusion equation that describes fully the spin-charge dynamics in the strong spin-orbit coupling regime, we present a proposal to read the charge transport information of TSSs from its spin dynamics which can be isolated from the bulk contribution by the time-resolved second harmonic generation pump-probe measurement. We demonstrate the qualitatively different Dyaknov-Perel spin relaxation behavior between the TSSs and the two-dimensional spin-orbit coupling electron gas. The decay time of both in-plane and out-of-plane spin polarization is naturally proved to be identical to the charge transport time. The out-of-plane spin dynamics is shown to be in the experimentally reachable regime of the femtosecond pump-probe spectroscopy and thereby we suggest experiments to detect the charge transport properties of the TSSs from their unique spin dynamics.
NASA Astrophysics Data System (ADS)
Sahoo, S. R.; Parida, S. K.; Sahu, S.
2016-09-01
We present a density functional (DFT) study of the charge transport properties of CF3-naphthalene. Nature of charge transport is investigated using parameters such as reorganization energy (X), transfer integral (t), ionization potential (IP), electron affinity (EA), and carrier mobility (μ) computed through electronic structure calculations. We observe a decrease in X and IP from 2,6-DTFMNA to 1,5-DTFMNA, whereas, the EA is found to be enhanced, as a result p-type characteristics, with mild n-type signature, in the organic semiconductor gets increased. In addition, the HOMO-LUMO gap also gets reduced inferring more charge injection through the potential barrier. The maximum hole and electron mobility values for the substituted compound are obtained to be 2.17 cm2/ Vsec & 0.20 cm2/ Vsec, respectively.
A n-vector model for charge transport in molecular semiconductors.
Jackson, Nicholas E; Kohlstedt, Kevin L; Chen, Lin X; Ratner, Mark A
2016-11-28
We develop a lattice model utilizing coarse-grained molecular sites to study charge transport in molecular semiconducting materials. The model bridges atomistic descriptions and structureless lattice models by mapping molecular structure onto sets of spatial vectors isomorphic with spin vectors in a classical n-vector Heisenberg model. Specifically, this model incorporates molecular topology-dependent orientational and intermolecular coupling preferences, including the direct inclusion of spatially correlated transfer integrals and site energy disorder. This model contains the essential physics required to explicitly simulate the interplay of molecular topology and correlated structural disorder, and their effect on charge transport. As a demonstration of its utility, we apply this model to analyze the effects of long-range orientational correlations, molecular topology, and intermolecular interaction strength on charge motion in bulk molecular semiconductors.
Space charge compensation in the Linac4 low energy beam transport line with negative hydrogen ions.
Valerio-Lizarraga, Cristhian A; Lallement, Jean-Baptiste; Leon-Monzon, Ildefonso; Lettry, Jacques; Midttun, Øystein; Scrivens, Richard
2014-02-01
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 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(-) 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.
Light-Emitting Organic Materials with Variable Charge Injection and Transport Properties
Chen, A. C.-A.; Wallace, J. U.; Wei, S. K.-H.; Zeng, L.; Shen, S. H.; Blenton, T. N.
2006-01-01
Novel light-emitting organic materials comprising conjugated oligomers chemically attached via a flexible spacer to an electron- or hole-conducting core were designed for tunable charge injection and transport properties. Representative glassy-isentropic and glassy-liquid-crystalline (i.e., noncrystaline solid) materials were synthesized and characterized; they were found to exhibit a glass transition temperature and a clearing point close to 140 and 250 C, respectively; an orientational order parameter of 0.75; a photoluminescence quantum yield up to 51%; and HOMO and LUMO energy levels intermediate between those of blue-emitting oligofluorenes and the ITO and Mg/Ag electrodes commonly used in organic light-emitting diodes, OLEDs. This class of materials will help to balance charge injection and transport and to spread out the charge recombination zone, thereby significantly improving the device efficiency and lifetime of unpolarized and polarized OLEDs.
Two-Dimensional Spatial Imaging of Charge Transport in Germanium Crystals at Cryogenic Temperatures
Moffatt, Robert
2016-01-01
In this dissertation, I describe a novel apparatus for studying the transport of charge in semiconductors at cryogenic temperatures. The motivation to conduct this experiment originated from an asymmetry observed between the behavior of electrons and holes in the germanium detector crystals used by the Cryogenic Dark Matter Search (CDMS). This asymmetry is a consequence of the anisotropic propagation of electrons in germanium at cryogenic temperatures. To better model our detectors, we incorporated this effect into our Monte Carlo simulations of charge transport. The purpose of the experiment described in this dissertation is to test those models in detail. Our measurements have allowed us to discover a shortcoming in our most recent Monte Carlo simulations of electrons in germanium. This discovery would not have been possible without the measurement of the full, two-dimensional charge distribution, which our experimental apparatus has allowed for the first time at cryogenic temperatures.
A n-vector model for charge transport in molecular semiconductors
NASA Astrophysics Data System (ADS)
Jackson, Nicholas E.; Kohlstedt, Kevin L.; Chen, Lin X.; Ratner, Mark A.
2016-11-01
We develop a lattice model utilizing coarse-grained molecular sites to study charge transport in molecular semiconducting materials. The model bridges atomistic descriptions and structureless lattice models by mapping molecular structure onto sets of spatial vectors isomorphic with spin vectors in a classical n-vector Heisenberg model. Specifically, this model incorporates molecular topology-dependent orientational and intermolecular coupling preferences, including the direct inclusion of spatially correlated transfer integrals and site energy disorder. This model contains the essential physics required to explicitly simulate the interplay of molecular topology and correlated structural disorder, and their effect on charge transport. As a demonstration of its utility, we apply this model to analyze the effects of long-range orientational correlations, molecular topology, and intermolecular interaction strength on charge motion in bulk molecular semiconductors.
NASA Astrophysics Data System (ADS)
Attinger, Sabine; Dimitrova, Jiva; Kinzelbach, Wolfgang
2009-05-01
This paper addresses the question of how spatial variability in the hydraulic and chemical properties of groundwater systems affects the transport and sorption behavior of pollutants at the field scale. In this paper, we limit our investigations on pollutants that adsorb according to an equilibrium controlled nonlinear Freundlich sorption isotherm. The new contribution of this paper is take into account not only spatially variable Freundlich distribution coefficients KS but spatially variable Freundlich nonlinearity parameters p as well. Using a homogenization theory approach, we shortly review the impact of spatially variable hydraulic properties on the transport and extend the theory to spatially variable chemical properties. We show that spatially variable Freundlich exponents cause a very different field scale transport and sorption behavior than spatial variations in the distribution coefficients only since in the first case field scale Freundlich parameters and field scale dispersion coefficients become concentration dependent. In particular, field scale retardation is much larger than small-scale retardation.
NASA Astrophysics Data System (ADS)
Kunwar, Ambarish; Mogilner, Alexander
2010-03-01
Transport by processive molecular motors plays an important role in many cell biological phenomena. In many cases, motors work together to transport cargos in the cell, so it is important to understand the mechanics of the multiple motors. Based on earlier modeling efforts, here we study effects of nonlinear force-velocity relations and stochastic load sharing on multiple motor transport. We find that when two or three motors transport the cargo, then the nonlinear and stochastic effects compensate so that the mechanical properties of the transport are robust. Similarly, the transport is insensitive to compliance of the cargo-motor links. Furthermore, the rate of movement against moderate loads is not improved by increasing the small number of motors. When the motor number is greater than 4, correlations between the motors become negligible, and the earlier analytical mean-field theory of the multiple motor transport holds. We predict that the effective diffusion of the cargo driven by the multiple motors under load increases by an order of magnitude compared to that for the single motor. Finally, our simulations predict that the stochastic effects are responsible for a significant dispersion of velocities generated by the 'tug-of-war' of the multiple opposing motors.
Kunwar, Ambarish; Mogilner, Alexander
2010-02-10
Transport by processive molecular motors plays an important role in many cell biological phenomena. In many cases, motors work together to transport cargos in the cell, so it is important to understand the mechanics of the multiple motors. Based on earlier modeling efforts, here we study effects of nonlinear force-velocity relations and stochastic load sharing on multiple motor transport. We find that when two or three motors transport the cargo, then the nonlinear and stochastic effects compensate so that the mechanical properties of the transport are robust. Similarly, the transport is insensitive to compliance of the cargo-motor links. Furthermore, the rate of movement against moderate loads is not improved by increasing the small number of motors. When the motor number is greater than 4, correlations between the motors become negligible, and the earlier analytical mean-field theory of the multiple motor transport holds. We predict that the effective diffusion of the cargo driven by the multiple motors under load increases by an order of magnitude compared to that for the single motor. Finally, our simulations predict that the stochastic effects are responsible for a significant dispersion of velocities generated by the 'tug-of-war' of the multiple opposing motors.
Kunwar, Ambarish; Mogilner, Alexander
2010-01-01
Transport by processive molecular motors plays an important role in many cell biological phenomena. In many cases, motors work together to transport cargos in the cell, so it is important to understand the mechanics of the multiple motors. Based on earlier modeling efforts, here we study effects of nonlinear force–velocity relations and stochastic load sharing on multiple motor transport. We find that when two or three motors transport the cargo, then the nonlinear and stochastic effects compensate so that the mechanical properties of the transport are robust. Similarly, the transport is insensitive to compliance of the cargo-motor links. Furthermore, the rate of movement against moderate loads is not improved by increasing the small number of motors. When the motor number is greater than 4, correlations between the motors become negligible, and the earlier analytical mean-field theory of the multiple motor transport holds. We predict that the effective diffusion of the cargo driven by the multiple motors under load increases by an order of magnitude compared to that for the single motor. Finally, our simulations predict that the stochastic effects are responsible for a significant dispersion of velocities generated by the ‘tug-of-war’ of the multiple opposing motors. PMID:20147778
NASA Astrophysics Data System (ADS)
Riha, Shannon C.
2011-12-01
With the capability of producing nearly 600 TW annually, solar power is one renewable energy source with the potential to meet a large fraction of the world's burgeoning energy demand. To make solar technology cost-competitive with carbon-based fuels, cheaper devices need to be realized. Solution-processed solar cells from nanocrystal inks of earth abundant materials satisfy this requirement. Nonetheless, a major hurdle in commercializing such devices is poor charge transport through nanocrystal thin films. The efficiency of charge transport through nanocrystal thin films is strongly dependent on the quality of the nanocrystals, as well as their optoelectronic properties. Therefore, the first part of this dissertation is focused on synthesizing high quality nanocrystals of Cu2ZnSnS4, a promising earth abundant photovoltaic absorber material. The optoelectronic properties of the nanocrystals were tuned by altering the copper to zinc ratio, as well as by introducing selenium to create Cu2ZnSn(S1-xSe x)4 solid solutions. Photoelectrochemical characterization was used to test the Cu2ZnSnS4 and Cu2ZnSn(S 1-xSex)4 nanocrystal thin films. The results identify minority carrier diffusion and recombination via the redox shuttle as the major loss mechanisms hindering efficient charge transport through the nanocrystal thin films. One way to solve this issue is to sinter the nanocrystals together, creating large grains for efficient charge transport. Although this may be quick and effective, it can lead to the formation of structural defects, among other issues. To this end, using a different copper-based material, namely Cu2Se, and simple surface chemistry treatments, an alternative route to enhance charge transport through nanocrystals thin films is proposed.
Spata, Michael
2012-08-01
An experiment was conducted at Jefferson Lab's Continuous Electron Beam Accelerator Facility to develop a beam-based technique for characterizing the extent of the nonlinearity of the magnetic fields of a beam transport system. Horizontally and vertically oriented pairs of air-core kicker magnets were simultaneously driven at two different frequencies to provide a time-dependent transverse modulation of the beam orbit relative to the unperturbed reference orbit. Fourier decomposition of the position data at eight different points along the beamline was then used to measure the amplitude of these frequencies. For a purely linear transport system one expects to find solely the frequencies that were applied to the kickers with amplitudes that depend on the phase advance of the lattice. In the presence of nonlinear fields one expects to also find harmonics of the driving frequencies that depend on the order of the nonlinearity. Chebyshev polynomials and their unique properties allow one to directly quantify the magnitude of the nonlinearity with the minimum error. A calibration standard was developed using one of the sextupole magnets in a CEBAF beamline. The technique was then applied to a pair of Arc 1 dipoles and then to the magnets in the Transport Recombiner beamline to measure their multipole content as a function of transverse position within the magnets.
Frequency dependent magneto-transport in charge transfer Co(II) complex
NASA Astrophysics Data System (ADS)
Shaw, Bikash Kumar; Saha, Shyamal K.
2014-09-01
A charge transfer chelated system containing ferromagnetic metal centers is the ideal system to investigate the magneto-transport and magneto-dielectric effects due to the presence of both electronic as well as magnetic properties and their coupling. Magneto-transport properties in materials are usually studied through dc charge transport under magnetic field. As frequency dependent conductivity is an essential tool to understand the nature of carrier wave, its spatial extension and their mutual interaction, in the present work, we have investigated frequency dependent magneto-transport along with magnetization behavior in [Co2(II)-(5-(4-PhMe)-1,3,4-oxadiazole-H+-2-thiolate)5](OAc)4 metal complex to elucidate the nature of above quantities and their response under magnetic field in the transport property. We have used the existing model for ac conduction incorporating the field dependence to explain the frequency dependent magneto-transport. It is seen that the frequency dependent magneto-transport could be well explained using the existing model for ac conduction.
Noriega, Rodrigo; Salleo, Alberto; Spakowitz, Andrew J
2013-10-08
Existing models for the electronic properties of conjugated polymers do not capture the spatial arrangement of the disordered macromolecular chains over which charge transport occurs. Here, we present an analytical and computational description in which the morphology of individual polymer chains is dictated by well-known statistical models and the electronic coupling between units is determined using Marcus theory. The multiscale transport of charges in these materials (high mobility at short length scales, low mobility at long length scales) is naturally described with our framework. Additionally, the dependence of mobility with electric field and temperature is explained in terms of conformational variability and spatial correlation. Our model offers a predictive approach to connecting processing conditions with transport behavior.
CHARGED-PARTICLE TRANSPORT IN MAGNETIC TURBULENCE. I. A GLOBALLY ANISOTROPIC FIELD
Sun, P.; Jokipii, J. R.
2015-12-10
Collisionless magnetohydrodynamic Turbulence is common in large scale astrophysical environments. The determination of the transport of charged particles both parallel and perpendicular in such a system is of considerable interest. Quasi-linear analysis or direct numerical simulation can be used to find the effects of the turbulent magnetic field on the transport of charged particles. A number of different magnetic turbulence models have been proposed in the last several decades. We present here the results of studying particle transport in synthesized, anisotropic turbulence and compare the results with those obtained using the standard isotropic turbulence model in a series of papers. In this paper we consider the magnetic field turbulence model with global anisotropy.
Willert, Jeffrey; Park, H.; Taitano, William
2015-11-01
High-order/low-order (or moment-based acceleration) algorithms have been used to significantly accelerate the solution to the neutron transport k-eigenvalue problem over the past several years. Recently, the nonlinear diffusion acceleration algorithm has been extended to solve fixed-source problems with anisotropic scattering sources. In this paper, we demonstrate that we can extend this algorithm to k-eigenvalue problems in which the scattering source is anisotropic and a significant acceleration can be achieved. Lastly, we demonstrate that the low-order, diffusion-like eigenvalue problem can be solved efficiently using a technique known as nonlinear elimination.
Teran, Natasha B; He, Guang S; Baev, Alexander; Shi, Yanrong; Swihart, Mark T; Prasad, Paras N; Marks, Tobin J; Reynolds, John R
2016-06-08
Exploiting synergistic cooperation between multiple sources of optical nonlinearity, we report the design, synthesis, and nonlinear optical properties of a series of electron-rich thiophene-containing donor-acceptor chromophores with condensed π-systems and sterically regulated inter-aryl twist angles. These structures couple two key mechanisms underlying optical nonlinearity, namely, (i) intramolecular charge transfer, greatly enhanced by increased electron density and reduced aromaticity at chromophore thiophene rings and (ii) a twisted chromophore geometry, producing a manifold of close-lying excited states and dipole moment changes between ground and excited states that are nearly twice that of untwisted systems. Spectroscopic, electrochemical, and nonlinear Z-scan measurements, combined with quantum chemical calculations, illuminate relationships between molecular structure and mechanisms of enhancement of the nonlinear refractive index. Experiment and calculations together reveal ground-state structures that are strongly responsive to the solvent polarity, leading to substantial negative solvatochromism (Δλ ≈ 10(2) nm) and prevailing zwitterionic/aromatic structures in the solid state and in polar solvents. Ground-to-excited-state energy gaps below 2.0 eV are obtained in condensed π-systems, with lower energy gaps for twisted versus untwisted systems. The real part of the second hyperpolarizability in the twisted structures is much greater than the imaginary part, with the highest twist angle chromophore giving |Re(γ)/Im(γ)| ≈ 100, making such chromophores very promising for all-optical-switching applications.
41 CFR 302-7.100 - How are the charges of transporting HHG, and temporary storage calculated?
Code of Federal Regulations, 2012 CFR
2012-07-01
... 41 Public Contracts and Property Management 4 2012-07-01 2012-07-01 false How are the charges of transporting HHG, and temporary storage calculated? 302-7.100 Section 302-7.100 Public Contracts and Property...) Commuted Rate § 302-7.100 How are the charges of transporting HHG, and temporary storage calculated?...
NASA Astrophysics Data System (ADS)
Allen, Jonathan Robert
This dissertation details work done on two different descriptions of charge transport. The first topic is energetic disorder in organic semiconductors, and its effect on charge transport. This is motivated primarily by solar cells, which can be broadly classified as either inorganic or organic. The inorganic class of solar cells is older, and more well-developed, with the most common type being constructed from crystalline silicon. The large silicon crystals required for these cells are expensive to manufacture, which gave rise to interest in photovoltaic cells made from much less costly organic polymers. These organic materials are also less efficient than their silicon counterparts, due to a large degree of spatial and energetic disorder. In this document, the sources and structure of energetic disorder in organic semiconductors are explored, with an emphasis on spatial correlations in energetic disorder. In order for an organic photovoltaic device to function, there must be photogeneration of an exciton (a bound electron-hole pair), exciton transport, exciton dissociation, and transport of the individual charges to their respective terminals. In the case of this thesis, the main focus is exciton dissociation. The effects of correlation on exciton dissociation are examined through computer simulation, and compared to the theory and simulations of previous researchers. We conclude that energetic disorder in organic semiconductors is spatially correlated, and that this correlation improves the ability of excitons to dissociate. The second topic of this dissertation is the Fragment Hamiltonian model. This is a model currently in development as a means of describing charge transport across a range of systems. Currently there are many different systems which exhibit various charge transport behaviors, which are described by several different models. The overarching goal of the Fragment Hamiltonian model is to construct a description of charge transport which
Transport of quantum excitations coupled to spatially extended nonlinear many-body systems
NASA Astrophysics Data System (ADS)
Iubini, Stefano; Boada, Octavi; Omar, Yasser; Piazza, Francesco
2015-11-01
The role of noise in the transport properties of quantum excitations is a topic of great importance in many fields, from organic semiconductors for technological applications to light-harvesting complexes in photosynthesis. In this paper we study a semi-classical model where a tight-binding Hamiltonian is fully coupled to an underlying spatially extended nonlinear chain of atoms. We show that the transport properties of a quantum excitation are subtly modulated by (i) the specific type (local versus non-local) of exciton-phonon coupling and by (ii) nonlinear effects of the underlying lattice. We report a non-monotonic dependence of the exciton diffusion coefficient on temperature, in agreement with earlier predictions, as a direct consequence of the lattice-induced fluctuations in the hopping rates due to long-wavelength vibrational modes. A standard measure of transport efficiency confirms that both nonlinearity in the underlying lattice and off-diagonal exciton-phonon coupling promote transport efficiency at high temperatures, preventing the Zeno-like quench observed in other models lacking an explicit noise-providing dynamical system.
Charge-dependent transport switching of single molecular ions in a weak polyelectrolyte multilayer.
Tauzin, Lawrence J; Shuang, Bo; Kisley, Lydia; Mansur, Andrea P; Chen, Jixin; de Leon, Al; Advincula, Rigoberto C; Landes, Christy F
2014-07-22
The tunable nature of weak polyelectrolyte multilayers makes them ideal candidates for drug loading and delivery, water filtration, and separations, yet the lateral transport of charged molecules in these systems remains largely unexplored at the single molecule level. We report the direct measurement of the charge-dependent, pH-tunable, multimodal interaction of single charged molecules with a weak polyelectrolyte multilayer thin film, a 10 bilayer film of poly(acrylic acid) and poly(allylamine hydrochloride) PAA/PAH. Using fluorescence microscopy and single-molecule tracking, two modes of interaction were detected: (1) adsorption, characterized by the molecule remaining immobilized in a subresolution region and (2) diffusion trajectories characteristic of hopping (D ∼ 10(-9) cm(2)/s). Radius of gyration evolution analysis and comparison with simulated trajectories confirmed the coexistence of the two transport modes in the same single molecule trajectories. A mechanistic explanation for the probe and condition mediated dynamics is proposed based on a combination of electrostatics and a reversible, pH-induced alteration of the nanoscopic structure of the film. Our results are in good agreement with ensemble studies conducted on similar films, confirm a previously-unobserved hopping mechanism for charged molecules in polyelectrolyte multilayers, and demonstrate that single molecule spectroscopy can offer mechanistic insight into the role of electrostatics and nanoscale tunability of transport in weak polyelectrolyte multilayers.
Debnath, A. K.; Kumar, A.; Samanta, S.; Singh, A.; Aswal, D. K.; Gupta, S. K.; Yakhmi, J. V.
2011-07-15
The charge transport properties of 100 nm thick cobalt phthalocyanine (CoPc) films grown on single crystal Al{sub 2}O{sub 3}(0001 oriented) and quartz substrates using molecular beam epitaxy, have been investigated as a function of applied bias ({+-} 50 V) at room temperature. Films grown on Al{sub 2}O{sub 3} are highly ordered and exhibited non-hysteretic current-voltage (J-V) characteristics. On the other hand, films grown on quartz substrates are highly disordered and exhibited hysteretic J-V characteristics due to charge trapping. The analysis of J-V characteristics of films on Al{sub 2}O{sub 3} substrates show that the transport is governed by shallow trap mediated space charge limited conduction (SCLC), while for the films grown on the quartz substrate transport is through the exponentially distributed traps mediated SCLC. X-ray photoelectron spectroscopy data show that charge trapping centers in the films grown on quartz substrates are created by chemisorbed oxygen.
McGrail, B. Peter
2001-10-31
A numerically based simulator was developed to assist in the interpretation of complex laboratory experiments examining transport processes of chemical and biological contaminants subject to nonlinear adsorption and/or source terms. The inversion is performed with any of three nonlinear regression methods, Marquardt-Levenberg, conjugate gradient, or quasi-Newton. The governing equations for the problem are solved by the method of finite-differences including any combination of three boundary conditions: (1) Dirichlet, (2) Neumann, and (3) Cauchy. The dispersive terms in the transport equations were solved using the second-order accurate in time and space Crank-Nicolson scheme, while the advective terms were handled using a third-order in time and space, total variation diminishing (TVD) scheme that damps spurious oscillations around sharp concentration fronts. The numerical algorithms were implemented in the computer code INVERTS, which runs on any standard personal computer. Apart from a comprehensive set of test problems, INVERTS was also used to model the elution of a nonradioactive tracer, {sup 185}Re, in a pressurized unsaturated flow (PUF) experiment with a simulated waste glass for low-activity waste immobilization. Interpretation of the elution profile was best described with a nonlinear kinetic model for adsorption.
Charge carrier transport and photogeneration in P3HT:PCBM photovoltaic blends.
Laquai, Frédéric; Andrienko, Denis; Mauer, Ralf; Blom, Paul W M
2015-06-01
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 methano-fullerene (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) cm(2) 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 mea-sured in P3HT:PCBM photovoltaic devices.
NASA Astrophysics Data System (ADS)
Hummon, Marissa Rachel
2009-12-01
This thesis examines charge transport in individual colloidal nanocrystals (quantum dots) using a scanning tunneling microscope. We observe coulomb blockade (CB) at room temperature and extract the charging energy of the quantum dot (QD). We analyze time-dependent CB measurements to determine the lifetime and energy of the trapped charge on the QD. A model of the lifetime is presented, furthering our analysis of the charge detrapping mechanism. We observe a hysteresis in the current-voltage (IV) tunneling spectra as the substrate bias is swept from empty to filled states and then back to empty states. This hysteresis is consistent with trapped charge(s) presenting an additional potential barrier to tunneling, a measure of CB. Traditional CB experiments measure a coulomb repulsion due to charge build-up on the island between two electrodes. We observe CB, hysteresis in successive IV sweeps, due to charge trapping/detrapping in a state other than the transport level. This trap state may be related to the dark state in blinking experiments. Optical and electrical measurements of QD trap states are often related to a puzzling physical phenomena observed universally in QDs: blinking. Blinking is the stochastic photoluminescence behavior of quantum dots, where, under constant excitation by a laser, a QD does not emit a continuous stream of photons. In fact, the QD will blink "on" and "off" for completely unpredictable durations that are thought to be related to the QD being in either a neutral or charged state. We measure a lifetime for the charged state of 15 +/- 7 s when Vsub ≤ 1.5 V and 170 +/- 140 ms when Vsub ≥ 1.6 V. The abrupt transition in lifetime between 1.5 and 1.6 V implies that this is the voltage necessary to lower the Au Fermi level equal to the trap state energy, thus allowing the trapped charge to tunnel out of the trap state. The voltage drop between the QD and substrate, determined from a self-consistent calculation of the relative capacitance
Charge transport in polycrystalline silicon thin-films on glass substrates
NASA Astrophysics Data System (ADS)
Scheller, L.-P.; Nickel, N. H.
2012-07-01
Charge carrier transport in solid-phase crystallized polycrystalline silicon (poly-Si) was investigated as a function of the deposition temperature, Td, the amorphous starting material and the used substrates. The samples were characterized using temperature dependent transport measurements to determine the carrier concentration, mobility, and conductivity. Samples prepared on a-SiN:H covered borofloat glass exhibit a low carrier concentration that is independent of Td. In these samples, charge transport is dominated by intra-grain scattering mechanisms. In contrast, when poly-Si is prepared on corning glass, the carrier concentration shows an inverted U-shape behavior with increasing deposition temperature. The Hall mobility is thermally activated, which is consistent with thermionic carrier emission over potential energy barriers. The change of the activation energy with experimental parameters is accompanied by a large change of the exponential prefactor by more than 4 orders of magnitude. This is indicative of a Meyer-Neldel behavior. Moreover, at low temperatures, the conductivity deviates from an activated behavior indicating hopping transport with a mean hopping distance of ≈140 Å and an energy difference of ≈82 meV between the participating states. To derive insight into the underlying transport mechanisms and to determine information on barrier energy heights and grain-boundary defect-densities, the experimental data were analyzed employing transport models for polycrystalline materials.
Effect of nanoparticles on charge transport in nanofluid-impregnated pressboard
NASA Astrophysics Data System (ADS)
Du, Yuefan; Lv, Yuzhen; Li, Chengrong; Chen, Mutian; Zhong, Yuxiang; Zhang, Shengnan; Zhou, You
2012-06-01
Transformer pressboard impregnated in mineral oil modified by nanoparticles (nanofluid) exhibits substantially higher AC and DC breakdown voltage than that of the pure oil-impregnated pressboard (OP). Charge transport and decay characteristics of both pressboards were measured by pulse electroacoustic technique. It reveals that nanofluid-impregnated pressboard (NP) has a more uniform internal electric field and a higher charge decay rate compared to OP, which is caused by an increase of shallow trap density in NP related to the difference of internal structures, based on the test results of thermally stimulated current and Fourier transformed infra-red spectroscopy.
NASA Astrophysics Data System (ADS)
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.
NASA Astrophysics Data System (ADS)
Park, Hee Chul; Ahn, Kang-Hun
2015-03-01
We develop a theory for charge transport in nano-electromechanical shuttles in the presence of hard-wall collision. We show that, in certain regimes, the time-averaged charge current is not predictable and is not an analytic function of applied voltage. The rectified electric current and its non-analyticity emerge from a non-Markovian process in the presence of the hard-wall collision, which causes chaotic motion of the shuttle. This work was supported by research fund of KIAS and Chungnam National University. Computations was supported by the CAC of KIAS.
NASA Technical Reports Server (NTRS)
Spjeldvik, W. N.
1981-01-01
Computer simulations of processes which control the relative abundances of ions in the trapping regions of geospace are compared with observations from discriminating ion detectors. Energy losses due to Coulomb collisions between ions and exospheric neutrals are considered, along with charge exchange losses and internal charge exchanges. The time evolution of energetic ion fluxes of equatorially mirroring ions under radial diffusion is modelled to include geomagnetic and geoelectric fluctutations. Limits to the validity of diffusion transport theory are discussed, and the simulation is noted to contain provisions for six ionic charge states and the source effect on the radiation belt oxygen ion distributions. Comparisons are made with ion flux data gathered on Explorer 45 and ISEE-1 spacecraft and results indicate that internal charge exchanges cause the radiation belt ion charge state to be independent of source charge rate characteristics, and relative charge state distribution is independent of the radially diffusive transport rate below the charge state redistribution zone.
Ha, Dong -Gwang; Kim, Jang -Joo; Baldo, Marc A.
2016-04-29
Mixed host compositions that combine charge transport materials with luminescent dyes offer superior control over exciton formation and charge transport in organic light emitting devices (OLEDs). Two approaches are typically used to optimize the fraction of charge transport materials in a mixed host composition: either an empirical percolative model, or a hopping transport model. We show that these two commonly-employed models are linked by an analytic expression which relates the localization length to the percolation threshold and critical exponent. The relation is confirmed both numerically and experimentally through measurements of the relative conductivity of Tris(4-carbazoyl-9-ylphenyl) amine (TCTA) :1,3-bis(3,5-dipyrid-3-yl-phenyl) benzene (BmPyPb)more » mixtures with different concentrations, where the TCTA plays a role as hole conductor and the BmPyPb as hole insulator. Furthermore, the analytic relation may allow the rational design of mixed layers of small molecules for high-performance OLEDs.« less
NASA Astrophysics Data System (ADS)
Hasegawa, Tatsuo
2015-10-01
Here we present and discuss our recent investigations into the understanding of microscopic charge transport, novel film processing technologies, and a development of layered-crystalline organic semiconductors for high performance OTFTs. We first discuss the microscopic charge transport in the OTFTs, as investigated by field-induced electron spin resonance spectroscopy. The technique can detect signals due to tiny amount of field-induced carriers, accumulated at the semiconductor-insulator interfaces. Following aspects are presented and discussed; 1) Carrier motion within the crystalline domains can be understood in terms of the trap-and-release transport, 2) charge trap states are spatially extended over several sites depending on the trap levels, and 3) the intra- and inter-domain transport can be discriminated by anisotropic electron spin resonance measurements. Next we discuss novel print production technologies for organic semiconductors showing high layered crystallinity. The concept of "printed electronics" is now regarded as a realistic paradigm to manufacture light-weight, thin, and impact-resistant electronics devices, although production of highly crystalline semiconductor films may be incompatible with conventional printing process. We here present printing techniques for manufacturing high performance OTFTs; 1) double-shot inkjet printing for small-molecule-based semiconductors, and 2) push-coating for semiconducting polymers. We demonstrate that both processes are useful to manufacture high quality semiconductor layers with the high layered crystallinity.
EBQ code: transport of space-charge beams in axially symmetric devices
Paul, A.C.
1982-11-01
Such general-purpose space charge codes as EGUN, BATES, WOLF, and TRANSPORT do not gracefully accommodate the simulation of relativistic space-charged beams propagating a long distance in axially symmetric devices where a high degree of cancellation has occurred between the self-magnetic and self-electric forces of the beam. The EBQ code was written specifically to follow high current beam particles where space charge is important in long distance flight in axially symmetric machines possessing external electric and magnetic field. EBQ simultaneously tracks all trajectories so as to allow procedures for charge deposition based on inter-ray separations. The orbits are treated in Cartesian geometry (position and momentum) with z as the independent variable. Poisson's equation is solved in cylindrical geometry on an orthogonal rectangular mesh. EBQ can also handle problems involving multiple ion species where the space charge from each must be included. Such problems arise in the design of ion sources where different charge and mass states are present.
High Order Finite Volume Nonlinear Schemes for the Boltzmann Transport Equation
Bihari, B L; Brown, P N
2005-03-29
The authors apply the nonlinear WENO (Weighted Essentially Nonoscillatory) scheme to the spatial discretization of the Boltzmann Transport Equation modeling linear particle transport. The method is a finite volume scheme which ensures not only conservation, but also provides for a more natural handling of boundary conditions, material properties and source terms, as well as an easier parallel implementation and post processing. It is nonlinear in the sense that the stencil depends on the solution at each time step or iteration level. By biasing the gradient calculation towards the stencil with smaller derivatives, the scheme eliminates the Gibb's phenomenon with oscillations of size O(1) and reduces them to O(h{sup r}), where h is the mesh size and r is the order of accuracy. The current implementation is three-dimensional, generalized for unequally spaced meshes, fully parallelized, and up to fifth order accurate (WENO5) in space. For unsteady problems, the resulting nonlinear spatial discretization yields a set of ODE's in time, which in turn is solved via high order implicit time-stepping with error control. For the steady-state case, they need to solve the non-linear system, typically by Newton-Krylov iterations. There are several numerical examples presented to demonstrate the accuracy, non-oscillatory nature and efficiency of these high order methods, in comparison with other fixed-stencil schemes.
NASA Astrophysics Data System (ADS)
Sadiq, Y.; Aktas, K.; Acar, S.; Salamov, B. G.
2010-06-01
Experimental results with nonlinear features and hysteresis characteristics in the pre-breakdown Townsend discharge regime is studied experimentally for a planar microstructure with a GaAs photocathode, an interelectrode gap thickness of 445 μm and gas pressure in the range 28-66 Torr. An investigation of the effect of the voltage amplitude on the dynamics of transient processes in the semiconductor gas discharge microstructure was made to explain the mechanism of the current decay. A linearly increasing voltage (i.e. 3 V s and 5 V s voltage rate) was applied to the system to study current instability. The nonlinear transport mechanism of carriers through the cross-section of the discharge gap i.e. the appearance of the spatio-temporal self-organization of a nonlinear dissipative system, non-equilibrium electron motion and autocatalytic effect of carrier accumulation in the gas layer attributed to decrease of current with the increase of applied voltage. It is established that the pre-breakdown current decreases anomalously with increase of the feeding voltage and illumination intensity on the photocathode. The current density change through the cross-section of the discharge gap, i.e. the appearance of the spatio-temporal self-organization of nonlinear dissipative systems, causes these observed effects. On the other hand, the oscillatory current with non-monotonic N-shaped and hysteresis peculiarities in post-breakdown region is known to be related to a nonlinear mechanism of carrier transport in the semiconductor material caused by EL2 defect centres.
Application of nonlinear adaptive motion washout to transport ground-handling simulation
NASA Technical Reports Server (NTRS)
Parrish, R. V.; Martin, D. J., Jr.
1983-01-01
The application of a nonlinear coordinated adaptive motion washout to the transport ground-handling environment is documented. Additions to both the aircraft math model and the motion washout system are discussed. The additions to the simulated-aircraft math model provided improved modeling fidelity for braking and reverse-thrust application, and the additions to the motion-base washout system allowed transition from the desired flight parameters to the less restrictive ground parameters of the washout.
Nonlinear Spectral Mixture Modeling of Lunar Multispectral: Implications for Lateral Transport
NASA Technical Reports Server (NTRS)
Mustard, John F.; Li, Lin; He, Guoqi
1997-01-01
Linear and nonlinear spectral mixture models applied to Clementine multispectral images of the Moon result in roughly similar spatial distributions of endmember abundances. However, there are important differences in the absolute values of the predicted abundances. The magnitude of these differences and the implications for understanding geological processes are investigated across a geologic contact between mare and highland in the Grimaldi Basin on the western nearside of the Moon. Vertical and lateral mass transport due to impact cratering has redistributed mare and highland materials across the contact, creating a gradient in composition. Solutions to linear and nonlinear spectral mixture models for identical spectral endmembers of mare, highland, and fresh crater materials are compared across this simple geologic contact in the Grimaldi Basin. Profiles of mare abundance across the contact are extracted and compared quantitatively. Profiles from the linear mixture models indicate that the geologic contact has an average mare abundance of 60%, and the compositional boundary is asymmetric with more mare transported onto the highland side of the contact than highland onto the mare side of the contact. In contrast the nonlinear abundance profiles indicate that the geologic contact has an average mare abundance of 50%, and the compositional boundary is remarkably symmetric. Given the expectation that materials will be intimately mixed on the surface of the Moon, and that the asymmetries implied by the linear model are not consistent with our understanding of lunar surface processes, the nonlinear spectral mixture model is preferred and should be applied whenever quantitative abundance information is required. The remarkable symmetry in the compositional gradients across this contact indicate that lateral mass transport dominates over vertical transport at this boundary.
Nonlinear spectral mixture modeling of lunar multispectral data: Implications for lateral transport
NASA Astrophysics Data System (ADS)
Mustard, John F.; Li, Lin; He, Guoqi
1998-08-01
Linear and nonlinear spectral mixture models applied to Clementine multispectral images of the Moon result in roughly similar spatial distributions of end-member abundances. However, there are important differences in the absolute values of the predicted abundances. The magnitude of these differences and the implications for understanding geological processes are investigated across a geologic contact between mare and highland in the Grimaldi Basin on the western nearside of the Moon. Vertical and lateral mass transport due to impact cratering has redistributed mare and highland materials across the contact, creating a gradient in composition. Solutions to linear and nonlinear spectral mixture models for identical spectral end-members of mature mare, mature highland, and fresh crater materials are compared across this simple geologic contact in the Grimaldi Basin. Formal estimates of uncertainty in the calculated fractions of the end-members are ~1%. Profiles of mare abundance across the contact are extracted and compared quantitatively. Profiles from the linear mixture models indicate that the geologic contact has an average mare abundance of 60% and the compositional boundary is asymmetric with more mare transported onto the highland side of the contact than highland onto the mare side of the contact. In contrast, the nonlinear abundance profiles indicate that the geologic contact has an average mare abundance of 50% and the compositional boundary is remarkably symmetric. Given the expectation that materials will be intimately mixed on the surface of the Moon and that the asymmetries implied by the linear model are not consistent with our understanding of lunar surface processes, the nonlinear spectral mixture model is preferred and should be applied whenever quantitative abundance information is required. The remarkable symmetry in the compositional gradients across this contact indicates that lateral mass transport dominates over vertical transport at this
Unifying diffusion and seepage for nonlinear gas transport in multiscale porous media
NASA Astrophysics Data System (ADS)
Song, Hongqing; Wang, Yuhe; Wang, Jiulong; Li, Zhengyi
2016-09-01
We unify the diffusion and seepage process for nonlinear gas transport in multiscale porous media via a proposed new general transport equation. A coherent theoretical derivation indicates the wall-molecule and molecule-molecule collisions drive the Knudsen and collective diffusive fluxes, and constitute the system pressure across the porous media. A new terminology, nominal diffusion coefficient can summarize Knudsen and collective diffusion coefficients. Physical and numerical experiments show the support of the new formulation and provide approaches to obtain the diffusion coefficient and permeability simultaneously. This work has important implication for natural gas extraction and greenhouse gases sequestration in geological formations.
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
2016-02-07
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.
Crafting zero-bias one-way transport of charge and spin
NASA Astrophysics Data System (ADS)
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.
Fast transport in phase space due to nonlinear wave-particle interaction in the radiation belts.
NASA Astrophysics Data System (ADS)
Artemyev, Anton; Vasiliev, Alexii; Mourenas, Didier; Agapitov, Oleksiy; Krasnoselskikh, Vladimir; Boscher, Daniel; Rolland, Guy
2014-05-01
We present an analytical, simplified formulation accounting for the fast transport of particles in phase space, in the presence of nonlinear wave-particle resonant interactions in an inhomogeneous magnetic field representative of the radiation belts. We show that the general approach for the description of the evolution of the particle velocity distribution based on the Fokker-Plank equation can be modified to consider the process of nonlinear wave-particle interaction, including particle trapping. Such a modification consists in one additional operator describing fast particle jumps in phase space. The proposed approach is illustrated by considering the acceleration of relativistic electrons by strongly oblique whistler waves. We determine the typical variation of electron phase-density due to nonlinear wave-particle interaction and compare this variation with pitch-angle/energy diffusion due to quasi-linear electron scattering. We show that relation between nonlinear and quasi-linear effects is controlled by the distribution of wave-amplitudes. When this distribution has a heavy tail, nonlinear effects can become dominant in the formation of the electron energy distribution.
Charge transport mechanisms in organic and microcrystalline silicon field-effect transistors
NASA Astrophysics Data System (ADS)
Konezny, S. J.; Bussac, M. N.; Geiser, A.; Zuppiroli, L.
2007-09-01
Several organic and inorganic materials have emerged as promising candidates for the active layer of field-effect transistors (FETs) fabricated on flexible substrates. The charge transport models necessary for device optimization in these systems are at different stages of development. The understanding of charge transport in single-crystal and thin-film FETs based on organic materials such as pentacene, rubrene, and other related compounds has advanced considerably in recent years and a clear picture of the relevant transport mechanisms is forming. In contrast, the theoretical description of transport in hydrogenated microcrystalline silicon (μc-Si:H) is not as well known and the published results and theories are often contradictory. We review the paradigms we feel are useful in describing the current understanding of transport in organic and μc-Si:H field-effect transistors. In the case of organic materials these include the polarization and transfer integral fluctuation model [A. Troisi and G. Orlandi, Phys. Rev. Lett. 96, 086601 (2006), J.-D. Picon et al., Phys. Rev. B 75, 235106 (2007)], the Frölich polaron model [I.N. Hulea et al., Nat. Mater. 5, 982 (2006), H. Houilli et al., J. Appl. Phys. 100, 033702 (2006)], and several trapping models [M.E. Gershenson et al., Rev. Mod. Phys. 78, 973 (2006), V. Podzorov et al., Phys Rev. Lett. 95, 226601 (2005)]. Given the heterogeneous composition and structure of microcrystalline silicon thin films, a variety of theories to describe dark conductivity have been applied to μc-Si:H including those based on percolation theory [H. Overhof et al., J. Non-Cryst. Solids 227-230, 992 (1998)], hopping models [A. Dussan and R. H. Buitrago, J. Appl. Phys. 97, 043711 (2005)], thermionic emission, and tunneling. We give a brief overview of these models and present a fluctuation-induced tunneling model that we are developing to describe charge transport in microcrystalline silicon.
NASA Astrophysics Data System (ADS)
Hasegawa, Tatsuo
2013-03-01
Most of high-performance organic thin-film transistors (OTFTs) as recently developed is attainable with non-doped, single-component π-conjugated materials that exhibit high layer crystallinity both for small-molecules and polymers. The layer crystallinity is quite suitable to compose channel transport layers of the OTFTs, although the main origin to hinder the charge transport or the intrinsic carrier mobility is still controversial; intra- or intermolecular electron-phonon coupling, polarization effects by the gate-dielectrics, or thermal or extrinsic disorder effects. Here we discuss the interface charge transport in the OTFTs, as investigated by field-induced electron spin resonance (FESR) technique that probes 1/2 spin of carriers induced by gate voltage. It is shown that the FESR technique is extremely useful especially for OTFTs, because of the fairly small spin-orbit interactions in organic materials as well as of the high layer crystallinity and the anisotropy. The following important aspects of the interface charge transport are presented and discussed: (1) Carrier motion in OTFTs can be understood in terms of the multiple trap-and-release (MTR) transport. The analyses of the motional narrowing effects allow us to estimate the average trap residence time that reaches about 1 ns. (2) Carriers are frozen at the respective trap sites at low temperature. The low-temperature spectral analyses allow us to obtain the distribution of trapped carriers over their degree of localization. (3) We also developed a unique technique to investigate the intra- and inter-domain transport in polycrystalline OTFTs by using anisotropic FESR measurements. The method allows us to evaluate the potential barrier height at the domain boundaries within the films.
Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering
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
Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics.
Gagorik, Adam G; Mohin, Jacob W; Kowalewski, Tomasz; Hutchison, Geoffrey R
2013-01-03
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.
Zero-point fluctuations in naphthalene and their effect on charge transport parameters.
Kwiatkowski, Joe J; Frost, Jarvist M; Kirkpatrick, James; Nelson, Jenny
2008-09-25
We calculate the effect of vibronic coupling on the charge transport parameters in crystalline naphthalene, between 0 and 400 K. We find that nuclear fluctuations can cause large changes in both the energy of a charge on a molecule and on the electronic coupling between molecules. As a result, nuclear fluctuations cause wide distributions of both energies and couplings. We show that these distributions have a small temperature dependence and that, even at high temperatures, vibronic coupling is dominated by the effect of zero-point fluctuations. Because of the importance of zero-point fluctuations, we find that the distributions of energies and couplings have substantial width, even at 0 K. Furthermore, vibronic coupling with high energy modes may be significant, even though these modes are never thermally activated. Our results have implications for the temperature dependence of charge mobilities in organic semiconductors.
Low Band Gap Thiophene-Perylene Diimide Systems with Tunable Charge Transport Properties
Balaji, Ganapathy; Kale, Tejaswini S.; Keerthi, Ashok; Della Pelle, Andrea M.; Thayumanavan, S.; Vallyaveettil, Surech
2010-11-30
Perylenediimide-pentathiophene systems with varied architecture of thiophene units were synthesized. The photophysical, electrochemical, and charge transport behavior of the synthesized compounds were studied. Both molecules showed a low band gap of ~1.4 eV. Surprisingly, the molecule with pentathiophene attached via β-position to the PDI unit upon annealing showed a predominant hole mobility of 1 × 10^{-4} cm^{2} V^{-1} s^{-1} whereas the compound with branched pentathiophene attached via β-position showed an electron mobility of 9.8 × 10^{-7} cm^{2} V^{-1} s^{-1}. This suggests that charge transport properties can be tuned by simply varying the architecture of pentathiophene units.
Zhong, Haijian; Liu, Zhenghui; Xu, Gengzhao; Shi, Lin; Fan, Yingmin; Yang, Hui; Xu, Ke Wang, Jianfeng; Ren, Guoqiang
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.
Effect of polymer matrices on hopping charge transport in molecularly doped polymers
NASA Astrophysics Data System (ADS)
Kanemitsu, Yoshihiko; Einami, Jiro
1990-08-01
We have studied the effect of polymer matrices on time-of-flight (TOF) photocurrent pulse shape and the drift mobility of holes in polymers doped with 2-(p-dipropylaminophenyl)-4-(p-dimethylaminophenyl)-5-(o-chlorophenyl)-1, 3-oxazole in order to understand the nature of hopping charge transport in molecularly doped polymers (MDPs). The TOF pulse shapes in oxazole-doped polymers are classed into two groups: near rectangular or dispersive shapes. The drift mobility of holes in MDPs exhibiting near-rectangular TOF shape is large compared with that exhibiting dispersive. Moreover, the drift mobility of holes depends on the dielectric constant and the glass transition temperature of polymers. These results show that the polarization and phonon mode of polymers play an important role in hopping charge transport in MDPs.
Unsupervised vector-based classification of single-molecule charge transport data
Lemmer, Mario; Inkpen, Michael S.; Kornysheva, Katja; Long, Nicholas J.; Albrecht, Tim
2016-01-01
The stochastic nature of single-molecule charge transport measurements requires collection of large data sets to capture the full complexity of a molecular system. Data analysis is then guided by certain expectations, for example, a plateau feature in the tunnelling current distance trace, and the molecular conductance extracted from suitable histogram analysis. However, differences in molecular conformation or electrode contact geometry, the number of molecules in the junction or dynamic effects may lead to very different molecular signatures. Since their manifestation is a priori unknown, an unsupervised classification algorithm, making no prior assumptions regarding the data is clearly desirable. Here we present such an approach based on multivariate pattern analysis and apply it to simulated and experimental single-molecule charge transport data. We demonstrate how different event shapes are clearly separated using this algorithm and how statistics about different event classes can be extracted, when conventional methods of analysis fail. PMID:27694904
PATH: a lumped-element beam-transport simulation program with space charge
Farrell, J.A.
1983-01-01
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.
NASA Astrophysics Data System (ADS)
Zimbovskaya, Natalya A.
2016-07-01
In this paper, we theoretically analyze steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. The thermally induced charge current in the system is explored using a nonequilibrium Green function formalism. We study the combined effects of Coulomb interactions between charge carriers on the bridge and electron-phonon interactions on the thermocurrent beyond the linear response regime. It is shown that electron-vibron interactions may significantly affect both the magnitude and the direction of the thermocurrent, and vibrational signatures may appear.
Pelzer, Kenley M.; Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; ...
2017-01-01
Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. Here we propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower thanmore » most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. In conclusion, much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Lastly, our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs.« less
Pelzer, Kenley M.; Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; Tretiak, Sergei; Bair, Raymond A.; Gray, Stephen K.; Van Voorhis, Troy; Larsen, Ross E.; Darling, Seth B.
2017-01-01
Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. Here we propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower than most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. In conclusion, much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Lastly, our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs.
Charge transport and structural dynamics in ultra-thin films of polymerized ionic liquids
NASA Astrophysics Data System (ADS)
Heres, Maximilian; Cosby, Tyler; Berdzinski, Stefan; Strehmel, Veronica; Benson, Roberto; Sangoro, Joshua
Ion conduction and structural dynamics in a series of ultra-thin films of imidazolium based polymerized ionic liquids are investigated using broadband dielectric spectroscopy, atomic force microscopy, and ellipsometry. No alteration in the characteristic charge transport rate is observed between bulk sample and films as thin as 12nm. These results are discussed within the recent approaches proposed to explain the confinement effects on structural dynamics in polymers and low molecular weight ionic liquids. NSF DRM Polymers Program.
Charge transport and recombination in P3HT:PbS solar cells
Firdaus, Yuliar; Khetubol, Adis; Van der Auweraer, Mark; Vandenplas, Erwin; Cheyns, David; Gehlhaar, Robert
2015-03-07
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.
NASA Astrophysics Data System (ADS)
Shi, Yarui; Wei, Huiling; Liu, Yufang
2015-03-01
Tetraazaperopyrenes (TAPPs) derivatives are high-performance n-type organic semiconductor material families with the remarkable long-term stabilities. The charge carrier mobilities in TAPPs derivatives crystals were calculated by the density functional theory (DFT) method combined with the Marcus-Hush electron-transfer theory. The existence of considerable C-H…F-C bonding defines the conformation of the molecular structure and contributes to its stability. We illustrated how it is possible to control the electronic and charge-transport parameters of TAPPs derivatives as a function of the positions, a type of the substituents. It is found that the core substitution of TAPPs has a drastic influence on the charge-transport mobilities. The maximum electron mobility value of the core-brominated 2,9-bis (perfluoroalkyl)-substituted TAPPs is 0.521 cm2 V-1 s-1, which appear in the orientation angle 95° and 275°. The results demonstrate that the TAPPs with bromine substituents in ortho positions exhibit the best charge-transfer efficiency among the four different TAPP derivatives.
NASA Astrophysics Data System (ADS)
Honda, Koichiro; Cho, Yasuo
2012-12-01
Using scanning nonlinear dielectric microscopy with high-sensitivity capacitance variation detection capability, we succeeded in the high-resolution visualization of accumulated charges in metal-SiO2-SiN-SiO2-Si flash memory by detecting the higher-order (2-4 order) nonlinear permittivity. The obtained image contrast can be interpreted using a higher-order differential coefficient (dnC/dVn) of a quasi-static C-V curve of the SiO2-SiN-SiO2-Si interface capacitance as a function of externally applied voltage. Moreover, by using a higher-order nonlinear image, the charge concentration resolution can be improved. Thus, improved resolution of the spatial charge distribution is expected through improvement of the concentration resolution by the imaging of higher-order nonlinear dielectric terms.
Design study of low-energy beam transport for multi-charge beams at RAON
NASA Astrophysics Data System (ADS)
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.
Li, Song-Lin; Tsukagoshi, Kazuhito; Orgiu, Emanuele; Samorì, Paolo
2016-01-07
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.
Charge transport and ac response under light illumination in gate-modulated DNA molecular junctions.
Zhang, Yan; Zhu, Wen-Huan; Ding, Guo-Hui; Dong, Bing; Wang, Xue-Feng
2015-05-22
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.
NASA Astrophysics Data System (ADS)
Lu, Y.; Cottone, F.; Boisseau, S.; Galayko, D.; Marty, F.; Basset, P.
2015-12-01
This paper reports for the first time a MEMS electrostatic vibration energy harvester (e-VEH) with corona-charged vertical electrets on its electrodes. The bandwidth of the 1-cm2 device is extended in low and high frequencies by nonlinear elastic stoppers. With a bias voltage of 46 V (electret@21 V + DC external source@25 V) between the electrodes, the RMS power of the device reaches 0.89 μW at 33 Hz and 6.6 μW at 428 Hz. The -3dB frequency band including the hysteresis is 223∼432 Hz, the one excluding the hysteresis 88∼166 Hz. We also demonstrate the charging of a 47 μF capacitor used for powering a wireless and autonomous temperature sensor node with a data transmission beyond 10 m at 868 MHz.
Hao, Jinsong; Li, S Kevin
2008-02-01
Transungual iontophoretic transport of model neutral permeants mannitol (MA), urea (UR), and positively charged permeant tetraethylammonium ion (TEA) across fully hydrated human nail plates at pH 7.4 were investigated in vitro. Four protocols were involved in the transport experiments with each protocol divided into stages including passive and iontophoresis transport of 0.1 and 0.3 mA. Water and permeant uptake experiments of nail clippings were also conducted to characterize the hydration and binding effects of the permeants to the nails. Iontophoresis enhanced the transport of MA and UR from anode to cathode, but this effect (electroosmosis) was marginal. The transport of TEA was significantly enhanced by anodal iontophoresis and the experimental enhancement factors were consistent with the Nernst-Planck theory predictions. Hindered transport was also observed and believed to be critical in transungual delivery. The barrier of the nail plates was stable over the time course of the study, and no significant electric field-induced alteration of the barrier was observed. The present results with hydrated nail plates are consistent with electrophoresis-dominant (the direct field effect) transungual iontophoretic transport of small ionic permeants with small contribution from electroosmosis.
Charge dependence of neoclassical and turbulent transport of light impurities on MAST
NASA Astrophysics Data System (ADS)
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.
Growing discharge trees with self-consistent charge transport: the collective dynamics of streamers
NASA Astrophysics Data System (ADS)
Luque, Alejandro; Ebert, Ute
2014-01-01
We introduce the generic structure of a growth model for branched discharge trees that consistently combines a finite channel conductivity with the physical law of charge conservation. It is applicable, e.g., to streamer coronas near tip or wire electrodes and ahead of lightning leaders, to leaders themselves and to the complex breakdown structures of sprite discharges high above thunderclouds. Then we implement and solve the simplest model for positive streamers in ambient air with self-consistent charge transport. We demonstrate that charge conservation contradicts the common assumption of dielectric breakdown models that the electric fields inside all streamers are equal to the so-called stability field and we even find cases of local field inversion. We also find that, counter-intuitively, the inner branches of a positive-streamer tree are negatively charged, which provides a natural explanation for the observed reconnections of streamers in laboratory experiments and in sprites. Our simulations show the structure of an overall ‘streamer of streamers’ that we name collective streamer front, and predict effective streamer branching angles, the charge structure within streamer trees and streamer reconnection.
Design of the low energy beam transport line between CARIBU and the EBIS charge breeder
Perry, A.; Ostroumov, P. N.; Barcikowski, A.; Dickerson, C.; Kondrashev, S. A.; Mustapha, B.; Savard, G.
2015-01-09
An Electron Beam Ion Source Charge Breeder (EBIS-CB) has been developed to breed radioactive beams from the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) facility at ATLAS. The EBIS-CB will replace the existing ECR charge breeder to increase the intensity and improve the purity of reaccelerated radioactive ion beams. The EBIS-CB is in the final stage of off-line commissioning. Currently, we are developing a low energy beam transport (LEBT) system to transfer CARIBU beams to the EBIS-CB. As was originally planned, an RFQ cooler-buncher will precede the EBIS-CB. Recently, it was decided to include a multi-reflection time-of-flight (MR-TOF) mass-spectrometer following the RFQ. MR-TOF is a relatively new technology used to purify beams with a mass-resolving power up to 3×10{sup 5} as was demonstrated in experiments at CERN/ISOLDE. Very high purity singly-charged radioactive ion beams will be injected into the EBIS for charge breeding and due to its inherent properties, the EBIS-CB will maintain the purity of the charge bred beams. Possible contamination of residual gas ions will be greatly suppressed by achieving ultra-high vacuum in the EBIS trap. This paper will present and discuss the design of the LEBT and the overall integration of the EBIS-CB into ATLAS.
Design of the low energy beam transport line between CARIBU and the EBIS charge breeder
NASA Astrophysics Data System (ADS)
Perry, A.; Ostroumov, P. N.; Barcikowski, A.; Dickerson, C.; Kondrashev, S. A.; Mustapha, B.; Savard, G.
2015-01-01
An Electron Beam Ion Source Charge Breeder (EBIS-CB) has been developed to breed radioactive beams from the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) facility at ATLAS. The EBIS-CB will replace the existing ECR charge breeder to increase the intensity and improve the purity of reaccelerated radioactive ion beams. The EBIS-CB is in the final stage of off-line commissioning. Currently, we are developing a low energy beam transport (LEBT) system to transfer CARIBU beams to the EBIS-CB. As was originally planned, an RFQ cooler-buncher will precede the EBIS-CB. Recently, it was decided to include a multi-reflection time-of-flight (MR-TOF) mass-spectrometer following the RFQ. MR-TOF is a relatively new technology used to purify beams with a mass-resolving power up to 3×105 as was demonstrated in experiments at CERN/ISOLDE. Very high purity singly-charged radioactive ion beams will be injected into the EBIS for charge breeding and due to its inherent properties, the EBIS-CB will maintain the purity of the charge bred beams. Possible contamination of residual gas ions will be greatly suppressed by achieving ultra-high vacuum in the EBIS trap. This paper will present and discuss the design of the LEBT and the overall integration of the EBIS-CB into ATLAS.
Shi, Jiangjian; Li, Dongmei; Luo, Yanhong; Wu, Huijue; Meng, Qingbo
2016-12-01
An opto-electro-modulated transient photovoltage/photocurrent system has been developed to probe microscopic charge processes of a solar cell in its adjustable operating conditions. The reliability of this system is carefully determined by electric circuit simulations and experimental measurements. Using this system, the charge transport, recombination and storage properties of a conventional multicrystalline silicon solar cell under different steady-state bias voltages, and light illumination intensities are investigated. This system has also been applied to study the influence of the hole transport material layer on charge extraction and the microscopic charge processes behind the widely considered photoelectric hysteresis in perovskite solar cells.
NASA Astrophysics Data System (ADS)
Shi, Jiangjian; Li, Dongmei; Luo, Yanhong; Wu, Huijue; Meng, Qingbo
2016-12-01
An opto-electro-modulated transient photovoltage/photocurrent system has been developed to probe microscopic charge processes of a solar cell in its adjustable operating conditions. The reliability of this system is carefully determined by electric circuit simulations and experimental measurements. Using this system, the charge transport, recombination and storage properties of a conventional multicrystalline silicon solar cell under different steady-state bias voltages, and light illumination intensities are investigated. This system has also been applied to study the influence of the hole transport material layer on charge extraction and the microscopic charge processes behind the widely considered photoelectric hysteresis in perovskite solar cells.
Variable Charge State Impurities in Coupled Kinetic Plasma-Kinetic Neutral Transport Simulations
NASA Astrophysics Data System (ADS)
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.
Schiperski, Ferry; Zirlewagen, Johannes; Scheytt, Traugott
2016-08-02
Although karst aquifers are far more susceptible to contamination than porous aquifers, with the transport of particulate matter being an important factor, little is known about the attenuation of solutes within karst aquifers and even less about the attenuation of particulate matter. These in situ investigations have therefore aimed to systematically identify the processes that influence the transport and attenuation of particles within a karst aquifer through multitracer testing, using four different types of 1 μm fluorescent particles and the fluorescent dye uranine. Each of the types of particles used were detected at the observed spring, which drains the investigated aquifer. However, the transport behavior varied significantly between the various particles and the uranine dye, with the breakthrough of particles occurring slightly earlier than that of uranine. Attenuation was determined from the tracer recovery and attributed to filtration processes. These processes were affected by the hydrophobicity and surface charge of the particles. Carboxylated polystyrene particles with a density and surface charge comparable to pathogenic microorganisms were found to be mobile in groundwater over a distance of about 3 km. No attenuation was observed for plain silica particles. Particles with these characteristics thus pose a major threat to karst spring water as they might occur as contaminants themselves or facilitate the transport of other contaminants.
Medina, Dana D; Petrus, Michiel L; Jumabekov, Askhat N; Margraf, Johannes T; Weinberger, Simon; Rotter, Julian M; Clark, Timothy; Bein, Thomas
2017-02-22
Charge-carrier transport in oriented COF thin films is an important factor for realizing COF-based optoelectronic devices. We describe how highly oriented electron-donating benzodithiophene BDT-COF thin films serve as a model system for a directed charge-transport study. Oriented BDT-COF films were deposited on different electrodes with excellent control over film roughness and topology, allowing for high-quality electrode-COF interfaces suitable for device fabrication. Hole-only devices were constructed to study the columnar hole mobility of the BDT-COF films. The transport measurements reveal a clear dependency of the measured hole mobilities on the BDT-COF film thickness, where thinner films showed about two orders of magnitude higher mobilities than thicker ones. Transport measurements under illumination yielded an order of magnitude higher mobility than in the dark. In-plane electrical conductivity values of up to 5 × 10(-7) S cm(-1) were obtained for the oriented films. Impedance measurements of the hole-only devices provided further electrical description of the oriented BDT-COF films in terms of capacitance, recombination resistance, and dielectric constant. An exceptionally low dielectric constant value of approximately 1.7 was estimated for the BDT-COF films, a further indication of their highly porous nature. DFT and molecular-dynamics simulations were carried out to gain further insights into the relationships between the COF layer interactions, electronic structure, and the potential device performance.
NASA Astrophysics Data System (ADS)
Mendels, Dan; Tessler, Nir
2015-03-01
By implementing Monte Carlo simulations and employing the concept of effective temperature, we explore the effects of an applied field bias on the charge carrier statistics and Peltier coefficient in hopping systems subject to the parameter range applicable to disordered organic semiconductors. Distinct differences are found between the observed field dependences as obtained from systems in which energetic disorder is spatially correlated and those in which it is not. Considerable differences are also found between the charge carrier statistics and the Peltier coefficient's field dependence in systems in which charge is transported by bare charge carriers and systems in which it is propagated by polarons. Peltier coefficient field dependence investigations are, hence, proposed as a new tool for studying charge transport and thermoelectricity in disordered organic semiconductors and systems which exhibit thermally activated transport in general.
Nonlinear physics and energetic particle transport features of the beam-plasma instability
NASA Astrophysics Data System (ADS)
Carlevaro, Nakia; Falessi, Matteo V.; Montani, Giovanni; Zonca, Fulvio
2015-10-01
> In this paper we study transport features of a one-dimensional beam-plasma system in the presence of multiple resonances. As a model description of the general problem of a warm energetic particle beam, we assume cold supra-thermal beams and investigate the self-consistent evolution in the presence of the complete spectrum of nearly degenerate Langmuir modes. A qualitative transport estimation is obtained by computing the Lagrangian Coherent Structures of the system on given temporal scales. This leads to the splitting of the phase space into regions where the local transport processes are relatively faster. The general theoretical framework is applied to the case of the nonlinear dynamics of two cold beams, for which numerical simulation results are illustrated and analysed.
Charge Transport in Field-Effect Transistors based on Layered Materials and their Heterostructures
NASA Astrophysics Data System (ADS)
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.
Charge transport across high surface area metal/diamond nanostructured composites.
Plana, D; Humphrey, J J L; Bradley, K A; Celorrio, V; Fermín, D J
2013-04-24
High surface area composites featuring metal nanostructures and diamond particles have generated a lot of interest in the fields of heterogeneous catalysis, electrocatalysis, and sensors. Diamond surfaces provide a chemically robust framework for active nanostructures in comparison with sp(2) carbon supports. The present paper investigates the charge transport properties of high surface area films of high-pressure, high-temperature diamond particles in the presence and absence of metal nanostructures, employing electrochemical field-effect transistors. Oxygen- and hydrogen-terminated surfaces were generated on 500 nm diamond powders. Homogeneously distributed metal nanostructures, with metal volume fractions between ca. 5 and 20%, were either nucleated at the diamond particles by impregnation or incorporated from colloidal solution. Electrochemical field-effect transistor measurements, employing interdigitated electrodes, allowed the determination of composite conductivity as a function of electrode potential, as well as in air. In the absence of metal nanostructures, the lateral conductivity of the diamond assemblies in air is increased by over one order of magnitude upon hydrogenation of the particle surface. This observation is consistent with studies at diamond single crystals, although the somewhat modest change in conductivity suggests that charge transport is not only determined by the intrinsic surface conductivity of individual diamond particles but also by particle-to-particle charge transfer. Interestingly, the latter contribution effectively controls the assembly conductivity in the presence of an electrolyte solution as the difference between hydrogenated and oxygenated particles vanishes. The conductivity in the presence of metal nanoparticles is mainly determined by the metal volume fraction, while diamond surface termination and the presence of electrolyte solutions exert only minor effects. The experimental trends are discussed in terms of the
Energy transport in weakly nonlinear wave systems with narrow frequency band excitation.
Kartashova, Elena
2012-10-01
A novel discrete model (D model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of energy transport between modes, namely, intermittency and energy cascade, and gives the conditions under which each regime will take place. Conditions for the formation of a cascade, cascade direction, conditions for cascade termination, etc., are given and depend strongly on the choice of excitation parameters. The energy spectra of a cascade may be computed, yielding discrete and continuous energy spectra. The model does not require statistical assumptions, as all effects are derived from the interaction of distinct modes. In the example given-surface water waves with dispersion function ω(2)=gk and small nonlinearity-the D model predicts asymmetrical growth of side-bands for Benjamin-Feir instability, while the transition from discrete to continuous energy spectrum, excitation parameters properly chosen, yields the saturated Phillips' power spectrum ~g(2)ω(-5). The D model can be applied to the experimental and theoretical study of numerous wave systems appearing in hydrodynamics, nonlinear optics, electrodynamics, plasma, convection theory, etc.
Charge-transport anisotropy in black phosphorus: critical dependence on the number of layers.
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.
NASA Astrophysics Data System (ADS)
Mišković, Olivera; Olea, Rodrigo
2011-01-01
Motivated by possible applications within the framework of anti-de Sitter gravity/conformal field theory correspondence, charged black holes with AdS asymptotics, which are solutions to Einstein-Gauss-Bonnet gravity in D dimensions, and whose electric field is described by nonlinear electrodynamics are studied. For a topological static black hole ansatz, the field equations are exactly solved in terms of the electromagnetic stress tensor for an arbitrary nonlinear electrodynamic Lagrangian in any dimension D and for arbitrary positive values of Gauss-Bonnet coupling. In particular, this procedure reproduces the black hole metric in Born-Infeld and conformally invariant electrodynamics previously found in the literature. Altogether, it extends to D>4 the four-dimensional solution obtained by Soleng in logarithmic electrodynamics, which comes from vacuum polarization effects. Falloff conditions for the electromagnetic field that ensure the finiteness of the electric charge are also discussed. The black hole mass and vacuum energy as conserved quantities associated to an asymptotic timelike Killing vector are computed using a background-independent regularization of the gravitational action based on the addition of counterterms which are a given polynomial in the intrinsic and extrinsic curvatures.
Bannunah, Azzah M; Vllasaliu, Driton; Lord, Jennie; Stolnik, Snjezana
2014-12-01
This study investigated the effect of nanoparticle size (50 and 100 nm) and surface charge on their interaction with Caco-2 monolayers as a model of the intestinal epithelium, including cell internalization pathways and the level of transepithelial transport. Initially, toxicity assays showed that cell viability and cell membrane integrity were dependent on the surface charge and applied mass, number, and total surface area of nanoparticles, as tested in two epithelial cell lines, colon carcinoma Caco-2 and airway Calu-3. This also identified suitable nanoparticle concentrations for subsequent cell uptake experiments. Nanoparticle application at doses below half maximal effective concentration (EC₅₀) revealed that the transport efficiency (ratio of transport to cell uptake) across Caco-2 cell monolayers is significantly higher for negatively charged nanoparticles compared to their positively charged counterparts (of similar size), despite the higher level of internalization of positively charged systems. Cell internalization pathways were hence probed using a panel of pharmacological inhibitors aiming to establish whether the discrepancy in transport efficiency is due to different uptake and transport pathways. Vesicular trans-monolayer transport for both positively and negatively charged nanoparticles was confirmed via inhibition of dynamin (by dynasore) and microtubule network (via nocodazole), which significantly reduced the transport of both nanoparticle systems. For positively charged nanoparticles a significant decrease in internalization and transport (46% and 37%, respectively) occurred in the presence of a clathrin pathway inhibitor (chlorpromazine), macropinocytosis inhibition (42%; achieved by 5-(N-ethyl-N-isopropyi)-amiloride), and under cholesterol depletion (38%; via methyl-β-cyclodextrin), but remained unaffected by the inhibition of lipid raft associated uptake (caveolae) by genistein. On the contrary, the most prominent reduction in
NASA Astrophysics Data System (ADS)
Arie Cirpka, Olaf; Sanz-Prat, Alicia; Loschko, Matthias; Finkel, Michael; Lu, Chuanhe
2016-04-01
Travel-time based concepts of modeling subsurface transport have been established as computationally efficient alternatives to spatially explicit simulation methods. The spatial coordinates are replaced by travel time, resulting in one-dimensional transport with a constant „velocity" of unity. The concept is straight forward in linear transport applications, and under these conditions the results are exact provided that the coefficients of linear transport don't vary in space. In nonlinear transport, mixing can jeopardize the validity of the approach. This holds particularly true for transverse mixing, exchanging solute mass between streamtubes. We have performed systematic analyses of nonlinear bioreactive transport, involving oxygen, nitrate, organic carbon, as well as aerobic and denitrifying bacteria to analyzed under which conditions the errors introduced by travel-time and similar formulations are negligible. In steady-state flows with uniform reactive parameters, an excellent agreement between multi-dimensional reactive transport results, affected by transverse dispersion and flow heterogeneity, and one-dimensional travel-time results could be achieved by mapping the reactive-species concentrations to the multi-dimensional domain according to the local mean groundwater age. Aliasing of local transverse dispersion to macroscopically longitudinal mixing can be addressed by using a distance-dependent longitudinal dispersion coefficient. The approach also works for transient flows as long as the direction of flow remains constant and only the magnitude varies. Under these conditions, the groundwater age for the time-averaged velocity field is an adequate mapping variable, provided that flow transients are accounted for in the one- and multi-dimensional simulations. If the reaction takes place only in specific regions, the time of exposure to the according conditions is a better predictor of reactive transport than the overall travel time. Spatially variable
Theoretical characterization of charge transport in chromia (α-Cr2O3)
NASA Astrophysics Data System (ADS)
Iordanova, N.; Dupuis, M.; Rosso, K. M.
2005-08-01
Transport of conduction electrons and holes through the lattice of α-Cr2O3 (chromia) is modeled as a valence alternation of chromium cations using ab initio electronic structure calculations and electron-transfer theory. In the context of the small polaron model, a cluster approach was used to compute quantities controlling the mobility of localized electrons and holes, i.e., the reorganization energy and the electronic coupling matrix element that enter Marcus' theory. The calculation of the electronic coupling followed the generalized Mulliken-Hush approach using the complete active space self-consistent-field (CASSCF) method and the quasidiabatic method. Our findings indicate that hole mobility is more than three orders of magnitude larger than electron mobility in both (001) and [001] lattice directions. The difference arises mainly from the larger internal reorganization energy calculated for electron-transport relative to hole-transport processes while electronic couplings have similar magnitudes. The much larger hole mobility versus electron mobility in α-Cr2O3 is in contrast to similar hole and electron mobilities in hematite α-Fe2O3 previously calculated. Our calculations also indicate that the electronic coupling for all charge-transfer processes of interest is smaller than for the corresponding processes in hematite. This variation is attributed to the weaker interaction between the metal 3d states and the O(2p ) states in chromia than in hematite, leading to a smaller overlap between the charge-transfer donor and acceptor wave functions and smaller superexchange coupling in chromia. Nevertheless, the weaker coupling in chromia is still sufficiently large to suggest that charge-transport processes in chromia are adiabatic in nature. The electronic coupling is found to depend on both the superexchange interaction through the bridging oxygen atoms and the d-shell electron-spin coupling within the Cr-Cr donor-acceptor pair, while the reorganization
Analytical and numerical studies of photo-injected charge transport in molecularly-doped polymers
NASA Astrophysics Data System (ADS)
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.
Bulk charge carrier transport in push-pull type organic semiconductor.
Karak, Supravat; Liu, Feng; Russell, Thomas P; Duzhko, Volodimyr V
2014-12-10
Operation of organic electronic and optoelectronic devices relies on charge transport properties of active layer materials. The magnitude of charge carrier mobility, a key efficiency metrics of charge transport properties, is determined by the chemical structure of molecular units and their crystallographic packing motifs, as well as strongly depends on the film fabrication approaches that produce films with different degrees of anisotropy and structural order. Probed by the time-of-flight and grazing incidence X-ray diffraction techniques, bulk charge carrier transport, molecular packing, and film morphology in different structural phases of push-pull type organic semiconductor, 7,7'-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(6-fluoro-4-(5'-hexyl-[2,2'-bithiophen]-5yl)benzo[c][1,2,5] thiadiazole), one of the most efficient small-molecule photovoltaic materials to-date, are described herein. In the isotropic phase, the material is ambipolar with high mobilities for a fluid state. The electron and hole mobilities at the phase onset at 210.78 °C are 1.0 × 10(-3) cm(2)/(V s) and 6.5 × 10(-4) cm(2)/(V s), respectively. Analysis of the temperature and electric field dependences of the mobilities in the framework of Gaussian disorder formalism suggests larger energetic and positional disorder for electron transport sites. Below 210 °C, crystallization into a polycrystalline film with a triclinic unit cell symmetry and high degree of anisotropy leads to a 10-fold increase of hole mobility. The mobility is limited by the charge transfer along the direction of branched alkyl side chains. Below 90 °C, faster cooling rates produce even higher hole mobilities up to 2 × 10(-2) cm(2)/(V s) at 25 °C because of the more isotropic orientations of crystalline domains. These properties facilitate in understanding efficient material performance in photovoltaic devices and will guide further development of materials and devices.
Ground State and Charge Renormalization in a Nonlinear Model of Relativistic Atoms
NASA Astrophysics Data System (ADS)
Gravejat, Philippe; Lewin, Mathieu; Séré, Éric
2009-02-01
We study the reduced Bogoliubov-Dirac-Fock (BDF) energy which allows to describe relativistic electrons interacting with the Dirac sea, in an external electrostatic potential. The model can be seen as a mean-field approximation of Quantum Electrodynamics (QED) where photons and the so-called exchange term are neglected. A state of the system is described by its one-body density matrix, an infinite rank self-adjoint operator which is a compact perturbation of the negative spectral projector of the free Dirac operator (the Dirac sea). We study the minimization of the reduced BDF energy under a charge constraint. We prove the existence of minimizers for a large range of values of the charge, and any positive value of the coupling constant α. Our result covers neutral and positively charged molecules, provided that the positive charge is not large enough to create electron-positron pairs. We also prove that the density of any minimizer is an L 1 function and compute the effective charge of the system, recovering the usual renormalization of charge: the physical coupling constant is related to α by the formula αphys ≃ α(1 + 2α/(3π) log Λ)-1, where Λ is the ultraviolet cut-off. We eventually prove an estimate on the highest number of electrons which can be bound by a nucleus of charge Z. In the nonrelativistic limit, we obtain that this number is ≤ 2 Z, recovering a result of Lieb. This work is based on a series of papers by Hainzl, Lewin, Séré and Solovej on the mean-field approximation of no-photon QED.
Charge Carrier Transport Mechanism Based on Stable Low Voltage Organic Bistable Memory Device.
Ramana, V V; Moodley, M K; Kumar, A B V Kiran; Kannan, V
2015-05-01
A solution processed two terminal organic bistable memory device was fabricated utilizing films of polymethyl methacrylate PMMA/ZnO/PMMA on top of ITO coated glass. Electrical characterization of the device structure showed that the two terminal device exhibited favorable switching characteristics with an ON/OFF ratio greater than 1 x 10(4) when the voltage was swept between - 2 V and +3 V. The device maintained its state after removal of the bias voltage. The device did not show degradation after a 1-h retention test at 120 degrees C. The memory functionality was consistent even after fifty cycles of operation. The charge transport switching mechanism is discussed on the basis of carrier transport mechanism and our analysis of the data shows that the charge carrier trans- port mechanism of the device during the writing process can be explained by thermionic emission (TE) and space-charge-limited-current (SCLC) mechanism models while erasing process could be explained by the FN tunneling mechanism. This demonstration provides a class of memory devices with the potential for low-cost, low-power consumption applications, such as a digital memory cell.
Redox probing study of the potential dependence of charge transport through Li2O2
Knudsen, Kristian B.; Luntz, Alan C.; Jensen, Søren H.; ...
2015-11-20
In the field of energy storage devices the pursuit for cheap, high energy density, reliable secondary batteries is at the top of the agenda. The Li–O2 battery is one of the possible technologies that, in theory, should be able to close the gap, which exists between the present state-of-the-art Li-ion technologies and the demand placed on batteries by technologies such as electrical vehicles. Here we present a redox probing study of the charge transfer across the main deposition product lithium peroxide, Li2O2, in the Li–O2 battery using outer-sphere redox shuttles. The change in heterogeneous electron transfer exchange rate as amore » function of the potential and the Li2O2 layer thickness (~depth-of-discharge) was determined using electrochemical impedance spectroscopy. In addition, the attenuation of the electron transfer exchange rate with film thickness is dependent on the probing potential, providing evidence that hole transport is the dominant process for charge transfer through Li2O2 and showing that the origin of the sudden death observed upon discharge is due to charge transport limitations.« less
Mapping the Competition between Exciton Dissociation and Charge Transport in Organic Solar Cells.
Oh, Soong Ju; Kim, Jong Bok; Mativetsky, Jeffrey M; Loo, Yueh-Lin; Kagan, Cherie R
2016-10-03
The competition between exciton dissociation and charge transport in organic solar cells comprising poly(3-hexylthiophene) [P3HT] and phenyl-C61-butyric acid methyl ester [PCBM] is investigated by correlated scanning confocal photoluminescence and photocurrent microscopies. Contrary to the general expectation that higher photoluminescence quenching is indicative of higher photocurrent, microscale mapping of bulk-heterojunction solar-cell devices shows that photoluminescence quenching and photocurrent can be inversely proportional to one another. To understand this phenomenon, we construct a model system by selectively laminating a PCBM layer onto a P3HT film to form a PCBM/P3HT planar junction on half of the device and a P3HT single junction on the other half. Upon thermal annealing to allow for interdiffusion of PCBM into P3HT, an inverse relationship between photoluminescence quenching and photocurrent is observed at the boundary between the PCBM/P3HT junction and P3HT layer. Incorporation of PCBM in P3HT works to increase photoluminescence quenching, consistent with efficient charge separation, but conductive atomic force microscopy measurements reveal that PCBM acts to decrease P3HT hole mobility, limiting the efficiency of charge transport. This suggests that photoluminescence-quenching measurements should be used with caution in evaluating new organic materials for organic solar cells.
Villanueva-Cab, J; Anta, J A; Oskam, G
2016-05-28
Correction for 'The effect of recombination under short-circuit conditions on the determination of charge transport properties in nanostructured photoelectrodes' by J. Villanueva-Cab et al., Phys. Chem. Chem. Phys., 2016, 18, 2303-2308.
NASA Astrophysics Data System (ADS)
Bicken, Gurcan
This dissertation deals with the analysis and identification of quadratic non-linearities in hydrodynamic transport problems arising in engineering and science. As representative application areas, homogenous oscillations of electron and ion plasmas in a 1-D periodic domain and the forced voltage-current dynamics of a semiconductor device are considered. The time series data obtained from numerical solutions of the associated hydrodynamic equations are used for the spectral analysis of the quadratic nonlinearities in these respective systems. More specifically, electron plasma oscillations are analyzed using power spectra and cross-bicoherency spectra to gain insight into the quadratic interactions predicted by a simple model of the energy transfer that cascades from lower modes to higher modes within a small amplitude range of oscillations. The efficiency of the bicoherency function in detecting the quadratic wave interactions from the complex time series of the mode amplitudes is observed. The difference in the modal interactions for isentropic and isothermal plasma models are investigated based on numerical 'experiments' simulating the modal dynamics in each case. Furthermore, the concentration oscillations of cold ion plasmas in a Lagrangian frame are analyzed for different Debye lengths. The detailed effects of linear and nonlinear mechanisms in the hydrodynamic model on the power spectra of the oscillations are investigated. Second-order Volterra models are considered for approximating the dynamics of input-output systems with quadratic nonlinear terms. The linear and quadratic kernels of the Volterra model are estimated using multi- tone inputs and least-squares minimization. The implications of the non-orthogonality of the model are investigated in detail. To circumvent the negative effects of non-orthogonality on the accuracy of the kernel estimation, an 'odd-even' separation technique is utilized in the kernel estimation. This approach for estimating an
Charge transport model in solid-state avalanche amorphous selenium and defect suppression design
NASA Astrophysics Data System (ADS)
Scheuermann, James R.; Miranda, Yesenia; Liu, Hongyu; Zhao, Wei
2016-01-01
Avalanche amorphous selenium (a-Se) in a layer of High Gain Avalanche Rushing Photoconductor (HARP) is being investigated for its use in large area medical imagers. Avalanche multiplication of photogenerated charge requires electric fields greater than 70 V μm-1. For a-Se to withstand this high electric field, blocking layers are used to prevent the injection of charge carriers from the electrodes. Blocking layers must have a high injection barrier and deep trapping states to reduce the electric field at the interface. In the presence of a defect in the blocking layer, a distributed resistive layer (DRL) must be included into the structure to build up space charge and reduce the electric field in a-Se and the defect. A numerical charge transport model has been developed to optimize the properties of blocking layers used in various HARP structures. The model shows the incorporation of a DRL functionality into the p-layer can reduce dark current at a point defect by two orders of magnitude by reducing the field in a-Se to the avalanche threshold. Hole mobility in a DRL of ˜10-8 cm2 V-1 s-1 at 100 V μm-1 as demonstrated by the model can be achieved experimentally by varying the hole mobility of p-type organic or inorganic semiconductors through doping, e.g., using Poly(9-vinylcarbozole) doped with 1%-3% (by weight) of poly(3-hexylthiopene).
Secondary electron emission and self-consistent charge transport in semi-insulating samples
Fitting, H.-J.; Touzin, M.
2011-08-15
Electron beam induced self-consistent charge transport and secondary electron emission (SEE) in insulators are described by means of an electron-hole flight-drift model (FDM) now extended by a certain intrinsic conductivity (c) and are implemented by an iterative computer simulation. Ballistic secondary electrons (SE) and holes, their attenuation to drifting charge carriers, and their recombination, trapping, and field- and temperature-dependent detrapping are included. As a main result the time dependent ''true'' secondary electron emission rate {delta}(t) released from the target material and based on ballistic electrons and the spatial distributions of currents j(x,t), charges {rho}(x,t), field F(x,t), and potential V(x,t) are obtained where V{sub 0} = V(0,t) presents the surface potential. The intrinsic electronic conductivity limits the charging process and leads to a conduction sample current to the support. In that case the steady-state total SE yield will be fixed below the unit: i.e., {sigma} {eta} + {delta} < 1.
NASA Astrophysics Data System (ADS)
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.
Jana, Partha Sarathi; Katuri, Krishna; Kavanagh, Paul; Kumar, Amit; Leech, Dónal
2014-05-21
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.
Investigation of the dimensionality of charge transport in organic field effect transistors
NASA Astrophysics Data System (ADS)
Abdalla, Hassan; Fabiano, Simone; Kemerink, Martijn
2017-02-01
Ever since the first experimental investigations of organic field effect transistors (OFETs) the dimensionality of charge transport has alternately been described as two dimensional (2D) and three dimensional (3D). More recently, researchers have turned to an analytical analysis of the temperature-dependent transfer characteristics to classify the dimensionality as either 2D or 3D as well as to determine the disorder of the system, thereby greatly simplifying dimensionality investigations. We applied said analytical analysis to the experimental results of our OFETs comprising molecularly well-defined polymeric layers as the active material as well as to results obtained from kinetic Monte Carlo simulations and found that it was not able to correctly distinguish between 2D and 3D transports or give meaningful values for the disorder and should only be used for quasiquantitative and comparative analysis. We conclude to show that the dimensionality of charge transport in OFETs is a function of the interplay between transistor physics and morphology of the organic material.
Modeling the Charge Transport in Graphene Nano Ribbon Interfaces for Nano Scale Electronic Devices
NASA Astrophysics Data System (ADS)
Kumar, Ravinder; Engles, Derick
2015-05-01
In this research work we have modeled, simulated and compared the electronic charge transport for Metal-Semiconductor-Metal interfaces of Graphene Nano Ribbons (GNR) with different geometries using First-Principle calculations and Non-Equilibrium Green's Function (NEGF) method. We modeled junctions of Armchair GNR strip sandwiched between two Zigzag strips with (Z-A-Z) and Zigzag GNR strip sandwiched between two Armchair strips with (A-Z-A) using semi-empirical Extended Huckle Theory (EHT) within the framework of Non-Equilibrium Green Function (NEGF). I-V characteristics of the interfaces were visualized for various transport parameters. The distinct changes in conductance and I-V curves reported as the Width across layers, Channel length (Central part) was varied at different bias voltages from -1V to 1 V with steps of 0.25 V. From the simulated results we observed that the conductance through A-Z-A graphene junction is in the range of 10-13 Siemens whereas the conductance through Z-A-Z graphene junction is in the range of 10-5 Siemens. These suggested conductance controlled mechanisms for the charge transport in the graphene interfaces with different geometries is important for the design of graphene based nano scale electronic devices like Graphene FETs, Sensors.
Stochastic-Convective Transport with Nonlinear Reaction: Biodegradation With Microbial Growth
NASA Astrophysics Data System (ADS)
Ginn, T. R.; Simmons, C. S.; Wood, B. D.
1995-01-01
The representation of subsurface flow and reactive transport as an ensemble of one-dimensional stream tubes is extended to account for nonlinear biodegradation with coupled microbial growth. The Stochastic-convective reaction (SCR) model is derived for bioreaction of a single solute by a single class of microorganisms coupled with dynamic microbial growth. A new global variable, the integral of the solute degraded per unit length of system traversed, accounts for degradation. Dimensionless scaling and the method of characteristics are used to reduce the model, written for a single convecting reactor (stream tube), to a pair of coupled nonlinear functional equations for solute concentration and microbial biomass. Existence of a solution to the stream tube system is shown, both numerical and approximate analytical approaches to the solution are given, and example computations using both methods are presented. Conditions under which the stream tube solution is "canonical," or scalable to fit any permissible stream tube travel time function, arise from requirements for invariance (over the stream tube ensemble) of effective one-dimensional stream tubes used to represent transport along real stream tubes in three-dimensional space. Averaging of the stream tube solution over travel time and reaction properties representative of physical and chemical heterogeneities is described as a way to separate and upscale the processes of macrodispersion and microbiological reaction. The approach is exercised to simulate Monte Carlo average behavior of bioreactive transport in physically heterogeneous two-dimensional media. Results show that the method captures the ensemble average large-scale effects of the nonlinear reactions more accurately than done in the classical reactive convection-dispersion equation (CDR), even when the appropriate scale dependent dispersion coefficient is afforded to the CDR.
A non-Linear transport model for determining shale rock characteristics
NASA Astrophysics Data System (ADS)
Ali, Iftikhar; Malik, Nadeem
2016-04-01
Unconventional hydrocarbon reservoirs consist of tight porous rocks which are characterised by nano-scale size porous networks with ultra-low permeability [1,2]. Transport of gas through them is not well understood at the present time, and realistic transport models are needed in order to determine rock properties and for estimating future gas pressure distribution in the reservoirs. Here, we consider a recently developed non-linear gas transport equation [3], ∂p-+ U ∂p- = D ∂2p-, t > 0, (1) ∂t ∂x ∂x2 complimented with suitable initial and boundary conditions, in order to determine shale rock properties such as the permeability K, the porosity φ and the tortuosity, τ. In our new model, the apparent convection velocity, U = U(p,px), and the apparent diffusivity D = D(p), are both highly non-linear functions of the pressure. The model incorporate various flow regimes (slip, surface diffusion, transition, continuum) based upon the Knudsen number Kn, and also includes Forchchiemers turbulence correction terms. In application, the model parameters and associated compressibility factors are fully pressure dependent, giving the model more realism than previous models. See [4]. Rock properties are determined by solving an inverse problem, with model parameters adjustment to minimise the error between the model simulation and available data. It is has been found that the proposed model performs better than previous models. Results and details of the model will be presented at the conference. Corresponding author: namalik@kfupm.edu.sa and nadeem_malik@cantab.net References [1] Cui, X., Bustin, A.M. and Bustin, R., "Measurements of gas permeability and diffusivity of tight reservoir rocks: different approaches and their applications", Geofluids 9, 208-223 (2009). [2] Chiba R., Fomin S., Chugunov V., Niibori Y. and Hashida T., "Numerical Simulation of Non Fickian Diffusion and Advection in a Fractured Porous Aquifer", AIP Conference Proceedings 898, 75 (2007
Intragrain charge transport in kesterite thin films—Limits arising from carrier localization
NASA Astrophysics Data System (ADS)
Hempel, Hannes; Redinger, Alex; Repins, Ingrid; Moisan, Camille; Larramona, Gerardo; Dennler, Gilles; Handwerg, Martin; Fischer, Saskia F.; Eichberger, Rainer; Unold, Thomas
2016-11-01
Intragrain charge carrier mobilities measured by time-resolved terahertz spectroscopy in state of the art Cu2ZnSn(S,Se)4 kesterite thin films are found to increase from 32 to 140 cm2 V-1 s-1 with increasing Se content. The mobilities are limited by carrier localization on the nanometer-scale, which takes place within the first 2 ps after carrier excitation. The localization strength obtained from the Drude-Smith model is found to be independent of the excited photocarrier density. This is in accordance with bandgap fluctuations as a cause of the localized transport. Charge carrier localization is a general issue in the probed kesterite thin films, which were deposited by coevaporation, colloidal inks, and sputtering followed by annealing with varying Se/S contents and yield 4.9%-10.0% efficiency in the completed device.
NASA Astrophysics Data System (ADS)
Jin, Sunghwan; Jun, Gwang Hoon; Jeon, Seokwoo; Hong, Soon Hyung
2016-04-01
Commercialization of organic solar cell (OSC) has faltered due to their low power conversion efficiency (PCE) compared to inorganic solar cell. Low electrical conductivity, low charge mobility, and short-range light absorption of most organic materials limit the PCE of OSCs. Carbon nanomaterials, especially carbon nanotubes (CNTs) and graphenes, are of great interest for use in OSC applications due to their high electrical conductivity, mobility, and unique optical properties for enhancing the performance of OSCs. In this review, recent progress toward the integration of carbon nanomaterials into OSCs is described. The role of carbon nanomaterials and strategies for their integration into various layers of OSCs, including the photoactive layer and charge transport layer, are discussed. Based on these, we also discuss the prospects of carbon nanomaterials for specific OSC layers to maximize the PCE.
Jin, Sunghwan; Jun, Gwang Hoon; Jeon, Seokwoo; Hong, Soon Hyung
2016-01-01
Commercialization of organic solar cell (OSC) has faltered due to their low power conversion efficiency (PCE) compared to inorganic solar cell. Low electrical conductivity, low charge mobility, and short-range light absorption of most organic materials limit the PCE of OSCs. Carbon nanomaterials, especially carbon nanotubes (CNTs) and graphenes, are of great interest for use in OSC applications due to their high electrical conductivity, mobility, and unique optical properties for enhancing the performance of OSCs. In this review, recent progress toward the integration of carbon nanomaterials into OSCs is described. The role of carbon nanomaterials and strategies for their integration into various layers of OSCs, including the photoactive layer and charge transport layer, are discussed. Based on these, we also discuss the prospects of carbon nanomaterials for specific OSC layers to maximize the PCE.
Shi, Jiangjian; Zhang, Huiyin; Xu, Xin; Li, Dongmei; Luo, Yanhong; Meng, Qingbo
2016-10-01
The microscopic charge transport and recombination processes behind the widely concerned photoelectric hysteresis in the perovskite solar cell have been investigated with both in situ transient photovoltage/photocurrent measurements and the semiconductor device simulation. Time-dependent behaviors of intensity and direction of the photocurrent and photovoltage are observed under the steady-state bias voltages and open-circuit conditions. These charge processes reveal the electric properties of the cell, demonstrating evolutions of both strength and direction of the internal electric field during the hysteresis. Further calculation indicates that this behavior is mainly attributed to both the interfacial doping and defect effects induced by the ion accumulation, which may be the origins for the general hysteresis in this cell.
NASA Astrophysics Data System (ADS)
van der Kaap, N. J.; Koster, L. J. A.
2016-02-01
A parallel, lattice based Kinetic Monte Carlo simulation is developed that runs on a GPGPU board and includes Coulomb like particle-particle interactions. The performance of this computationally expensive problem is improved by modifying the interaction potential due to nearby particle moves, instead of fully recalculating it. This modification is achieved by adding dipole correction terms that represent the particle move. Exact evaluation of these terms is guaranteed by representing all interactions as 32-bit floating numbers, where only the integers between -222 and 222 are used. We validate our method by modelling the charge transport in disordered organic semiconductors, including Coulomb interactions between charges. Performance is mainly governed by the particle density in the simulation volume, and improves for increasing densities. Our method allows calculations on large volumes including particle-particle interactions, which is important in the field of organic semiconductors.
Lightning Charge Transport During a Thunderstorm Near Langmuir Laboratory on 18 August 2004
NASA Astrophysics Data System (ADS)
Aslan, B. C.; Hager, W. W.; Sonnenfeld, R. G.; Lu, G.; Winn, W. P.
2007-12-01
On 18 August 2004, 19:46 UT, a balloon was launched from Langmuir Laboratory, New Mexico, and was carried about 30 km southeast by the wind, traveling at an altitude that varied between 2500 m up to 4300 m above sea level. An electric field sonde or Esonde measured the electric field during the flight, while simultaneously, New Mexico Tech's Lightning Mapping Array recorded the location of VHF pulses generated during lightning. During the 40 minute balloon flight, 182 flashes occurred within 15 km of the balloon; 41 of these flashes were cloud-to-ground flashes. Using the Esonde data and the LMA data, along with recently developed analysis techniques, we estimate the charge transport associated with the lightning occurring near the balloon. This analysis leads to a picture for how charge flows in the 30 km region observed by the balloon-borne E-field change instrument.
Intragrain charge transport in kesterite thin films—Limits arising from carrier localization
Hempel, Hannes; Redinger, Alex; Repins, Ingrid; Moisan, Camille; Larramona, Gerardo; Dennler, Gilles; Handwerg, Martin; Fischer, Saskia F.; Eichberger, Rainer; Unold, Thomas
2016-11-03
Intragrain charge carrier mobilities measured by time-resolved terahertz spectroscopy in state of the art Cu_{2}ZnSn(S,Se)_{4} kesterite thin films are found to increase from 32 to 140 cm^{2}V^{-1}s^{-1} with increasing Se content. The mobilities are limited by carrier localization on the nanometer-scale, which takes place within the first 2 ps after carrier excitation. The localization strength obtained from the Drude-Smith model is found to be independent of the excited photocarrier density. This is in accordance with bandgap fluctuations as a cause of the localized transport. Lastly, charge carrier localization is a general issue in the probed kesterite thin films, which were deposited by coevaporation, colloidal inks, and sputtering followed by annealing with varying Se/S contents and yield 4.9%-10.0% efficiency in the completed device.
NASA Astrophysics Data System (ADS)
Ruffolo, David
1997-04-01
We examine effects on the charge states of solar cosmic ray ions due to shock heating or stripping at suprathermal ion velocities. Recent measurements of the mean charges of various elements after the gradual solar flares of 1992 Oct 30 and 1992 Nov 2 allow one to place limits on the product of the electron density times the acceleration or coronal residence time experienced by the escaping ions. In particular, any residence in coronal loops must be for <0.03 s, which rules out models of coronal transport (e.g., the bird cage model) in which escaping ions travel to distant solar longitudes within coronal loops. The results do not contradict models of distributed shock acceleration of energetic ions from coronal plasma at various solar longitudes, followed by prompt injection into the interplanetary medium.
Anomalous charge transport in RB12 (R = Ho, Er, Tm, Lu)
NASA Astrophysics Data System (ADS)
Sluchanko, N.; Bogomolov, L.; Glushkov, V.; Demishev, S.; Ignatov, M.; Khayrullin, Eu.; Samarin, N.; Sluchanko, D.; Levchenko, A.; Shitsevalova, N.; Flachbart, K.
High precision measurements of Hall RH(T) and Seebeck S(T) coefficients have been carried out for the first time on single crystals of rare earth dodecaborides RB12 (R D Ho, Er, Tm, Lu) at temperatures 1.8-300 K. Low temperature anomalies detected on the temperature dependencies of RH(T) and S(T) are associated with antiferromagnetic phase transitions in HoB12, ErB12 and TmB12 compounds. The observed discrepancy between the change of charge carriers' mobility and de-Gennes factor (g - 1)2 J(J + 1) (J - angular momentum of the 4f shell) in the set of HoB12-TmB12 allows us to conclude about the appreciable influence of spin fluctuations on the charge transport in these compounds with B12 atomic clusters.
Unity quantum yield of photogenerated charges and band-like transport in quantum-dot solids.
Talgorn, Elise; Gao, Yunan; Aerts, Michiel; Kunneman, Lucas T; Schins, Juleon M; Savenije, T J; van Huis, Marijn A; van der Zant, Herre S J; Houtepen, Arjan J; Siebbeles, Laurens D A
2011-09-25
Solid films of colloidal quantum dots show promise in the manufacture of photodetectors and solar cells. These devices require high yields of photogenerated charges and high carrier mobilities, which are difficult to achieve in quantum-dot films owing to a strong electron-hole interaction and quantum confinement. Here, we show that the quantum yield of photogenerated charges in strongly coupled PbSe quantum-dot films is unity over a large temperature range. At high photoexcitation density, a transition takes place from hopping between localized states to band-like transport. These strongly coupled quantum-dot films have electrical properties that approach those of crystalline bulk semiconductors, while retaining the size tunability and cheap processing properties of colloidal quantum dots.
Intragrain charge transport in kesterite thin films—Limits arising from carrier localization
Hempel, Hannes; Redinger, Alex; Repins, Ingrid; ...
2016-11-03
Intragrain charge carrier mobilities measured by time-resolved terahertz spectroscopy in state of the art Cu2ZnSn(S,Se)4 kesterite thin films are found to increase from 32 to 140 cm2V-1s-1 with increasing Se content. The mobilities are limited by carrier localization on the nanometer-scale, which takes place within the first 2 ps after carrier excitation. The localization strength obtained from the Drude-Smith model is found to be independent of the excited photocarrier density. This is in accordance with bandgap fluctuations as a cause of the localized transport. Lastly, charge carrier localization is a general issue in the probed kesterite thin films, which weremore » deposited by coevaporation, colloidal inks, and sputtering followed by annealing with varying Se/S contents and yield 4.9%-10.0% efficiency in the completed device.« less
NASA Astrophysics Data System (ADS)
Bhakta, Subrata; Ghosh, Uttam; Sarkar, Susmita
2017-02-01
In this paper, we have investigated the effect of secondary electron emission on nonlinear propagation of dust acoustic waves in a complex plasma where equilibrium dust charge is negative. The primary electrons, secondary electrons, and ions are Boltzmann distributed, and only dust grains are inertial. Electron-neutral and ion-neutral collisions have been neglected with the assumption that electron and ion mean free paths are very large compared to the plasma Debye length. Both adiabatic and nonadiabatic dust charge variations have been separately taken into account. In the case of adiabatic dust charge variation, nonlinear propagation of dust acoustic waves is governed by the KdV (Korteweg-de Vries) equation, whereas for nonadiabatic dust charge variation, it is governed by the KdV-Burger equation. The solution of the KdV equation gives a dust acoustic soliton, whose amplitude and width depend on the secondary electron yield. Similarly, the KdV-Burger equation provides a dust acoustic shock wave. This dust acoustic shock wave may be monotonic or oscillatory in nature depending on the fact that whether it is dissipation dominated or dispersion dominated. Our analysis shows that secondary electron emission increases nonadiabaticity induced dissipation and consequently increases the monotonicity of the dust acoustic shock wave. Such a dust acoustic shock wave may accelerate charge particles and cause bremsstrahlung radiation in space plasmas whose physical process may be affected by secondary electron emission from dust grains. The effect of the secondary electron emission on the stability of the equilibrium points of the KdV-Burger equation has also been investigated. This equation has two equilibrium points. The trivial equilibrium point with zero potential is a saddle and hence unstable in nature. The nontrivial equilibrium point with constant nonzero potential is a stable node up to a critical value of the wave velocity and a stable focus above it. This critical
Electroosmotic transport in polyelectrolyte-grafted nanochannels with pH-dependent charge density
NASA Astrophysics Data System (ADS)
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.
2016-01-01
Recently, photoactive proteins have gained a lot of attention due to their incorporation into bioinspired (photo)electrochemical and solar cells. This paper describes the measurement of the asymmetry of current transport of self-assembled monolayers (SAMs) of the entire photosystem I (PSI) protein complex (not the isolated reaction center, RCI), on two different “director SAMs” supported by ultraflat Au substrates. The director SAMs induce the preferential orientation of PSI, which manifest as asymmetry in tunneling charge-transport. We measured the oriented SAMs of PSI using eutectic Ga–In (EGaIn), a large-area technique, and conducting probe atomic force microscopy (CP-AFM), a single-complex technique, and determined that the transport properties are comparable. By varying the temperatures at which the measurements were performed, we found that there is no measurable dependence of the current on temperature from ±0.1 to ±1.0 V bias, and thus, we suggest tunneling as the mechanism for transport; there are no thermally activated (e.g., hopping) processes. Therefore, it is likely that relaxation in the electron transport chain is not responsible for the asymmetry in the conductance of SAMs of PSI complexes in these junctions, which we ascribe instead to the presence of a large, net dipole moment present in PSI. PMID:26057523
Charge quantization and the Standard Model from the CP2 and CP3 nonlinear σ-models
NASA Astrophysics Data System (ADS)
Hellerman, Simeon; Kehayias, John; Yanagida, Tsutomu T.
2014-04-01
We investigate charge quantization in the Standard Model (SM) through a CP2 nonlinear sigma model (NLSM), SU(3/(SU(2×U(1), and a CP3 model, SU(4/(SU(3×U(1). We also generalize to any CPk model. Charge quantization follows from the consistency and dynamics of the NLSM, without a monopole or Grand Unified Theory, as shown in our earlier work on the CP1 model (arXiv:1309.0692). We find that representations of the matter fields under the unbroken non-abelian subgroup dictate their charge quantization under the U(1 factor. In the CP2 model the unbroken group is identified with the weak and hypercharge groups of the SM, and the Nambu-Goldstone boson (NGB) has the quantum numbers of a SM Higgs. There is the intriguing possibility of a connection with the vanishing of the Higgs self-coupling at the Planck scale. Interestingly, with some minor assumptions (no vector-like matter and minimal representations) and starting with a single quark doublet, anomaly cancellation requires the matter structure of a generation in the SM. Similar analysis holds in the CP3 model, with the unbroken group identified with QCD and hypercharge, and the NGB having the up quark as a partner in a supersymmetric model. This can motivate solving the strong CP problem with a vanishing up quark mass.
Coherent energy transport in classical nonlinear oscillators: An analogy with the Josephson effect.
Borlenghi, Simone; Iubini, Stefano; Lepri, Stefano; Bergqvist, Lars; Delin, Anna; Fransson, Jonas
2015-04-01
By means of a simple theoretical model and numerical simulations, we demonstrate the presence of persistent energy currents in a lattice of classical nonlinear oscillators with uniform temperature and chemical potential. In analogy with the well-known Josephson effect, the currents are proportional to the sine of the phase differences between the oscillators. Our results elucidate general aspects of nonequilibrium thermodynamics and point towards a way to practically control transport phenomena in a large class of systems. We apply the model to describe the phase-controlled spin-wave current in a bilayer nanopillar.
Charge distribution and transport properties in reduced ceria phases: A review
NASA Astrophysics Data System (ADS)
Shoko, E.; Smith, M. F.; McKenzie, Ross H.
2011-12-01
The question of the charge distribution in reduced ceria phases (CeO2-x) is important for understanding the microscopic physics of oxygen storage capacity, and the electronic and ionic conductivities in these materials. All these are key properties in the application of these materials in catalysis and electrochemical devices. Several approaches have been applied to study this problem, including ab initio methods. Recently [1], we applied the bond valence model (BVM) to discuss the charge distribution in several different crystallographic phases of reduced ceria. Here, we compare the BVM results to those from atomistic simulations to determine if there is consistency in the predictions of the two approaches. Our analysis shows that the two methods give a consistent picture of the charge distribution around oxygen vacancies in bulk reduced ceria phases. We then review the transport theory applicable to reduced ceria phases, providing useful relationships which enable comparison of experimental results obtained by different techniques. In particular, we compare transport parameters obtained from the observed optical absorption spectrum, α(ω), dc electrical conductivity with those predicted by small polaron theory and the Harrison method. The small polaron energy is comparable to that estimated from α(ω). However, we found a discrepancy between the value of the electron hopping matrix element, t, estimated from the Marcus-Hush formula and that obtained by the Harrison method. Part of this discrepancy could be attributed to the system lying in the crossover region between adiabatic and nonadiabatic whereas our calculations assumed the system to be nonadiabatic. Finally, by considering the relationship between the charge distribution and electronic conductivity, we suggest the possibility of low temperature metallic conductivity for intermediate phases, i.e., x˜0.3. This has not yet been experimentally observed.
Charge Transport and Dynamics in Confined Ammonium and Phosphonium-based Ionic Liquids
NASA Astrophysics Data System (ADS)
Harris, Matthew; Cosby, Tyler; Tsunashima, Katsuhiko; Sangoro, Joshua
Charge transport and structural dynamics in a homologous series of ammonium and phosphonium ionic liquids confined in silica nanopores are investigated by broadband dielectric spectroscopy and Fourier transform infrared spectroscopy. The impact of the central atom of the cation on the physicochemical properties as well as the interplay between confinement effects and pore-wall interactions through silica surface silanization are investigated. The results are discussed within the framework of current understanding of confinement effects in ionic liquid systems, especially in comparison to imidazolium-based ionic liquids.
Charge Transport and Dynamics in Confined Phosphonium-based Ionic Liquids
NASA Astrophysics Data System (ADS)
Cosby, Tyler; Tsunashima, Katsuhiko; Sangoro, Joshua
Charge transport and structural dynamics in a homologous series of phosphonium-based ionic liquids confined in silica nanopores are investigated by broadband dielectric spectroscopy and Fourier transform infrared spectroscopy. The impact of alkyl chain length and hydrophobic aggregation on the physicochemical properties as well as the interplay between confinement effects and pore-wall interactions through silica surface silanization are investigated. The results are discussed within the framework of current understanding of confinement effects in ionic liquid systems, especially in comparison to imidazolium-based ionic liquids. NSF DMR Polymers Program.
Yamahata, Christophe; Collard, Dominique; Takekawa, Tetsuya; Kumemura, Momoko; Hashiguchi, Gen; Fujita, Hiroyuki
2008-01-01
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 relative humidity from the adsorption of water on the DNA backbone. We propose a quantitative model that is consistent with previous studies on DNA and other materials, like porous silicon, subjected to different humidity conditions.
Emin, David; Akhtari, Massoud; Ellingson, B. M.; Mathern, G. W.
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.
SWNT nano-engineered networks strongly increase charge transport in P3HT.
Boulanger, Nicolas; Yu, Junchun; Barbero, David R
2014-10-21
We demonstrate the formation of arrays of 3D nanosized networks of interconnected single-wall carbon nanotubes (SWNTs) with well defined dimensions in a poly-3-hexylthiophene (P3HT) thin film. These novel nanotube nano-networks produce efficient ohmic charge transport, even at very low nanotube loadings and low voltages. An increase in conductivity between one and two orders of magnitude is observed compared to a random network. The formation of these nano-engineered networks is compatible with large area imprinting and roll to roll processes, which makes it highly desirable for opto-electronic and energy conversion applications using carbon nanotubes.
Hydrogenated Graphene as a Homoepitaxial Tunnel Barrier for Spin and Charge Transport in Graphene.
Friedman, Adam L; van 't Erve, Olaf M J; Robinson, Jeremy T; Whitener, Keith E; Jonker, Berend T
2015-07-28
We demonstrate that hydrogenated graphene performs as a homoepitaxial tunnel barrier on a graphene charge/spin channel. We examine the tunneling behavior through measuring the IV curves and zero bias resistance. We also fabricate hydrogenated graphene/graphene nonlocal spin valves and measure the spin lifetimes using the Hanle effect, with spintronic nonlocal spin valve operation demonstrated up to room temperature. We show that while hydrogenated graphene indeed allows for spin transport in graphene and has many advantages over oxide tunnel barriers, it does not perform as well as similar fluorinated graphene/graphene devices, possibly due to the presence of magnetic moments in the hydrogenated graphene that act as spin scatterers.
Discrete and continuum links to a nonlinear coupled transport problem of interacting populations
NASA Astrophysics Data System (ADS)
Duong, M. H.; Muntean, A.; Richardson, O. M.
2017-02-01
We are interested in exploring interacting particle systems that can be seen as microscopic models for a particular structure of coupled transport flux arising when different populations are jointly evolving. The scenarios we have in mind are inspired by the dynamics of pedestrian flows in open spaces and are intimately connected to cross-diffusion and thermo-diffusion problems holding a variational structure. The tools we use include a suitable structure of the relative entropy controlling TV-norms, the construction of Lyapunov functionals and particular closed-form solutions to nonlinear transport equations, a hydrodynamics limiting procedure due to Philipowski, as well as the construction of numerical approximates to both the continuum limit problem in 2D and to the original interacting particle systems.
Charge sensing and spin-related transport property of p-channel silicon quantum dots
NASA Astrophysics Data System (ADS)
Yamaoka, Yu; Iwasaki, Kazuma; Oda, Shunri; Kodera, Tetsuo
2017-04-01
We demonstrate the detection of single hole tunneling through physically defined silicon quantum dots (QDs) by charge sensing. We estimate capacitive couplings between the QDs and tuning gates by simulation based on the Monte Carlo method. In addition, an investigation of spin-related transport is presented. Pauli spin blockade is observed in double QDs, where hole transport is blocked by forbidden transitions between triplet and singlet states. The magnetic field dependence of the leakage current in Pauli spin blockade shows a dip characteristic at zero field, which is explained by spin relaxation due to spin–orbit coupling with phonons. We extract the dip width B C ∼ 65 mT and a spin relaxation rate Γrel ∼ 55 MHz. The small dip width and high spin relaxation rate reflect a strong spin–orbit coupling.
OoTran, an object-oriented program for charged-particle beam transport design
NASA Astrophysics Data System (ADS)
Ninane, A.; Ferté, J. M.; Mareschal, P.; Sibomana, M.; Somers, F.
1990-08-01
The OoTran program is a new object-oriented program for charge-particle beam transport computation. Using a simple menu interface, the user builds his beam line with magnetic and electric elements taken from a standard library. The program computes the beam transport using a well-known first-order matrix formalism and displays "in real time" the computed beam envelope. The menu editor provides functions to interactively modify the beam line. Ootran is written in C ++ and uses two object libraries: OOPS, the Object-Oriented Program Support Class Library, which is a collection of classes similar to those of Smalltalk-80; and InterViews, a C++ graphical-interface toolkit based on the X-Window system. OoTran is running on DECstation 3100, VAXstation 2000 and SUN 3, with the ULTRIX and SUN OS operating systems.
Spin Selective Charge Transport through Cysteine Capped CdSe Quantum Dots.
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.
One-dimensional electronic transport at the organic charge-transfer interfaces under high pressures
Kang, N.; Auban-Senzier, P.; Li, C.; Poulard, C.; Pasquier, C. R.
2014-05-12
We have characterized the charge transport properties of the electronic state at the interface between tetrathiofulvalene and 7,7,8,8-tetracyanoquinodimethane organic crystals as a function of pressure. At low temperature and for all studied pressures, the conductance and the current through the interface exhibit a power-law dependence on both temperature and bias voltage which reveal features of quasi-one-dimensional character. The transport behavior as well as the pressure dependence of the power-law exponent is consistent with a one-dimensional Wigner crystal model. Our results demonstrate that organic heterointerfaces can provide an ideal platform for exploring the rich electronic phenomena in low-dimensional systems.
Friedman, Adam L; van 't Erve, Olaf M J; Li, Connie H; Robinson, Jeremy T; Jonker, Berend T
2014-01-01
The coupled imperatives for reduced heat dissipation and power consumption in high-density electronics have rekindled interest in devices based on tunnelling. Such devices require mating dissimilar materials, raising issues of heteroepitaxy, layer uniformity, interface stability and electronic states that severely complicate fabrication and compromise performance. Two-dimensional materials such as graphene obviate these issues and offer a new paradigm for tunnel barriers. Here we demonstrate a homoepitaxial tunnel barrier structure in which graphene serves as both the tunnel barrier and the high-mobility transport channel. We fluorinate the top layer of a graphene bilayer to decouple it from the bottom layer, so that it serves as a single-monolayer tunnel barrier for both charge and spin injection into the lower graphene channel. We demonstrate high spin injection efficiency with a tunnelling spin polarization >60%, lateral transport of spin currents in non-local spin-valve structures and determine spin lifetimes with the Hanle effect.
NASA Astrophysics Data System (ADS)
Sarmento, R. G.; Fulco, U. L.; Albuquerque, E. L.; Caetano, E. W. S.; Freire, V. N.
2011-10-01
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.
Charge transport in gapless electron-hole systems with arbitrary band dispersion
NASA Astrophysics Data System (ADS)
Das Sarma, S.; Hwang, E. H.
2015-05-01
Using the semiclassical Boltzmann transport theory, we analytically consider dc charge transport in gapless electron-hole (both chiral and nonchiral) systems in the presence of resistive scattering due to static disorder arising from random quenched impurities in the background. We obtain the dependence of the Boltzmann conductivity on carrier density and temperature for arbitrary band dispersion in arbitrary dimensionality assuming long-range (˜1 /r ) Coulomb disorder and zero-range white-noise disorder [˜δ (r ) ]. We establish that the temperature and the density dependence of the Boltzmann conductivity manifests scaling behaviors determining, respectively, the intrinsic semimetallic or the extrinsic metallic property of the gapless system. Our results apply equally well to both chiral and nonchiral gapless systems, and provide a qualitative understanding of the dependence of the Boltzmann conductivity on the band dispersion in arbitrary dimensionality.
NASA Astrophysics Data System (ADS)
Ponsaing, Anita Kristine
Since the big progress of dye sensitized solar cells (DSCs) by adopting TiO2 nanoparticles for a photoanode in 1991, DSCs have been intensively studied as an alternative to conventional Si-based solar cells. As a main component of DSCs, a photoanode composed of a nanostructured semiconducting oxide network plays a significant role in determining performances of DSCs in terms of light harvesting efficiency (LHE) and charge collection efficiency related to charge transport and recombination. Nanomaterials with various morphologies, such as particles, rods and tubes have been fabricated and investigated to improve performances of DSCs. Among them, submicrometer-sized aggregates of nanocrystallites have demonstrated to be promising as a photoanode of DSCs for higher power conversion efficiency. Such hierarchical structures make it possible to have both high specific surface area for dye molecule adsorption and internal light scattering within the photoanode, leading to a much enhanced LHE. This work focused on the surface modification and charge transport characterization of such hierarchically structured photoanodes. First, a core-shell configuration was fabricated by atomic layer deposition (ALD) process, which was achieved by depositing ultrathin TiO2 layer on inner surface of ZnO aggregate film in which the TiO2 shell was anticipated to act as a chemical and energy barrier. Although the ALD-TiO2 coating failed to improve chemical stability of the ZnO aggregate against to an acidic dye solution due to the ultrathin thickness (< 1 nm), the ALD-TiO2 shell layer effectively suppressed charge recombination at the interface. As a result of the reduced charge recombination, Voc, and FF of DSCs were increased, leading to 20 % enhancement of power conversion efficiency. Second, effects of annealing temperatures on ALD-TiO2 coated aggregates of ZnO nanocrystallites were investigated in terms of sintering behavior and charge transport. 350 °C as the maximum temperature was
Microstructural control of charge transport in organic blend thin-film transistors
Hunter, Simon; Chen, Jihua; Anthopoulos, Thomas D.
2014-07-17
In this paper, the charge-transport processes in organic p-channel transistors based on the small-molecule 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES ADT), the polymer poly(triarylamine)(PTAA) and blends thereof are investigated. In the case of blend films, lateral conductive atomic force microscopy in combination with energy filtered transmission electron microscopy are used to study the evolution of charge transport as a function of blends composition, allowing direct correlation of the film's elemental composition and morphology with hole transport. Low-temperature transport measurements reveal that optimized blend devices exhibit lower temperature dependence of hole mobility than pristine PTAA devices while also providing a narrower bandgap trap distribution than pristine diF-TES ADT devices. These combined effects increase the mean hole mobility in optimized blends to 2.4 cm^{2}/Vs; double the value measured for best diF-TES ADT-only devices. The bandgap trap distribution in transistors based on different diF-TES ADT:PTAA blend ratios are compared and the act of blending these semiconductors is seen to reduce the trap distribution width yet increase the average trap energy compared to pristine diF-TES ADT-based devices. In conclusion, our measurements suggest that an average trap energy of <75 meV and a trap distribution of <100 meV is needed to achieve optimum hole mobility in transistors based on diF-TES ADT:PTAA blends.
Microstructural control of charge transport in organic blend thin-film transistors
Hunter, Simon; Chen, Jihua; Anthopoulos, Thomas D.
2014-07-17
In this paper, the charge-transport processes in organic p-channel transistors based on the small-molecule 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES ADT), the polymer poly(triarylamine)(PTAA) and blends thereof are investigated. In the case of blend films, lateral conductive atomic force microscopy in combination with energy filtered transmission electron microscopy are used to study the evolution of charge transport as a function of blends composition, allowing direct correlation of the film's elemental composition and morphology with hole transport. Low-temperature transport measurements reveal that optimized blend devices exhibit lower temperature dependence of hole mobility than pristine PTAA devices while also providing a narrower bandgap trap distribution thanmore » pristine diF-TES ADT devices. These combined effects increase the mean hole mobility in optimized blends to 2.4 cm2/Vs; double the value measured for best diF-TES ADT-only devices. The bandgap trap distribution in transistors based on different diF-TES ADT:PTAA blend ratios are compared and the act of blending these semiconductors is seen to reduce the trap distribution width yet increase the average trap energy compared to pristine diF-TES ADT-based devices. In conclusion, our measurements suggest that an average trap energy of <75 meV and a trap distribution of <100 meV is needed to achieve optimum hole mobility in transistors based on diF-TES ADT:PTAA blends.« less
NASA Astrophysics Data System (ADS)
Oh, Dong Keun; Hong, Sung Mok; Lee, Cheol Eui; Kim, B.-S.; Jin, J.-I.
2005-12-01
Using the time of flight (ToF) method, we investigated the bipolar charge transport for two glass-forming molecules containing carbazole and cyano-carbazole moiety. The enhanced electron mobility was observed in the cyano-carbazole compound. From the numerical method based the Laplace formalism, the distribution of hole trapping energy was obtained for the carbazole compound. This result was compared with the exponential distribution extracted from dispersion parameter for the cyano-carbazole material. Considering charge-dipole interactions as a reason for the disordered trapping mechanism, we discussed dispersive charge transport induced by a strong dipolar (i.e. cyano) group by comparing the distributions of hole trapping sites for two compounds.
The [4Fe4S] cluster of human DNA primase functions as a redox switch using DNA charge transport.
O'Brien, Elizabeth; Holt, Marilyn E; Thompson, Matthew K; Salay, Lauren E; Ehlinger, Aaron C; Chazin, Walter J; Barton, Jacqueline K
2017-02-24
DNA charge transport chemistry offers a means of long-range, rapid redox signaling. We demonstrate that the [4Fe4S] cluster in human DNA primase can make use of this chemistry to coordinate the first steps of DNA synthesis. Using DNA electrochemistry, we found that a change in oxidation state of the [4Fe4S] cluster acts as a switch for DNA binding. Single-atom mutations that inhibit this charge transfer hinder primase initiation without affecting primase structure or polymerization. Generating a single base mismatch in the growing primer duplex, which attenuates DNA charge transport, inhibits primer truncation. Thus, redox signaling by [4Fe4S] clusters using DNA charge transport regulates primase binding to DNA and illustrates chemistry that may efficiently drive substrate handoff between polymerases during DNA replication.
Physical vapor transport of mercurous chloride under a nonlinear thermal profile
NASA Technical Reports Server (NTRS)
Mennetrier, Christophe; Duval, Walter M. B.; Singh, Narsingh B.
1992-01-01
Our study investigates numerically the flow field characteristics during the growth of mercurous chloride (Hg2Cl2) crystals in a rectangular ampoule under terrestrial and microgravity conditions for a nonlinear thermal gradient. With a residual gas lighter than the nutrient, the solutal Grashof number is dominant. We observe that in tilted configurations, when solutal convection is dominant, the maximum transport rate occurs at approximately 40 percent. For the vertical configurations, we were able to obtain solutions only for the cases either below the critical Rayleigh numbers or the stabilized configurations. The total mass flux decreases exponentially with an increase of pressure of residual gas, but it increases following a power law with the temperature difference driving the transport. The nonlinear thermal gradient appears to destabilize the flow field when thermal convection is dominant for both vertical top-heated and bottom-heated configurations. However, when the solutal Grashof number is dominant, the density gradient resulting from the solutal gradient appears to stabilize the flow for the bottom-heated configuration. The flow field for the top-heated configuration is destabilized for high Grashof numbers. The microgravity environment provides a means for lowering convection. For gravity levels of 10(exp -3) g(0) or less, the Stefan wind drives the flow, and no recirculating cell is predicted.
Kokkonen, H T; Chin, H C; Töyräs, J; Jurvelin, J S; Quinn, T M
2017-04-01
Solute transport through the extracellular matrix (ECM) is crucial to chondrocyte metabolism. Cartilage injury affects solute transport in cartilage due to alterations in ECM structure and solute-matrix interactions. Therefore, cartilage injury may be detected by using contrast agent-based clinical imaging. In the present study, effects of mechanical injury on transport of negatively charged contrast agents in cartilage were characterized. Using cartilage plugs injured by mechanical compression protocol, effective partition coefficients and diffusion fluxes of iodine- and gadolinium-based contrast agents were measured using high resolution microCT imaging. For all contrast agents studied, effective diffusion fluxes increased significantly, particularly at early times during the diffusion process (38 and 33% increase after 4 min, P < 0.05 for iodine and Gd-DTPA; and 76% increase after 10 min for diatrizoate, P < 0.05). Effective partition coefficients were unaffected in mechanically injured cartilage. Mechanical injury reduced PG content and collagen integrity in cartilage superficial zone. This study suggests that alterations in contrast agent diffusion flux, a non-equilibrium transport parameter, provides a more sensitive indicator for assessment of cartilage matrix integrity than partition coefficient and the equilibrium distribution of solute. These findings may help in developing clinical methods of contrast agent-based imaging to detect cartilage injury.
Coherent Charge Transport in Ballistic InSb Nanowire Josephson Junctions
Li, S.; Kang, N.; Fan, D. X.; Wang, L. B.; Huang, Y. Q.; Caroff, P.; Xu, H. Q.
2016-01-01
Hybrid InSb nanowire-superconductor devices are promising for investigating Majorana modes and topological quantum computation in solid-state devices. An experimental realisation of ballistic, phase-coherent superconductor-nanowire hybrid devices is a necessary step towards engineering topological superconducting electronics. Here, we report on a low-temperature transport study of Josephson junction devices fabricated from InSb nanowires grown by molecular-beam epitaxy and provide a clear evidence for phase-coherent, ballistic charge transport through the nanowires in the junctions. We demonstrate that our devices show gate-tunable proximity-induced supercurrent and clear signatures of multiple Andreev reflections in the differential conductance, indicating phase-coherent transport within the junctions. We also observe periodic modulations of the critical current that can be associated with the Fabry-Pérot interference in the nanowires in the ballistic transport regime. Our work shows that the InSb nanowires grown by molecular-beam epitaxy are of excellent material quality and hybrid superconducting devices made from these nanowires are highly desirable for investigation of the novel physics in topological states of matter and for applications in topological quantum electronics. PMID:27102689
NASA Astrophysics Data System (ADS)
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.
NASA Astrophysics Data System (ADS)
LeRoy, S.; Segur, P.; Teyssedre, G.; Laurent, C.
2004-01-01
We present a conduction model aimed at describing bipolar transport and space charge phenomena in low density polyethylene under dc stress. In the first part we recall the basic requirements for the description of charge transport and charge storage in disordered media with emphasis on the case of polyethylene. A quick review of available conduction models is presented and our approach is compared with these models. Then, the bases of the model are described and related assumptions are discussed. Finally, results on external current, trapped and free space charge distributions, field distribution and recombination rate are presented and discussed, considering a constant dc voltage, a step-increase of the voltage, and a polarization-depolarization protocol for the applied voltage. It is shown that the model is able to describe the general features reported for external current, electroluminescence and charge distribution in polyethylene.
NASA Astrophysics Data System (ADS)
Sonnino, G.
2011-03-01
Fully ionized L-mode tokamak plasmas in the fully collisional (Pfirsch-Schlüter) and in the low-collisional (banana) nonlinear transport regimes are analyzed. We derive the expressions for particles and heat losses together with the steady-state particle distribution functions in the several collisional transport regimes. The validity of the nonlinear closure equations, previously derived, has been indirectly tested by checking that the obtained particle distribution functions are indeed solutions of the nonlinear, steady-state, Vlasov-Landau gyro-kinetic equations. A quite encouraging result is the fact that, for L-mode tokamak plasmas a dissymmetry appears between the ion and electron transport coefficients: the latter submits to a nonlinear correction, which makes the radial electron coefficients much larger than the former. In particular we show that when the L-mode JET plasma is out of the linear region, the Pfirsch-Schlüter electron transport coefficients are corrected by an amplification factor, which may reach values of order 102. Such a correction is absent for ions. On the contrary, in the banana regime, the ion transport coefficients are increased by a factor 2 and the nonlinear corrections for electrons are negligible. These results are in line with experiments.
Charge transport properties in microcrystalline KDyFe(China){sub 6}
Aubert, P.H.; Goubard, F. Chevrot, C.; Tabuteau, A.
2007-02-15
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){sub 6}.3.5H{sub 2}O shows occluded water molecules and potassium ions forming a pseudohexagonal 2D sub-lattice connected to each other by diffusion channels.
The Effect of Correlated Energetic Disorder on Charge Transport in Organic Semiconductors
NASA Astrophysics Data System (ADS)
Allen, Jonathan; Röding, Sebastian; Cherqui, Charles; Dunlap, David
2012-10-01
In their 1995 paper describing a Monte Carlo simulation for dissociation of an electron-hole pair in the presence of Gaussian energetic disorder, Albrect and Bäassler reported a surprising result. They found that increasing the width σ of the energetic disorder increases the quantum yield φ. They attributed this behavior to the tendency for energy fluctuations to compete against the Coulombic pair attraction, driving the electron-hole pair apart at short distances where, without disorder, recombination would be almost certain. We have expanded upon this notion, and introduced spatial correlation into the energetic disorder. By correlating the energetic disorder, we have demonstrated even larger quantum yields in simulation, attributable to the tendency of correlation to drive the charges further apart spatially than merely random disorder. Our results generally support the findings of Greenham et al. in that a larger correlation radius gives a larger quantum yield. In addition to larger quantum yield, we believe that correlated disorder could be used to create pathways for charge transport within a material, allowing the charge carrier behavior to be tuned.
Charge Transport in Two-Photon Semiconducting Structures for Solar Fuels.
Liu, Guohua; Du, Kang; Haussener, Sophia; Wang, Kaiying
2016-10-20
Semiconducting heterostructures are emerging as promising light absorbers and offer effective electron-hole separation to drive solar chemistry. This technology relies on semiconductor composites or photoelectrodes that work in the presence of a redox mediator and that create cascade junctions to promote surface catalytic reactions. Rational tuning of their structures and compositions is crucial to fully exploit their functionality. In this review, we describe the possibilities of applying the two-photon concept to the field of solar fuels. A wide range of strategies including the indirect combination of two semiconductors by a redox couple, direct coupling of two semiconductors, multicomponent structures with a conductive mediator, related photoelectrodes, as well as two-photon cells are discussed for light energy harvesting and charge transport. Examples of charge extraction models from the literature are summarized to understand the mechanism of interfacial carrier dynamics and to rationalize experimental observations. We focus on a working principle of the constituent components and linking the photosynthetic activity with the proposed models. This work gives a new perspective on artificial photosynthesis by taking simultaneous advantages of photon absorption and charge transfer, outlining an encouraging roadmap towards solar fuels.
A Generalized Boltzmann Fokker-Planck Method for Coupled Charged Particle Transport
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.
Cranmer, Steven R.
2014-08-20
There have been several ideas proposed to explain how the Sun's corona is heated and how the solar wind is accelerated. Some models assume that open magnetic field lines are heated by Alfvén waves driven by photospheric motions and dissipated after undergoing a turbulent cascade. Other models posit that much of the solar wind's mass and energy is injected via magnetic reconnection from closed coronal loops. The latter idea is motivated by observations of reconnecting jets and also by similarities of ion composition between closed loops and the slow wind. Wave/turbulence models have also succeeded in reproducing observed trends in ion composition signatures versus wind speed. However, the absolute values of the charge-state ratios predicted by those models tended to be too low in comparison with observations. This Letter refines these predictions by taking better account of weak Coulomb collisions for coronal electrons, whose thermodynamic properties determine the ion charge states in the low corona. A perturbative description of nonlocal electron transport is applied to an existing set of wave/turbulence models. The resulting electron velocity distributions in the low corona exhibit mild suprathermal tails characterized by ''kappa'' exponents between 10 and 25. These suprathermal electrons are found to be sufficiently energetic to enhance the charge states of oxygen ions, while maintaining the same relative trend with wind speed that was found when the distribution was assumed to be Maxwellian. The updated wave/turbulence models are in excellent agreement with solar wind ion composition measurements.
Impact of perfluorination on the charge-transport parameters of oligoacene crystals.
Delgado, M Carmen Ruiz; Pigg, Kathryn R; da Silva Filho, Demétrio A; Gruhn, Nadine E; Sakamoto, Youichi; Suzuki, Toshiyasu; Osuna, Reyes Malavé; Casado, Juan; Hernández, Víctor; Navarrete, Juan Teodomiro López; Martinelli, Nicolas G; Cornil, Jérôme; Sánchez-Carrera, Roel S; Coropceanu, Veaceslav; Brédas, Jean-Luc
2009-02-04
The charge-transport parameters of the perfluoropentacene and perfluorotetracene crystals are studied with a joint experimental and theoretical approach that combines gas-phase ultraviolet photoelectron spectroscopy and density functional theory. To gain a better understanding of the role of perfluorination, the results for perfluoropentacene and perfluorotetracene are compared to those for their parent oligoacenes, that is, pentacene and tetracene. Perfluorination is calculated to increase the ionization potentials and electron affinities by approximately 1 eV, which is expected to reduce significantly the injection barrier for electrons in organic electronics devices. Perfluorination also leads to significant changes in the crystalline packing, which greatly affects the electronic properties of the crystals and their charge-transport characteristics. The calculations predict large conduction and valence bandwidths and low hole and electron effective masses in the perfluoroacene crystals, with the largest mobilities expected along the pi-stacks. Perfluorination impacts as well both local and nonlocal vibrational couplings, whose strengths increase by a factor of about 2 with respect to the parent compounds.
NASA Astrophysics Data System (ADS)
Kim, Tae Woo; Ping, Yuan; Galli, Giulia A.; Choi, Kyoung-Shin
2015-10-01
n-Type bismuth vanadate has been identified as one of the most promising photoanodes for use in a water-splitting photoelectrochemical cell. The major limitation of BiVO4 is its relatively wide bandgap (~2.5 eV), which fundamentally limits its solar-to-hydrogen conversion efficiency. Here we show that annealing nanoporous bismuth vanadate electrodes at 350 °C under nitrogen flow can result in nitrogen doping and generation of oxygen vacancies. This gentle nitrogen treatment not only effectively reduces the bandgap by ~0.2 eV but also increases the majority carrier density and mobility, enhancing electron-hole separation. The effect of nitrogen incorporation and oxygen vacancies on the electronic band structure and charge transport of bismuth vanadate are systematically elucidated by ab initio calculations. Owing to simultaneous enhancements in photon absorption and charge transport, the applied bias photon-to-current efficiency of nitrogen-treated BiVO4 for solar water splitting exceeds 2%, a record for a single oxide photon absorber, to the best of our knowledge.
Kim, Tae Woo; Ping, Yuan; Galli, Giulia A; Choi, Kyoung-Shin
2015-10-26
n-Type bismuth vanadate has been identified as one of the most promising photoanodes for use in a water-splitting photoelectrochemical cell. The major limitation of BiVO4 is its relatively wide bandgap (∼2.5 eV), which fundamentally limits its solar-to-hydrogen conversion efficiency. Here we show that annealing nanoporous bismuth vanadate electrodes at 350 °C under nitrogen flow can result in nitrogen doping and generation of oxygen vacancies. This gentle nitrogen treatment not only effectively reduces the bandgap by ∼0.2 eV but also increases the majority carrier density and mobility, enhancing electron-hole separation. The effect of nitrogen incorporation and oxygen vacancies on the electronic band structure and charge transport of bismuth vanadate are systematically elucidated by ab initio calculations. Owing to simultaneous enhancements in photon absorption and charge transport, the applied bias photon-to-current efficiency of nitrogen-treated BiVO4 for solar water splitting exceeds 2%, a record for a single oxide photon absorber, to the best of our knowledge.
Kim, Tae Woo; Ping, Yuan; Galli, Giulia A.; Choi, Kyoung-Shin
2015-01-01
n-Type bismuth vanadate has been identified as one of the most promising photoanodes for use in a water-splitting photoelectrochemical cell. The major limitation of BiVO4 is its relatively wide bandgap (∼2.5 eV), which fundamentally limits its solar-to-hydrogen conversion efficiency. Here we show that annealing nanoporous bismuth vanadate electrodes at 350 °C under nitrogen flow can result in nitrogen doping and generation of oxygen vacancies. This gentle nitrogen treatment not only effectively reduces the bandgap by ∼0.2 eV but also increases the majority carrier density and mobility, enhancing electron–hole separation. The effect of nitrogen incorporation and oxygen vacancies on the electronic band structure and charge transport of bismuth vanadate are systematically elucidated by ab initio calculations. Owing to simultaneous enhancements in photon absorption and charge transport, the applied bias photon-to-current efficiency of nitrogen-treated BiVO4 for solar water splitting exceeds 2%, a record for a single oxide photon absorber, to the best of our knowledge. PMID:26498984
A Multiplexed, Two-Electrode Platform for Biosensing based on DNA-Mediated Charge Transport
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)22+ (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 alkythiols. 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 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
Toward a predictive understanding of water and charge transport in proton exchange membranes.
Selvan, Myvizhi Esai; Calvo-Muñoz, Elisa; Keffer, David J
2011-03-31
An analytical model for water and charge transport in highly acidic and highly confined systems such as proton exchange membranes of fuel cells is developed and compared to available experimental data. The model is based on observations from both experiment and multiscale simulation. The model accounts for three factors in the system including acidity, confinement, and connectivity. This model has its basis in the molecular-level mechanisms of water transport but has been coarse-grained to the extent that it can be expressed in an analytical form. The model uses the concentration of H(3)O(+) ion to characterize acidity, interfacial surface area per water molecule to characterize confinement, and percolation theory to describe connectivity. Several important results are presented. First, an integrated multiscale simulation approach including both molecular dynamics simulation and confined random walk theory is capable of quantitatively reproducing experimentally measured self-diffusivities of water in the perfluorinated sulfonic acid proton exchange membrane material, Nafion. The simulations, across a range of hydration conditions from minimally hydrated to fully saturated, have an average error for the self-diffusivity of water of 16% relative to experiment. Second, accounting for three factors-acidity, confinement, and connectivity-is necessary and sufficient to understand the self-diffusivity of water in proton exchange membranes. Third, an analytical model based on percolation theory is capable of quantitatively reproducing experimentally measured self-diffusivities of both water and charge in Nafion across a full range of hydration.
Temperature-dependent charge injection and transport in pentacene thin-film transistors
NASA Astrophysics Data System (ADS)
Kim, Dong Wook; Shin, Hyunji; Park, Ji-Ho; Park, Jaehoon; Choi, Jong Sun
2015-11-01
The electrical characteristics of p-channel pentacene thin-film transistors (TFTs) were analyzed at different operating temperatures ranging from 253 to 353 K. An improvement in the drain current and field-effect mobility of the pentacene TFTs is observed with increasing temperature. From the Arrhenius plots of field-effect mobility extracted at various temperatures, a lower activation energy of 99.34 meV was obtained when the device is operating in the saturation region. Such observation is ascribed to the thermally activated hole transport through the pentacene grain boundaries. On the other hand, it was found that the Au/pentacene contact significantly affects the TFTs electrical characteristics in the linear region, which resulted in a higher activation energy. The activation energy based on the linear field-effect mobility, which increased from 344.61 to 444.70 meV with decreasing temperature, implies the charge-injection-limited electrical behavior of pentacene TFTs at low temperatures. The thermally induced electrical characteristic variations in pentacene TFTs can thus be studied through the temperature dependence of the charge injection and transport processes.
Quantifying TEMPO Redox Polymer Charge Transport toward the Organic Radical Battery.
Karlsson, Christoffer; Suga, Takeo; Nishide, Hiroyuki
2017-03-29
To design new and better organic active battery materials in a rational fashion, fundamental parameters of the charge transport must be studied. Herein we report on the electronic conductivity by electron diffusion in a TEMPO-containing redox polymer, and the reorganization energy of the TEMPO self-exchange in an organic solvent is determined for the first time. The electronic conductivity was 8.5 μS/cm at E(0) and corresponded to a redox hopping mechanism. The apparent electron diffusion coefficient was 1.9 × 10(-9) cm(2)/s at room temperature, and at short times the ion diffusion was limiting with a diffusion coefficient of 6.5 × 10(-10) cm(2)/s. The reorganization energy was determined to be 1.01 eV, indicating a rather polar chemical environment for the TEMPO groups. The implications for the usage of this type of materials in organic energy storage are discussed. As conductivity through 10 μm was demonstrated, we show that, if sufficient swellability can be ensured, charge can be transported through several micrometer thick layers in a battery electrode without any conducting additive.
NASA Astrophysics Data System (ADS)
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
Liang, Xiaoyong; Bai, Sai; Wang, Xin; Dai, Xingliang; Gao, Feng; Sun, Baoquan; Ning, Zhijun; Ye, Zhizhen; Jin, Yizheng
2017-02-28
Colloidal metal oxide nanocrystals offer a unique combination of excellent low-temperature solution processability, rich and tuneable optoelectronic properties and intrinsic stability, which makes them an ideal class of materials as charge transporting layers in solution-processed light-emitting diodes and solar cells. Developing new material chemistry and custom-tailoring processing and properties of charge transporting layers based on oxide nanocrystals hold the key to boosting the efficiency and lifetime of all-solution-processed light-emitting diodes and solar cells, and thereby realizing an unprecedented generation of high-performance, low-cost, large-area and flexible optoelectronic devices. This review aims to bridge two research fields, chemistry of colloidal oxide nanocrystals and interfacial engineering of optoelectronic devices, focusing on the relationship between chemistry of colloidal oxide nanocrystals, processing and properties of charge transporting layers and device performance. Synthetic chemistry of colloidal oxide nanocrystals, ligand chemistry that may be applied to colloidal oxide nanocrystals and chemistry associated with post-deposition treatments are discussed to highlight the ability of optimizing processing and optoelectronic properties of charge transporting layers. Selected examples of solution-processed solar cells and light-emitting diodes with oxide-nanocrystal charge transporting layers are examined. The emphasis is placed on the correlation between the properties of oxide-nanocrystal charge transporting layers and device performance. Finally, three major challenges that need to be addressed in the future are outlined. We anticipate that this review will spur new material design and simulate new chemistry for colloidal oxide nanocrystals, leading to charge transporting layers and solution-processed optoelectronic devices beyond the state-of-the-art.
Fujita, Yosuke; Kobayashi, Motoyoshi
2016-07-01
We have studied the transport of colloidal silica in various degrees of a water-saturated Toyoura sand column, because silica particles are widely used as catalyst carriers and abrasive agents, and their toxicity is reported recently. Since water-silica, water-sand, and air-water interfaces have pH-dependent negative charges, the magnitude of surface charge was controlled by changing the solution pH. The results show that, at high pH conditions (pH 7.4), the deposition of colloidal silica to the sand surface is interrupted and the silica concentration at the column outlet immediately reaches the input concentration in saturated conditions. In addition, the relative concentration of silica at the column outlet only slightly decreases to 0.9 with decreasing degrees of water saturation to 38%, because silica particles are trapped in straining regions in the soil pore and air-water interface. On the other hand, at pH 5 conditions (low pH), where sand and colloid have less charge, reduced repulsive forces result in colloidal silica attaching onto the sand in saturated conditions. The deposition amount of silica particles remarkably increases with decreasing degrees of water saturation to 37%, which is explained by more particles being retained in the sand column associated with the air-water interface. In conclusion, at higher pH, the mobility of silica particles is high, and the air-water interface is inactive for the deposition of silica. On the other hand, at low pH, the deposition amount increases with decreasing water saturation, and the particle transport is inhibited.
Walsh, J. A.; Palmer, T. S.; Urbatsch, T. J.
2013-07-01
A new method for generating discrete scattering cross sections to be used in charged particle transport calculations is investigated. The method of data generation is presented and compared to current methods for obtaining discrete cross sections. The new, more generalized approach allows greater flexibility in choosing a cross section model from which to derive discrete values. Cross section data generated with the new method is verified through a comparison with discrete data obtained with an existing method. Additionally, a charged particle transport capability is demonstrated in the time-dependent Implicit Monte Carlo radiative transfer code package, Milagro. The implementation of this capability is verified using test problems with analytic solutions as well as a comparison of electron dose-depth profiles calculated with Milagro and an already-established electron transport code. An initial investigation of a preliminary integration of the discrete cross section generation method with the new charged particle transport capability in Milagro is also presented. (authors)
NASA Astrophysics Data System (ADS)
Ha, Tae-Jun; Sonar, Prashant; Singh, Samarendra Pratap; Dodabalapur, Ananth
2011-03-01
There have been reports of charge transport mechanisms in organic thin film transistors (OTFTs) focusing on steady-state characteristics but these measurements provide limited information. Time-resolved measurements can provide additional information in understanding transport mechanisms but existing reports have focused on unipolar organic characteristics. No previous reports on ambipolar organic devices have involved entire velocity distribution and charge transport mechanisms. Recently, we have fabricated ambipolar OTFTs based on a diketopyrrolopyrrole-benzothiadiazole copolymer (PDPP-TBT) with a field-effect mobility of more than 0.2 cm2 V- 1 s - 1 . Velocity distributions are measured by performing specialized dynamic measurements while keeping the RC-time constant of the measurement circuit small. This yields a distribution in arrival times of charge carriers from source to drain which can be converted to velocity distributions. We will also describe dynamic transport measurements on high-k-dielectric PDPP-TBT OTFTs.
NASA Astrophysics Data System (ADS)
Grebenyuk, Serhiy A.; Perepichka, Igor F.; Popov, Anatolii F.
2002-11-01
The non-linear numerical method for evaluation of equilibrium constants and molar extinction coefficients of molecular complexes from a spectrophotometric experiment is described, which in contrast to linear models has no limitations with respect to concentrations of the components. The proposed procedure is applied to donor-acceptor interaction in solution between N-ethyl carbazole (EtCz) and 7,7,8,8-tetracyanoquinodimethane (TCNQ) or n-hexyl 2,5,7-trinitro-9-dicyanomethylenefluorene-4-carboxylate (HexDTFC) to evaluate the method and to obtain the parameters of charge transfer complexes (CTCs) formation. Association constants ( K) and molar extinction coefficients ( ɛ) of CTCs derived from non-linear approach (EtCz-TCNQ: K=2.49±0.19 M -1; ɛ=2950±160 M -1 cm -1. EtCz-HexDTFC: K=12.1±0.3 M -1; ɛ=1335±24 M -1 cm -1) are close to that from linear models but show lower standard errors in parameter estimations.
NASA Astrophysics Data System (ADS)
Wu, Sheldon S. Q.; Hartemann, F. V.; Barty, C. P. J.
2010-03-01
A study of thermally-induced vacuum polarization stemming from the Euler-Heisenberg nonlinear radiation correction to Maxwell equations is conducted. While nonlinear effects associated with photon-photon scattering in the photon gas had been previously calculated, we present an analysis in the framework of stochastic electrodynamics. To lowest order of approximation, it is shown that the phase velocity of light is reduced in the presence of intense ambient electromagnetic radiation. Therefore Cherenkov radiation can be generated when charged particles traverse a region of intense blackbody radiation. Suitable conditions may be found in astrophysical environments. Cosmic ray electrons and positrons in the GeV to TeV range meet the energy requirement for this process to occur. We present calculations of the emission characteristics and conditions under which Cherenkov radiation may be observed. This effect combined with synchrotron and inverse Compton processes may lead to a more complete understanding of cosmic ray propagation. Also of interest, the question of the linearity of the relic cosmic microwave background is under investigation using this formalism and will be discussed. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Leitherer, S. E-mail: Michael.Thoss@physik.uni-erlangen.de; Thoss, M. E-mail: Michael.Thoss@physik.uni-erlangen.de; Halik, M.
2014-05-28
We have investigated the conductance properties of C{sub 60}-containing self-assembled monolayers (SAMs), which are used in organic field-effect transistors, employing a combination of molecular-dynamics simulations, semiempirical electronic structure calculations, and Landauer transport theory. The results reveal the close relation between the transport characteristics and the structural and electronic properties of the SAM. Furthermore, both local pathways of charge transport in the SAMs and the influence of structural fluctuations are analyzed.
Edward A. Startsev; Ronald C. Davidson
2004-04-09
To achieve high focal spot intensities in heavy ion fusion, the ion beam must be compressed longitudinally by factors of ten to one hundred before it is focused onto the target. The longitudinal compression is achieved by imposing an initial velocity profile tilt on the drifting beam. In this paper, the problem of longitudinal drift compression of intense charged particle beams is solved analytically for the two important cases corresponding to a cold beam, and a pressure-dominated beam, using a one-dimensional warm-fluid model describing the longitudinal beam dynamics.
Jha, Abhishek K; Freed, Karl F
2009-01-01
We provide an improvement in the Langevin-Debye model currently being used in some implicit solvent models for computer simulations of solvation free energies of small organic molecules, as well as of biomolecular folding and binding. The analysis is based on the implementation of a charge-dependent Langevin-Debye (qLD) model that is modified by subsequent corrections due to Onsager and Kirkwood. The physical content of the model is elucidated by discussing the general treatment within the LD model of the self-energy of a charge submerged in a dielectric medium for three different limiting conditions and by considering the nonlinear response of the medium. The modified qLD model is used to refine an implicit solvent model (previously applied to protein dynamics). The predictions of the modified implicit solvent model are compared with those from explicit solvent molecular dynamics simulations for the equilibrium conformational populations of 1,2-dimethoxyethane (DME), which is the shortest ether molecule to reproduce the local conformational properties of PEO, a polymer with tremendous technological importance and a wide variety of applications. Because the conformational population preferences of DME change dramatically upon solvation, DME provides a good test case to validate our modified qLD model. PMID:18205504
NASA Technical Reports Server (NTRS)
Tkalcevic, S.
1982-01-01
The longitudinal resonance of waves and energetic electrons in the Earth's magnetosphere, and the possible role this resonance may play in generating various magnetospheric phenomena are studied. The derivation of time-averaged nonlinear equations of motion for energetic particles longitudinally resonant with a whistler mode wave propagating with nonzero wave normal is considered. It is shown that the wave magnetic forces can be neglected at lower particle pitch angles, while they become equal to or larger than the wave electric forces for alpha 20 deg. The time-averaged equations of motion were used in test particle simulation which were done for a wide range of wave amplitudes, wave normals, particle pitch angles, particle parallel velocities, and in an inhomogeneous medium such as the magnetosphere. It was found that there are two classes of particles, trapped and untrapped, and that the scattering and energy exchange for those two groups exhibit significantly different behavior.
Nonlinear waves in electron-positron-ion plasmas including charge separation
NASA Astrophysics Data System (ADS)
Mugemana, A.; Moolla, S.; Lazarus, I. J.
2017-02-01
Nonlinear low-frequency electrostatic waves in a magnetized, three-component plasma consisting of hot electrons, hot positrons and warm ions have been investigated. The electrons and positrons are assumed to have Boltzmann density distributions while the motion of the ions are governed by fluid equations. The system is closed with the Poisson equation. This set of equations is numerically solved for the electric field. The effects of the driving electric field, ion temperature, positron density, ion drift, Mach number and propagation angle are investigated. It is shown that depending on the driving electric field, ion temperature, positron density, ion drift, Mach number and propagation angle, the numerical solutions exhibit waveforms that are sinusoidal, sawtooth and spiky. The introduction of the Poisson equation increased the Mach number required to generate the waveforms but the driving electric field E 0 was reduced. The results are compared with satellite observations.
Nonlinear Response of Layer Growth Dynamics in the Mixed Kinetics-Bulk-Transport Regime
NASA Technical Reports Server (NTRS)
Vekilov, Peter G.; Alexander, J. Iwan D.; Rosenberger, Franz
1996-01-01
In situ high-resolution interferometry on horizontal facets of the protein lysozyme reveal that the local growth rate R, vicinal slope p, and tangential (step) velocity v fluctuate by up to 80% of their average values. The time scale of these fluctuations, which occur under steady bulk transport conditions through the formation and decay of step bunches (macrosteps), is of the order of 10 min. The fluctuation amplitude of R increases with growth rate (supersaturation) and crystal size, while the amplitude of the v and p fluctuations changes relatively little. Based on a stability analysis for equidistant step trains in the mixed transport-interface-kinetics regime, we argue that the fluctuations originate from the coupling of bulk transport with nonlinear interface kinetics. Furthermore, step bunches moving across the interface in the direction of or opposite to the buoyancy-driven convective flow increase or decrease in height, respectively. This is in agreement with analytical treatments of the interaction of moving steps with solution flow. Major excursions in growth rate are associated with the formation of lattice defects (striations). We show that, in general, the system-dependent kinetic Peclet number, Pe(sub k) , i.e., the relative weight of bulk transport and interface kinetics in the control of the growth process, governs the step bunching dynamics. Since Pe(sub k) can be modified by either forced solution flow or suppression of buoyancy-driven convection under reduced gravity, this model provides a rationale for the choice of specific transport conditions to minimize the formation of compositional inhomogeneities under steady bulk nutrient crystallization conditions.
NASA Technical Reports Server (NTRS)
Sellen, J. M., Jr.
1978-01-01
Charged and neutral particle transport from an 8 cm mercury ion thruster to the surfaces of the P 80-1 spacecraft and to the Teal Ruby sensor and the ECOM-501 sensor of that spacecraft were investigated. Laboratory measurements and analyses were used to examine line-of-sight and nonline-of sight particle transport modes. The recirculation of Hg(+) ions in the magnetic field of the earth was analyzed for spacecraft velocity and Earth magnetic field vector configurations which are expected to occur in near Earth, circular, high inclination orbits. For these magnetic field and orbit conditions and for expected ion release distribution functions, in both angles and energies, the recirculation/re-interception of ions on spacecraft surfaces was evaluated. The refraction of weakly energetic ions in the electric fields of the thruster plasma plume and in the electric fields between this plasma plume and the material boundaries of the thruster, the thruster sputter shield, and the various spacecraft surfaces were examined. The neutral particle transport modes of interest were identified as sputtered metal atoms from the thruster beam shield. Results, conclusions, and future considerations are presented.
Charge transport in amorphous and tetragonal semiconducting YBaCuO films
NASA Astrophysics Data System (ADS)
Çelik-Butler, Z.; Shan, P. C.; Butler, D. P.; Jahanzeb, A.; Travers, C. M.; Kula, W.; Sobolewski, R.
1997-06-01
We have explored the charge transport mechanisms in six different YBaCuO semiconducting thin films in the temperature range of 70 K to room temperature. Two of the samples were deposited on LaAlO 3 substrate and were tetragonal with the composition of YBa 2Cu 3O 6.5 and YBa 2Cu 3O 6.3. The other four were amorphous as-deposited on Si substrate with and without a MgO buffer layer, and on an oxidized Si substrate with and without a MgO buffer layer. All tested films exhibited semiconductor-type resistance vs. temperature characteristics with increasing resistance as the temperature was decreased. Around room temperature all six samples had thermally activated transport characteristics that was interpreted as activation of hole-like carriers from localized states around the Fermi level to extended states. As the temperature was decreased, two tetragonal samples went through a transition to a variable range hopping-like conduction. The amorphous ones remained within the thermally-activated transport regime in the temperature range of 253 K to 318 K, with EA ≈ 0.2 eV.
Inter-strand coupling and base pairing sequences in DNA charge transport.
NASA Astrophysics Data System (ADS)
Yudiarsah, Efta; Ulloa, Sergio
2006-03-01
The electronic transport properties of double-stranded DNA are studied using a tight-binding Hamiltonian. Transfer and scattering matrix methods for double strands are employed simultaneously in the calculation, guaranteeing numerical stability. Realistic on-site energies [1] and hopping constants are used in the model [2]. The role of inter-strand coupling is shown to be extremely important for random sequences typical of genetic DNA. In contrast, inter-strand coupling only changes slightly the charge transport properties for more periodic sequences. The effect of base-pairing across strands and details of the sequences were investigated. Our model shows that the resistance of DNA depends on the sequences and the ratio of the bases. This agrees with previous results by Roche [3]. The resistance is also shown to increase with the concentration of different bases in a homogenous strand, and we find that for certain sequences only short-range electronic transport is possible.[1] H. Sugiyama and I. Saito, J. Am. Chem. Soc. 118, 7063 (1996).[2] A. A. Voityuk, J. Jortner, M. Bixon, and N. Rosch, J. Chem. Phys. 114, 5614 (2001).[3] S. Roche, Phys. Rev. Lett. 91, 108101 (2003).
Ion transport through a charged cylindrical membrane pore contacting stagnant diffusion layers
NASA Astrophysics Data System (ADS)
Andersen, Mathias B.; Biesheuvel, P. M.; Bazant, Martin Z.; Mani, Ali
2012-11-01
Fundamental understanding of the ion transport in membrane systems by diffusion, electromigration and advection is important in widespread processes such as de-ionization by reverse osmosis and electrodialysis and electro-osmotic micropumps. Here we revisit the classical analysis of a single cylindrical pore, see e.g. Gross and Osterle [J Chem Phys 49, 228 (1968)]. We extend the analysis by including the well-established concept of contacting stagnant diffusion layers on either side of the pore; thus, the pore is not in direct equilibrium with the reservoirs. Inside the pore the ions are assumed to be in quasi-equilibrium in the radial direction with the surface charge on the pore wall and we obtain a 1D model by area-averaging. We demonstrate that in some extreme limits this model reduces to simpler models studied in the literature; see e.g. Yaroshchuk [J Membrane Sci 396, 43 (2012)]. Using our model we present predictions of important transport effects such as variation of transport numbers inside the membrane, onset of limiting current, and transient dynamics described by the method of characteristics.
Charge transport in CdTe solar cells revealed by conductive tomographic atomic force microscopy
NASA Astrophysics Data System (ADS)
Luria, Justin; Kutes, Yasemin; Moore, Andrew; Zhang, Lihua; Stach, Eric A.; Huey, Bryan D.
2016-11-01
The influence of microstructural defects on the device properties in CdTe remains largely unknown. This is partly because characterization techniques have been unable to image electrical pathways throughout three-dimensional grains and grain boundaries with nanoscale resolution. Here, we employ a conductive and tomographic variation of atomic force microscopy to study charge transport at the nanoscale in a functioning thin-film solar cell with 12.3% efficiency. Images of electric current collected through the device thickness reveal spatially dependent short-circuit and open-circuit performance, and confirm that grain boundaries are preferential pathways for electron transport. Results on samples with and without cadmium chloride treatment reveal little difference in grain structure at the microscale, with samples without treatment showing almost no photocurrent either at planar defects or at grain boundaries. Our results supports an energetically orthogonal transport system of grain boundaries and interconnected planar defects as contributing to optimal solar cell performance, contrary to the conventional wisdom of the deleterious role of planar defects on polycrystalline thin-film solar cells.
Disorder Effects in Charge Transport and Spin Response of Topological Insulators
NASA Astrophysics Data System (ADS)
Zhao, Lukas Zhonghua
Topological insulators are a class of solids in which the non-trivial inverted bulk band structure gives rise to metallic surface states that are robust against impurity backscattering. First principle calculations predicted Bi2Te3, Sb2Te3 and Bi2Se3 to be three-dimensional (3D) topological insulators with a single Dirac cone on the surface. The topological surface states were subsequently observed by angle-resolved photoemission (ARPES) and scanning tunneling microscopy (STM). The investigations of charge transport through topological surfaces of 3D topological insulators, however, have faced a major challenge due to large charge carrier densities in the bulk donated by randomly distributed defects such as vacancies and antisites. This bulk disorder intermixes surface and bulk conduction channels, thereby complicating access to the low-energy (Dirac point) charge transport or magnetic response and resulting in the relatively low measured carrier mobilities. Moreover, charge inhomogeneity arising from bulk disorder can result in pronounced nanoscale spatial fluctuations of energy on the surface, leading to the formation of surface `puddles' of different carrier types. Great efforts have been made to combat the undesirable effects of disorder in 3D topological insulators and to reduce bulk carriers through chemical doping, nanostructure fabrication, and electric gating. In this work we have developed a new way to reduce bulk carrier densities using high-energy electron irradiation, thereby allowing us access to the topological surface quantum channels. We also found that disorder in 3D topological insulators can be beneficial. It can play an important part in enabling detection of unusual magnetic response from Dirac fermions and in uncovering new excitations, namely surface superconductivity in Dirac `puddles'. In Chapter 3 we show how by using differential magnetometry we could probe spin rotation in the 3D topological material family (Bi2Se 3, Bi2Te3 and Sb2Te3
NASA Astrophysics Data System (ADS)
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.
NASA Astrophysics Data System (ADS)
Rahimi, Ronak; Roberts, Alex; Narang, V.; Kumbham, Vamsi Krishna; Korakakis, D.
2013-03-01
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].