WorldWideScience

Sample records for singly charged organic

  1. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

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

  2. Spin and charge transport study in single crystal organic semiconductors

    Science.gov (United States)

    Raman, Karthik V.; Mulder, Carlijn L.; Baldo, Marc A.; Moodera, Jagadeesh S.

    2009-03-01

    Spin transport studies in amorphous rubrene films have shown exciting and promising results [1]. A large spin diffusion length in these amorphous films has increased the motivation to perform spin transport study in high purity single crystal rubrene. This will provide the fundamental understanding on the spin transport behavior in OS; not influenced by defects or traps. We will present work on small channel single crystal rubrene FET device with magnetic electrodes. For example, our preliminary studies have show mobility for FET with Co electrode to be 0.014cm^2/V-s. A study on the spin and charge transport properties in single crystals of OS with magnetic electrodes is being done and the results will be reported. The influence of gate voltage and applied magnetic field on the transport properties will be discussed. [1] J.H. Shim et al., PRL 100, 226603 (2008)

  3. Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang

    2014-12-10

    The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering. Organic semiconductors are emerging as viable materials for low-cost electronics and optoelectronics, such as organic photovoltaics (OPV), organic field effect transistors (OFETs), and organic light emitting diodes (OLEDs). Despite extensive studies spanning many decades, a clear understanding of the nature of charge carriers in organic semiconductors is still lacking. It is generally appreciated that polaron formation and charge carrier trapping are two hallmarks associated with electrical transport in organic semiconductors; the former results from the low dielectric constants and weak intermolecular electronic overlap while the latter can be attributed to the prevalence of structural disorder. These properties have lead to the common observation of low charge carrier mobilities, e.g., in the range of 10-5 - 10-3 cm2/Vs, particularly at low carrier concentrations. However, there is also growing evidence that charge carrier mobility approaching those of inorganic semiconductors and metals can exist in some crystalline organic semiconductors, such as pentacene, tetracene and rubrene. A particularly striking example is single crystal rubrene (Figure 1), in which hole mobilities well above 10 cm2/Vs have been observed in OFETs operating at room temperature. Temperature dependent transport and spectroscopic measurements both revealed evidence of free carriers in rubrene. Outstanding questions are: what are the structural features and physical properties that make rubrene so unique? How do we establish fundamental design principles for the development of other organic semiconductors of high mobility? These questions are critically important but not comprehensive, as the nature of

  4. Single Molecule Spectroelectrochemistry of Interfacial Charge Transfer Dynamics In Hybrid Organic Solar Cell

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Shanlin [Univ. of Alabama, Tuscaloosa, AL (United States)

    2014-11-16

    Our research under support of this DOE grant is focused on applied and fundamental aspects of model organic solar cell systems. Major accomplishments are: 1) we developed a spectroelectorchemistry technique of single molecule single nanoparticle method to study charge transfer between conjugated polymers and semiconductor at the single molecule level. The fluorescence of individual fluorescent polymers at semiconductor surfaces was shown to exhibit blinking behavior compared to molecules on glass substrates. Single molecule fluorescence excitation anisotropy measurements showed the conformation of the polymer molecules did not differ appreciably between glass and semiconductor substrates. The similarities in molecular conformation suggest that the observed differences in blinking activity are due to charge transfer between fluorescent polymer and semiconductor, which provides additional pathways between states of high and low fluorescence quantum efficiency. Similar spectroelectrochemistry work has been done for small organic dyes for understand their charge transfer dynamics on various substrates and electrochemical environments; 2) We developed a method of transferring semiconductor nanoparticles (NPs) and graphene oxide (GO) nanosheets into organic solvent for a potential electron acceptor in bulk heterojunction organic solar cells which employed polymer semiconductor as the electron donor. Electron transfer from the polymer semiconductor to semiconductor and GO in solutions and thin films was established through fluorescence spectroscopy and electroluminescence measurements. Solar cells containing these materials were constructed and evaluated using transient absorption spectroscopy and dynamic fluorescence techniques to understand the charge carrier generation and recombination events; 3) We invented a spectroelectorchemistry technique using light scattering and electroluminescence for rapid size determination and studying electrochemistry of single NPs in an

  5. Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang [Columbia Univ., New York, NY (United States); Frisbie, Daniel [Univ. of Minnesota, Minneapolis, MN (United States)

    2017-03-31

    The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering.

  6. Estimation of the spatial distribution of traps using space-charge-limited current measurements in an organic single crystal

    KAUST Repository

    Dacuña, Javier

    2012-09-06

    We used a mobility edge transport model and solved the drift-diffusion equation to characterize the space-charge-limited current of a rubrene single-crystal hole-only diode. The current-voltage characteristics suggest that current is injection-limited at high voltage when holes are injected from the bottom contact (reverse bias). In contrast, the low-voltage regime shows that the current is higher when holes are injected from the bottom contact as compared to hole injection from the top contact (forward bias), which does not exhibit injection-limited current in the measured voltage range. This behavior is attributed to an asymmetric distribution of trap states in the semiconductor, specifically, a distribution of traps located near the top contact. Accounting for a localized trap distribution near the contact allows us to reproduce the temperature-dependent current-voltage characteristics in forward and reverse bias simultaneously, i.e., with a single set of model parameters. We estimated that the local trap distribution contains 1.19×1011 cm -2 states and decays as exp(-x/32.3nm) away from the semiconductor-contact interface. The local trap distribution near one contact mainly affects injection from the same contact, hence breaking the symmetry in the charge transport. The model also provides information of the band mobility, energy barrier at the contacts, and bulk trap distribution with their corresponding confidence intervals. © 2012 American Physical Society.

  7. Twisted intramolecular charge transfer investigation of semi organic L-Glutamic acid hydrochloride single crystal for organic light-emitting and optical limiting applications

    Science.gov (United States)

    Joy, Lija K.; George, Merin; Alex, Javeesh; Aravind, Arun; Sajan, D.; Vinitha, G.

    2018-03-01

    Single crystals of L-Glutamic acid hydrochloride (LGHCl) were grown by slow evaporation solution technique and good crystalline perfection was confirmed by Powder X-ray diffraction studies. The complete vibrational studies of the compound were analyzed by FT-IR, FT-Raman and UV-visible spectra combined with Normal Coordinate Analysis (NCA) following the scaled quantum mechanical force field methodology and density functional theory (DFT). Twisted Intramolecular Charge Transfer (ICT) occurs due to the presence of strong ionic intra-molecular Nsbnd H⋯O hydrogen bonding was confirmed by Hirshfeld Surface analysis. The existence of intermolecular Nsbnd H⋯Cl hydrogen bonds due to the interaction between the lone pair of oxygen with the antibonding orbital was established by NBO analysis. The Z-scan result indicated that the title molecule exhibits saturable absorption behavior. The attractive third-order nonlinear properties suggest that LGHCl can be a promising candidate for the design and development devices for optical limiting applications. LGHCL exhibits distinct emission in the blue region of the fluorescence lifetime which proves to be a potential candidate for blue- Organic light-emitting diodes (OLEDs) fabrication.

  8. Spontaneously formed high-performance charge-transport layers of organic single-crystal semiconductors on precisely synthesized insulating polymers

    Science.gov (United States)

    Makita, Tatsuyuki; Sasaki, Masayuki; Annaka, Tatsuro; Sasaki, Mari; Matsui, Hiroyuki; Mitsui, Chikahiko; Kumagai, Shohei; Watanabe, Shun; Hayakawa, Teruaki; Okamoto, Toshihiro; Takeya, Jun

    2017-04-01

    Charge-transporting semiconductor layers with high carrier mobility and low trap-density, desired for high-performance organic transistors, are spontaneously formed as a result of thermodynamic phase separation from a blend of π-conjugated small molecules and precisely synthesized insulating polymers dissolved in an aromatic solvent. A crystal film grows continuously to the size of centimeters, with the critical conditions of temperature, concentrations, and atmosphere. It turns out that the molecular weight of the insulating polymers plays an essential role in stable film growth and interfacial homogeneity at the phase separation boundary. Fabricating the transistor devices directly at the semiconductor-insulator boundaries, we demonstrate that the mixture of 3,11-didecyldinaphtho[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene and poly(methyl methacrylate) with the optimized weight-average molecular weight shows excellent device performances. The spontaneous phase separation with a one-step fabrication process leads to a high mobility up to 10 cm2 V-1 s-1 and a low subthreshold swing of 0.25 V dec-1 even without any surface treatment such as self-assembled monolayer modifications on oxide gate insulators.

  9. Charge transport in organic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ortmann, Frank

    2009-07-01

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

  10. Simulations of charge transport in organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vehoff, Thorsten

    2010-05-05

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

  11. Charge orders in organic charge-transfer salts

    Science.gov (United States)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Becca, Federico

    2017-10-01

    Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ-(BEDT-TTF)2Cu[N(CN)2]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order.

  12. Nuclear structure and the single charge exchange

    International Nuclear Information System (INIS)

    Oset, E.; Strottman, D.

    1979-01-01

    The influence of nuclear structure on meson-induced single-charge-exchange reactions on light nuclei is discussed within the context of the Glauber approximation. Selection rules which are expected to be approximately obeyed in elastic and inelastic pion and kaon scattering are proposed. Theoretical predictions are presented for (π + ,π 0 ) and (K + ,K 0 ) reactions on 13 C. 14 figures

  13. Charge-transport simulations in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    May, Falk

    2012-07-06

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

  14. Charged particle detection in organic semiconductors

    CERN Document Server

    Beckerle, P

    2000-01-01

    Polyacetylene is an organic semiconductor in which charges can be set free by a traversing charged particle, transported by an electric field to read-out electrodes and, subsequently, amplified and recorded in a way similar to what happens in a silicon-drift detector. In an experimental investigation of the features of this charge transport in thin foils we find drift velocities of the order of 40 cm/s. Stretching of the foils by a factor of three to four increases the drift velocity by a factor of ten and introduces a strong directionality of the charge transport. The detection efficiency of 5 MeV alpha particles in a few micron thin stretched foil is around 70%.

  15. Anomalous Charge Transport in Disordered Organic Semiconductors

    International Nuclear Information System (INIS)

    Muniandy, S. V.; Woon, K. L.; Choo, K. Y.

    2011-01-01

    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.

  16. Heat dissipation in relativistic single charged fluids

    Science.gov (United States)

    Garcia-Perciante, A. L.; Sandoval-Villalbazo, A.; Brun-Battistini, D.

    2015-11-01

    When the temperature of a fluid is increased its out of equilibrium behavior is significantly modified. In particular kinetic theory predicts that the heat flux is not solely driven by a temperature gradient but can also be coupled to other thermodynamic vector forces. We explore the nature of heat conduction in a single component charged fluid in special relativity, where the electromagnetic field is introduced as an external force. We obtain an electrothermal effect, similar to the mixture's cross-effect, which is not present in the non-relativistic simple fluid. The general lines of the corresponding calculation will be shown, emphasizing the importance of reference frame invariance and the origin of the extra heat sources, in particular the role of the modified inertia and the difference in fluid's and molecules' proper times. The constitutive equation for the heat flux obtained using Chapman-Enskog's expansion in Marle's approximation will be analyzed together with the corresponding transport coefficients.The impact of this effect in the overall dynamics of the system here considered will be briefly discussed. The authors acknowledge support from CONACyT through grant CB2011/167563.

  17. Charge exchange between singly ionized helium ions

    International Nuclear Information System (INIS)

    Choi, B.H.; Poe, R.T.; Tang, K.T.

    1978-01-01

    The plane-wave Born approximation was used to evaluate the charge transfer cross sections for the reaction He + + He + → He ++ + He. The charge transfer cross section is graphed as a function of incident energy and compared with experimental measurements

  18. Intrinsic Charge Transport in Organic Field-Effect Transistors

    Science.gov (United States)

    Podzorov, Vitaly

    2005-03-01

    Organic field-effect transistors (OFETs) are essential components of modern electronics. Despite the rapid progress of organic electronics, understanding of fundamental aspects of the charge transport in organic devices is still lacking. Recently, the OFETs based on highly ordered organic crystals have been fabricated with innovative techniques that preserve the high quality of single-crystal organic surfaces. This technological progress facilitated the study of transport mechanisms in organic semiconductors [1-4]. It has been demonstrated that the intrinsic polaronic transport, not dominated by disorder, with a remarkably high mobility of ``holes'' μ = 20 cm^2/Vs can be achieved in these devices at room temperature [4]. The signatures of the intrinsic polaronic transport are the anisotropy of the carrier mobility and an increase of μ with cooling. These and other aspects of the charge transport in organic single-crystal FETs will be discussed. Co-authors are Etienne Menard, University of Illinois at Urbana Champaign; Valery Kiryukhin, Rutgers University; John Rogers, University of Illinois at Urbana Champaign; Michael Gershenson, Rutgers University. [1] V. Podzorov et al., Appl. Phys. Lett. 82, 1739 (2003); ibid. 83, 3504 (2003). [2] V. C. Sundar et al., Science 303, 1644 (2004). [3] R. W. I. de Boer et al., Phys. Stat. Sol. (a) 201, 1302 (2004). [4] V. Podzorov et al., Phys. Rev. Lett. 93, 086602 (2004).

  19. Single molecule charge transport : From a quantum mechanical to a classical description

    NARCIS (Netherlands)

    Kocherzhenko, A.A.; Grozema, F.C.; Siebbeles, L.D.A.

    2010-01-01

    This paper explores charge transport at the single molecule level. The conductive properties of both small organic molecules and conjugated polymers (molecular wires) are considered. In particular, the reasons for the transition from fully coherent to incoherent charge transport and the approaches

  20. Charge transport in amorphous organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lukyanov, Alexander

    2011-03-15

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

  1. Single Gold Nanorod Charge Modulation in an Ion Gel Device.

    Science.gov (United States)

    Collins, Sean S E; Wei, Xingzhan; McKenzie, Thomas G; Funston, Alison M; Mulvaney, Paul

    2016-11-09

    A reliable and reproducible method to rapidly charge single gold nanocrystals in a solid-state device is reported. Gold nanorods (Au NRs) were integrated into an ion gel capacitor, enabling them to be charged in a transparent and highly capacitive device, ideal for optical transmission. Changes in the electron concentration of a single Au NR were observed with dark-field imaging spectroscopy via localized surface plasmon resonance (LSPR) shifts in the scattering spectrum. A time-resolved, laser-illuminated, dark-field system was developed to enable direct measurement of single particle charging rates with time resolution below one millisecond. The added sensitivity of this new approach has enabled the optical detection of fewer than 110 electrons on a single Au NR. Single wavelength resonance shifts provide a much faster, more sensitive method for all surface plasmon-based sensing applications.

  2. Single-molecule probes in organic field-effect transistors

    NARCIS (Netherlands)

    Nicolet, Aurélien Armel Louis

    2007-01-01

    The goal of this thesis is to study charge transport phenomena in organic materials. This is done optically by means of single-molecule spectroscopy in a field-effect transistor based on a molecular crystal. We present (in Chapter 2) a fundamental requirement for single-molecule spectroscopy

  3. Single- and double-charge exchange at low pion energies

    International Nuclear Information System (INIS)

    Baer, H.W.

    1991-01-01

    A review is given of pion single- and double-charge exchange reactions at incident energies of 25 to 65 MeV leading to isobaric analog states, and in the case of double-charge exchange leading to the ground state of the residual nucleus. The crucial role of the higher nuclear transparency at low pion energies for the analysis of the data in terms of single and double scattering is demonstrated. The large effects on double-charge exchange produced by the spatial correlations in nuclear wave functions are evident. The data on 1f 7/2 nuclei at 35 MeV are used to establish the general validity of a shell-model-based two-amplitude model for these transitions. Recent measurements of the energy dependence between 25 and 65 MeV of double-charge exchange cross sections at forward angles are presented and discussed. 33 refs., 19 figs

  4. Charge transient spectroscopy of C 60 single crystals

    Science.gov (United States)

    Baranc̆ok, D.; Halus̆ka, M.; Kuzmany, H.; Nádaz̆dy, V.

    1994-01-01

    Suitability of the charge transient spectroscopy — QTS for the investigation of fullerites is demonstrated. QTS can yield an information on the electrical properties of both the bulk and the interface of fullerites interfaced with metals (insulators, semiconductors) as well as on its bulk phase transition. Our measurements were carried out on C60 single crystals. We observed a single QTS peak which reflects most probably a thermally activated relaxation process (polarization or trap - limited charge emission) in the crystal. The expected phase transition was detected as a step of QTS signal at 255 K. The influence of a thermal treatment in air on the QTS peak was also observed.

  5. Single-charge tunneling in ambipolar silicon quantum dots

    NARCIS (Netherlands)

    Müller, Filipp

    2015-01-01

    Spin qubits in coupled quantum dots (QDs) are promising for future quantum information processing (QIP). A quantum bit (qubit) is the quantum mechanical analogon of a classical bit. In general, each quantum mechanical two-level system can represent a qubit. For the spin of a single charge carrier

  6. Single-sheet identification method of heavy charged particles using ...

    Indian Academy of Sciences (India)

    of the single-sheet particle identification technique in CR-39 and CN-85 polycarbonate by plotting track cone length ... in neutron dosimetry, gamma and cosmic rays detection, heavy ion and nuclear physics and corpuscular ..... [13] R P Henke and E V Benton, Charged particle tracks in polymers: No. 5-A com- puter code for ...

  7. Organic field-effect transistors using single crystals.

    Science.gov (United States)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-04-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  8. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

    Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  9. Surface charge modulated aptasensor in a single glass conical nanopore.

    Science.gov (United States)

    Cai, Sheng-Lin; Cao, Shuo-Hui; Zheng, Yu-Bin; Zhao, Shuang; Yang, Jin-Lei; Li, Yao-Qun

    2015-09-15

    In this work, we have proposed a label-free nanopore-based biosensing strategy for protein detection by performing the DNA-protein interaction inside a single glass conical nanopore. A lysozyme binding aptamer (LBA) was used to functionalize the walls of glass nanopore via siloxane chemistry and negatively charged recognition sites were thus generated. The covalent modification procedures and their recognition towards lysozyme of the single conical nanopore were characterized via ionic current passing through the nanopore membrane, which was measured by recording the current-voltage (I-V) curves in 1mM KCl electrolyte at pH=7.4. With the occurring of recognition event, the negatively charged wall was partially neutralized by the positively charged lysozyme molecules, leading to a sensitive change of the surface charge-dependent current-voltage (I-V) characteristics. Our results not only demonstrate excellent selectivity and sensitivity towards the target protein, but also suggest a route to extend this nanopore-based sensing strategy to the biosensing platform designs of a wide range of proteins based on a charge modulation. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Single-Organ Gallbladder Vasculitis

    Science.gov (United States)

    Hernández-Rodríguez, José; Tan, Carmela D.; Rodríguez, E. René; Hoffman, Gary S.

    2014-01-01

    Abstract Systemic vasculitis (SV) involving abdominal structures usually has a poor prognosis. Gallbladder vasculitis (GV) has been reported as part of SV (GB-SV) and focal single-organ vasculitis (GB-SOV). We analyzed clinical and histologic characteristics of patients with GV to identify features that differentiate GB-SOV from the systemic forms of GV. To identify affected patients with GV we used pathology databases from our institution and an English-language PubMed search. Clinical manifestations, laboratory and histologic features, treatment administered, and outcomes were recorded. Patients were divided in 2 groups, GB-SOV and GB-SV. As in previous studies of single-organ vasculitis, GB-SOV was only considered to be a sustainable diagnosis if disease beyond the gallbladder was not apparent after a follow-up period of at least 6 months. Sixty-one well-characterized patients with GV were included (6 from our institution). There was no significant sex bias (32 female patients, 29 male). Median age was 52 years (range, 18–94 yr). GB-SOV was found in 20 (33%) and GB-SV in 41 (67%) patients. No differences were observed in age, sex frequency, or duration of gallbladder symptoms between groups. Past episodes of recurrent right-upper quadrant or abdominal pain and lithiasic cholecystitis were more frequent in GB-SOV patients, whereas acalculous cholecystitis occurred more often in GB-SV. In GB-SV, gallbladder-related symptoms occurred more often concomitantly with or after the systemic features, but they sometimes appeared before SV was fully developed (13.5%). Constitutional and musculoskeletal symptoms were reported only in GB-SV patients. Compared to GB-SOV, GB-SV patients presented more often with fever (62.5% vs 20%; p = 0.003) and exhibited higher erythrocyte sedimentation rate levels (80 ± 28 vs 37 ± 25 mm/h, respectively; p = 0.006). All GB-SV patients required glucocorticoids and 50% of them also received cytotoxic agents. Mortality in

  11. Charge-density matching in organic-inorganic uranyl compounds

    International Nuclear Information System (INIS)

    Krivovichev, S.V.; Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.

    2007-01-01

    Single crystals of [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 (H 2 O)](H 2 SeO 4 ) 0.85 (H 2 O) 2 (1), [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 ] (H 2 SeO 4 ) 0.50 (H 2 O) (2), and [C 8 H 20 N] 2 [(UO 2 )(SeO 4 ) 2 (H 2 O)] (H 2 O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO 7 and SeO 4 polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO 2 (SeO 4 ) 2 (H 2 O)] 2- chains are separated by mixed organic-inorganic layers comprising from [NH 3 (CH 2 ) 10 NH 3 ] 2+ molecules, H 2 O molecules, and disordered electroneutral (H 2 SeO 4 ) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO 2 (SeO 4 ) 2 ] 2- sheet. The structure of 3 does not contain disordered (H 2 SeO 4 ) groups but is based upon alternating [UO 2 (SeO 4 ) 2 (H 2 O)] 2- sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH 3 (CH 2 ) 7 CH 3 ] + . The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in general, actinyl) chemistry, it requires specific additional mechanisms: (a) in long-chain-amine-templated compounds, protonated amine molecules inter-digitate; (b) in long-chain-diamine-templated compounds, incorporation of acid-water interlayers into

  12. Positioning and joining of organic single-crystalline wires

    Science.gov (United States)

    Wu, Yuchen; Feng, Jiangang; Jiang, Xiangyu; Zhang, Zhen; Wang, Xuedong; Su, Bin; Jiang, Lei

    2015-01-01

    Organic single-crystal, one-dimensional materials can effectively carry charges and/or excitons due to their highly ordered molecule packing, minimized defects and eliminated grain boundaries. Controlling the alignment/position of organic single-crystal one-dimensional architectures would allow on-demand photon/electron transport, which is a prerequisite in waveguides and other optoelectronic applications. Here we report a guided physical vapour transport technique to control the growth, alignment and positioning of organic single-crystal wires with the guidance of pillar-structured substrates. Submicrometre-wide, hundreds of micrometres long, highly aligned, organic single-crystal wire arrays are generated. Furthermore, these organic single-crystal wires can be joined within controlled angles by varying the pillar geometries. Owing to the controllable growth of organic single-crystal one-dimensional architectures, we can present proof-of-principle demonstrations utilizing joined wires to allow optical waveguide through small radii of curvature (internal angles of ~90–120°). Our methodology may open a route to control the growth of organic single-crystal one-dimensional materials with potential applications in optoelectronics. PMID:25814032

  13. A compact source for bunches of singly charged atomic ions

    Science.gov (United States)

    Murböck, T.; Schmidt, S.; Andelkovic, Z.; Birkl, G.; Nörtershäuser, W.; Vogel, M.

    2016-04-01

    We have built, operated, and characterized a compact ion source for low-energy bunches of singly charged atomic ions in a vacuum beam line. It is based on atomic evaporation from an electrically heated oven and ionization by electron impact from a heated filament inside a grid-based ionization volume. An adjacent electrode arrangement is used for ion extraction and focusing by applying positive high-voltage pulses to the grid. The method is particularly suited for experimental environments which require low electromagnetic noise. It has proven simple yet reliable and has been used to produce μs-bunches of up to 106 Mg+ ions at a repetition rate of 1 Hz. We present the concept, setup and characterizing measurements. The instrument has been operated in the framework of the SpecTrap experiment at the HITRAP facility at GSI/FAIR to provide Mg+ ions for sympathetic cooling of highly charged ions by laser-cooled 24Mg+.

  14. Charge transport in nanoscale lateral and vertical organic semiconductor devices

    NARCIS (Netherlands)

    Xu, Bojian

    2017-01-01

    Organic semiconductors have been drawing more and more attention due to their huge potential for low-cost, flexible, printable electronics and spintronics. In this thesis research, we have investigated charge transport in two organic semiconductors, DXP and P3HT, in different device configurations.

  15. Inclusive photoproduction of single charged particles at high p T

    Science.gov (United States)

    Apsimon, R. J.; Atkinson, M.; Baake, M.; Bagdasarian, L. S.; Barberis, D.; Brodbeck, T. J.; Brook, N.; Charity, T.; Clegg, A. B.; Coyle, P.; Danaher, S.; Danagulian, S.; Davenport, M.; Dickinson, B.; Diekmann, B.; Donnachie, A.; Doyle, A. T.; Eades, J.; Ellison, R. J.; Flower, P. S.; Foster, J. M.; Galbraith, W.; Galumian, P. I.; Gapp, C.; Gebert, F.; Hallewell, G.; Heinloth, K.; Henderson, R. C. W.; Hickman, M. T.; Hoeger, C.; Holzkamp, S.; Hughes-Jones, R. E.; Ibbotson, M.; Jakob, H. P.; Joseph, D.; Keemer, N. R.; Kingler, J.; Koersgen, G.; Kolya, S. D.; Lafferty, G. D.; McCann, H.; McClatchey, R.; McManus, C.; Mercer, D.; Morris, J. A. G.; Morris, J. V.; Newton, D.; O'Connor, A.; Oedingen, R.; Oganesian, A. G.; Ottewell, P. J.; Paterson, C. N.; Paul, E.; Reid, D.; Rotscheidt, H.; Sharp, P. H.; Soeldner-Rembold, S.; Thacker, N. A.; Thompson, L.; Thompson, R. J.; Voigtlaender-Tetzner, A.; Waterhouse, J.; Weigend, A. S.; Wilson, G. W.

    1989-03-01

    Single charged-particle inclusive cross sections for photon, pion and kaon beams on hydrogen at the CERN-SPS are presented as functions of p T and x F . Data cover the range 0.01.6 GeV/c for the photon-induced data. Using the hadron-induced data to estimate the hadronic behaviour of the photon, the difference distributions and ratios of cross sections are a measure of the contribution of the point-like photon interactions. The data are compared with QCD calculations and show broadly similar features.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-01-21

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

  17. Single photon emission from charged excitons in CdTe/ZnTe quantum dots

    Science.gov (United States)

    Belyaev, K. G.; Rakhlin, M. V.; Sorokin, S. V.; Klimko, G. V.; Gronin, S. V.; Sedova, I. V.; Mukhin, I. S.; Ivanov, S. V.; Toropov, A. A.

    2017-11-01

    We report on micro-photoluminescence studies of individual self-organized CdTe/ZnTe quantum dots intended for single-photon-source applications in a visible spectral range. The quantum dots surface density below 1010 per cm2 was achieved by using a thermally activated regime of molecular beam epitaxy that allowed fabrication of etched mesa-structures containing only a few emitting quantum dots. The single photon emission with the autocorrelation function g(2)(0)<0.2 was detected and identified as recombination of charged excitons in the individual quantum dot.

  18. Charge-density matching in organic-inorganic uranyl compounds

    Energy Technology Data Exchange (ETDEWEB)

    Krivovichev, S.V. [Saint Petersburg State Univ., Dept. of Crystallography, Faculty of Geology (Russian Federation); Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F. [Russian Academy of Sciences, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Moscow (Russian Federation)

    2007-10-15

    Single crystals of [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}SeO{sub 4}){sub 0.85}(H{sub 2}O){sub 2} (1), [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}] (H{sub 2}SeO{sub 4}){sub 0.50}(H{sub 2}O) (2), and [C{sub 8}H{sub 20}N]{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (H{sub 2}O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO{sub 7} and SeO{sub 4} polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} chains are separated by mixed organic-inorganic layers comprising from [NH{sub 3}(CH{sub 2}){sub 10}NH{sub 3}]{sup 2+} molecules, H{sub 2}O molecules, and disordered electroneutral (H{sub 2}SeO{sub 4}) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO{sub 2}(SeO{sub 4}){sub 2}]{sup 2-} sheet. The structure of 3 does not contain disordered (H{sub 2}SeO{sub 4}) groups but is based upon alternating [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH{sub 3}(CH{sub 2}){sub 7}CH{sub 3}]{sup +}. The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in

  19. Measuring charge density of electron beam single nanosecond pulses

    International Nuclear Information System (INIS)

    Gonchar, A.I.; Nesterenko, V.S.; Fazkullin, V.A.

    1982-01-01

    A description is presented of a probe design and electrometric repeater circuit and technique for measuring the charge (current) density of electron beam single pulses by integrating current at a reference capacitor with a subsequent registering of voltage across the capacitor. The probe consists of a band-type signal electrodes and two oval cross-section sleeves: external and internal with larger and smaller rectangular openings, respectively. The external sleeve has antidynatron grid located over the hole. The design employs integer nickel sleever - the cores of electron tube cathodes. The signal electrode is made of nickel band 0.15 mm thick. The probe elements are insulated from each other along the whole length with a layer of teflon band (30 μm), with rectangular openings cut in compliance with the sleeve openings. The measurement range is from 0.4x10 - 9 to 1x10 - 7 C/cm 2 . The rated accuracy of measurements is no worse than +-5% for the beam energy of 0.2 to 3 KeV. The ultimate parameters the charge density - 6 C/cm 2 and direct current density 3 mA/cm 2 - are specified by the breakdown voltage (200 V) of the input capacitor and probe insulation

  20. Anomalous charge storage exponents of organic bulk heterojunction solar cells.

    Science.gov (United States)

    Nair, Pradeep; Dwivedi, Raaz; Kumar, Goutam; Dept of Electrical Engineering, IIT Bombay Team

    2013-03-01

    Organic bulk heterojunction (BHJ) devices are increasingly being researched for low cost solar energy conversion. The efficiency of such solar cells is dictated by various recombination processes involved. While it is well known that the ideality factor and hence the charge storage exponents of conventional PN junction diodes are influenced by the recombination processes, the same aspects are not so well understood for organic solar cells. While dark currents of such devices typically show an ideality factor of 1 (after correcting for shunt resistance effects, if any), surprisingly, a wide range of charge storage exponents for such devices are reported in literature alluding to apparent concentration dependence for bi-molecular recombination rates. In this manuscript we critically analyze the role of bi-molecular recombination processes on charge storage exponents of organic solar cells. Our results indicate that the charge storage exponents are fundamentally influenced by the electrostatics and recombination processes and can be correlated to the dark current ideality factors. We believe that our findings are novel, and advance the state-of the art understanding on various recombination processes that dictate the performance limits of organic solar cells. The authors would like to thank the Centre of Excellence in Nanoelectronics (CEN) and the National Centre for Photovoltaic Research and Education (NCPRE), IIT Bombay for computational and financial support

  1. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    KAUST Repository

    Vandewal, Koen

    2013-11-17

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

  2. Intrinsic Charge Carrier Mobility in Single-Layer Black Phosphorus.

    Science.gov (United States)

    Rudenko, A N; Brener, S; Katsnelson, M I

    2016-06-17

    We present a theory for single- and two-phonon charge carrier scattering in anisotropic two-dimensional semiconductors applied to single-layer black phosphorus (BP). We show that in contrast to graphene, where two-phonon processes due to the scattering by flexural phonons dominate at any practically relevant temperatures and are independent of the carrier concentration n, two-phonon scattering in BP is less important and can be considered negligible at n≳10^{13}  cm^{-2}. At smaller n, however, phonons enter in the essentially anharmonic regime. Compared to the hole mobility, which does not exhibit strong anisotropy between the principal directions of BP (μ_{xx}/μ_{yy}∼1.4 at n=10^{13} cm^{-2} and T=300  K), the electron mobility is found to be significantly more anisotropic (μ_{xx}/μ_{yy}∼6.2). Absolute values of μ_{xx} do not exceed 250 (700)  cm^{2} V^{-1} s^{-1} for holes (electrons), which can be considered as an upper limit for the mobility in BP at room temperature.

  3. Models of charge pair generation in organic solar cells.

    Science.gov (United States)

    Few, Sheridan; Frost, Jarvist M; Nelson, Jenny

    2015-01-28

    Efficient charge pair generation is observed in many organic photovoltaic (OPV) heterojunctions, despite nominal electron-hole binding energies which greatly exceed the average thermal energy. Empirically, the efficiency of this process appears to be related to the choice of donor and acceptor materials, the resulting sequence of excited state energy levels and the structure of the interface. In order to establish a suitable physical model for the process, a range of different theoretical studies have addressed the nature and energies of the interfacial states, the energetic profile close to the heterojunction and the dynamics of excited state transitions. In this paper, we review recent developments underpinning the theory of charge pair generation and phenomena, focussing on electronic structure calculations, electrostatic models and approaches to excited state dynamics. We discuss the remaining challenges in achieving a predictive approach to charge generation efficiency.

  4. Twisted intra-molecular charge transfer investigations of semiorganic triglycine phosphate single crystal for non linear optical applications

    Science.gov (United States)

    Meera, M. R.; Joselin Beaula, T.; Rayar, S. L.; Bena Jothy, V.

    2017-09-01

    NLO materials are gaining importance in technologies such as optical communication, optical computing and dynamic image processing. Many NLO crystals grown by mixing amino acids with various organic and inorganic acids have been reported in the literature. Hence, glycine mixed semi-organic material will be of special interest as a fundamental building block to develop many complex crystals with improved NLO properties. A semi organic Single crystal of Triglycine Phosphate (TGP) which was grown and spectral analysis have been using FTIR and Raman spectral analysis. Natural Bond Orbital Analysis and the atomic natural charges are also predicted. HOMO LUMO energy gap value suggests the possibility of charge transfer within the molecule.

  5. Directional Charge Separation in Isolated Organic Semiconductor Crystalline Nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, Michael; Labastide, Joelle; Bond-Thompson, Hilary; Briseno, Alejandro; Collela, Nicolas

    2017-03-01

    In the conventional view of organic photovoltaics (OPV), localized electronic excitations (excitons) formed in the active layer are transported by random 3D diffusion to an interface where charge separation and extraction take place. Because radiative de-excitation is usually strongly allowed in organic semiconductors, efficient charge separation requires high exciton mobility, with much of the diffusive motion ‘wasted’ in directions that don’t result in an interface encounter. Our research efforts are focused on ways to enforce a preferred directionality in energy and/or charge transport using ordered crystalline nanowires in which the intermolecular interactions that facilitate transport along, for example, the pi-stacking axis, can be made several orders of magnitude stronger than those in a transverse direction. The results presented in our recent work (Nature Communications) is a first step towards realizing the goal of directional control of both energy transport and charge separation, where excitons shared between adjacent molecules dissociate exclusively along the pi-stacking direction.

  6. Quantum tunnelling and charge accumulation in organic ferroelectric memory diodes

    Science.gov (United States)

    Ghittorelli, Matteo; Lenz, Thomas; Sharifi Dehsari, Hamed; Zhao, Dong; Asadi, Kamal; Blom, Paul W. M.; Kovács-Vajna, Zsolt M.; de Leeuw, Dago M.; Torricelli, Fabrizio

    2017-06-01

    Non-volatile memories--providing the information storage functionality--are crucial circuit components. Solution-processed organic ferroelectric memory diodes are the non-volatile memory candidate for flexible electronics, as witnessed by the industrial demonstration of a 1 kbit reconfigurable memory fabricated on a plastic foil. Further progress, however, is limited owing to the lack of understanding of the device physics, which is required for the technological implementation of high-density arrays. Here we show that ferroelectric diodes operate as vertical field-effect transistors at the pinch-off. The tunnelling injection and charge accumulation are the fundamental mechanisms governing the device operation. Surprisingly, thermionic emission can be disregarded and the on-state current is not space charge limited. The proposed model explains and unifies a wide range of experiments, provides important design rules for the implementation of organic ferroelectric memory diodes and predicts an ultimate theoretical array density of up to 1012 bit cm-2.

  7. Nuclear isovector giant resonances excited by pion single charge exchange

    International Nuclear Information System (INIS)

    King, B.H.

    1993-07-01

    This thesis is an experimental study of isovector giant resonances in light nuclei excited by pion single charge exchange reactions. Giant dipole resonances in light nuclei are known to be highly structured. For the mass 9 and 13 giant dipole resonances, isospin considerations were found to be very important to understanding this structure. by comparing the excitation functions from cross section measurements of the (π + , π 0 ) and (π, π 0 ) inclusive reactions, the authors determined the dominant isospin structure of the analog IVGR's. The comparison was made after decomposing the cross section into resonant and non-resonant components. This decomposition is made in the framework of strong absorption and quasi-free scattering. Measurements in the region of the isovector giant dipole resonances (IVGDR) were made to cover the inclusive angular distributions out to the second minimum. Study of the giant resonance decay process provides further understanding of the resonances. This study was carried out by observing the (π + , π 0 p) coincident reactions involving the resonances of 9 B and 13 N excited from 9 Be and 13 C nuclei. These measurements determined the spectra of the decay protons. This method also permitted a decomposition of the giant resonances into their isospin components. The multipolarities of the resonances were revealed by the decay proton angular correlations which, for dipoles, are of the form 1 + A 2 P 2 (cos θ)

  8. Disorder-tuned charge transport in organic semiconductors

    Science.gov (United States)

    Xu, Feng; Qiu, Dong; Yan, Dadong

    2013-02-01

    We propose that the polaron transport in organic semiconductors is remarkably tuned by the fluctuation of polarization energy. The tuning effect of energetic fluctuation not only causes a continuous transition from non-Arrhenius to Arrhenius temperature activated charge transport with increasing moderate disorder strengths but also results in a band-like conduction in the low disorder regime which benefits from the enhanced mobilities in shallow trap states. As a result, a unified description of polaron transport is obtained for a set of typical organic semiconductors.

  9. Highly Charged Protein Ions: The Strongest Organic Acids to Date.

    Science.gov (United States)

    Zenaidee, Muhammad A; Leeming, Michael G; Zhang, Fangtong; Funston, Toby T; Donald, William A

    2017-07-10

    The basicity of highly protonated cytochrome c (cyt c) and myoglobin (myo) ions were investigated using tandem mass spectrometry, ion-molecule reactions (IMRs), and theoretical calculations as a function of charge state. Surprisingly, highly charged protein ions (HCPI) can readily protonate non-polar molecules and inert gases, including Ar, O 2 , and N 2 in thermal IMRs. The most HCPIs that can be observed are over 130 kJ mol -1 less basic than the least basic neutral organic molecules known (tetrafluoromethane and methane). Based on theoretical calculations, it is predicted that protonated cyt c and myo ions should spontaneously lose a proton to vacuum for charge states in which every third residue is protonated. In this study, HCPIs are formed where every fourth residue on average is protonated. These results indicate that protein ions in higher charge states can be formed using a low-pressure ion source to reduce proton-transfer reactions between protein ions and gases from the atmosphere. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Light Emitting Transistors of Organic Single Crystals

    Science.gov (United States)

    Iwasa, Yoshihiro

    2009-03-01

    Organic light emitting transistors (OLETs) are attracting considerable interest as a novel function of organic field effect transistors (OFETs). Besides a smallest integration of light source and current switching devices, OLETs offer a new opportunity in the fundamental research on organic light emitting devices. The OLET device structure allows us to use organic single crystals, in contrast to the organic light emitting diodes (OLEDs), the research of which have been conducted predominantly on polycrystalline or amorphous thin films. In the case of OFETs, use of single crystals have produced a significant amount of benefits in the studies of pursuit for the highest performance limit of FETs, intrinsic transport mechanism in organic semiconductors, and application of the single crystal transistors. The study on OLETs have been made predominantly on polycrystalline films or multicomponent heterojunctions, and single crystal study is still limited to tetracene [1] and rubrene [2], which are materials with relatively high mobility, but with low photoluminescence efficiency. In this paper, we report fabrication of single crystal OLETs of several kinds of highly luminescent molecules, emitting colorful light, ranging from blue to red. Our strategy is single crystallization of monomeric or oligomeric molecules, which are known to have a very high photoluminescence efficiency. Here we report the result on single crystal LETs of rubrene (red), 4,4'-bis(diphenylvinylenyl)-anthracene (green), 1,4-bis(5-phenylthiophene-2-yl)benzene (AC5) (green), and 1,3,6,8-tetraphenylpyrene (TPPy) (blue), all of which displayed ambipolar transport as well as peculiar movement of voltage controlled movement of recombination zone, not only from the surface of the crystal but also from the edges of the crystals, indicting light confinement inside the crystal. Realization of ambipolar OLET with variety of single crystals indicates that the fabrication method is quite versatile to various light

  11. Lead Halide Perovskites as Charge Generation Layers for Electron Mobility Measurement in Organic Semiconductors.

    Science.gov (United States)

    Love, John A; Feuerstein, Markus; Wolff, Christian M; Facchetti, Antonio; Neher, Dieter

    2017-12-06

    Hybrid lead halide perovskites are introduced as charge generation layers (CGLs) for the accurate determination of electron mobilities in thin organic semiconductors. Such hybrid perovskites have become a widely studied photovoltaic material in their own right, for their high efficiencies, ease of processing from solution, strong absorption, and efficient photogeneration of charge. Time-of-flight (ToF) measurements on bilayer samples consisting of the perovskite CGL and an organic semiconductor layer of different thickness are shown to be determined by the carrier motion through the organic material, consistent with the much higher charge carrier mobility in the perovskite. Together with the efficient photon-to-electron conversion in the perovskite, this high mobility imbalance enables electron-only mobility measurement on relatively thin application-relevant organic films, which would not be possible with traditional ToF measurements. This architecture enables electron-selective mobility measurements in single components as well as bulk-heterojunction films as demonstrated in the prototypical polymer/fullerene blends. To further demonstrate the potential of this approach, electron mobilities were measured as a function of electric field and temperature in an only 127 nm thick layer of a prototypical electron-transporting perylene diimide-based polymer, and found to be consistent with an exponential trap distribution of ca. 60 meV. Our study furthermore highlights the importance of high mobility charge transporting layers when designing perovskite solar cells.

  12. Single-Bunch Stability With Direct Space Charge

    CERN Multimedia

    Oeftiger, Adrian

    2017-01-01

    Previous studies have shown the suppressing effect of direct space charge on impedance-driven head-tail instabilities. The present work investigates transverse stability for the HL-LHC scenario based on our macro-particle simulation tool PyHEADTAIL using realistic bunch distributions. The impact of selfconsistent modelling is briefly discussed for non-linear space charge forces. We study how space charge pushes the instability threshold for the transverse mode coupling instability (TMCI) occurring between mode 0 and -1. Next we consider finite chromaticity: in absence of space charge, the impedance model predicts head-tail instabilities. For a selected case below TMCI threshold at Q0 = 5, we demonstrate the stabilising effect of space charge. Finally, we compare simulation results to past LHC measurements.

  13. Dynamic character of charge transport parameters in disordered organic semiconductor field-effect transistors.

    Science.gov (United States)

    Chen, Y; Lee, B; Yi, H T; Lee, S S; Payne, M M; Pola, S; Kuo, C-H; Loo, Y-L; Anthony, J E; Tao, Y T; Podzorov, V

    2012-11-07

    In this perspective article, we discuss the dynamic instability of charge carrier transport in a range of popular organic semiconductors. We observe that in many cases field-effect mobility, an important parameter used to characterize the performance of organic field-effect transistors (OFETs), strongly depends on the rate of the gate voltage sweep during the measurement. Some molecular systems are so dynamic that their nominal mobility can vary by more than one order of magnitude, depending on how fast the measurements are performed, making an assignment of a single mobility value to devices meaningless. It appears that dispersive transport in OFETs based on disordered semiconductors, those with a high density of localized trap states distributed over a wide energy range, is responsible for the gate voltage sweep rate dependence of nominal mobility. We compare such rate dependence in different materials and across different device architectures, including pristine and trap-dominated single-crystal OFETs, as well as solution-processed polycrystalline thin-film OFETs. The paramount significance given to a single mobility value in the organic electronics community and the practical importance of OFETs for applications thus suggest that such an issue, previously either overlooked or ignored, is in fact a very important point to consider when engaging in fundamental studies of charge carrier mobility in organic semiconductors or designing applied circuits with organic semiconductors.

  14. KNO scaling analysis of singly charged projectile fragments at relativistic energies

    International Nuclear Information System (INIS)

    Marimuthu, N.; Singh, V.; Inbanathan, S.S.R.

    2016-01-01

    This research article deals with the KNO scaling behaviour of singly charged projectile fragments emitted during 84 Kr 36 interactions with nuclear emulsion detector at around one GeV per nucleon. We observed that singly charged projectile fragments are strongly obeying the KNO scaling behaviour. (author)

  15. The charge collection in single side silicon microstrip detectors

    CERN Document Server

    Eremin, V V; Roe, S; Ruggiero, G; Weilhammer, Peter

    2003-01-01

    The transient current technique has been used to investigate signal formation in unirradiated silicon microstrip detectors, which are similar in geometry to those developed for the ATLAS experiment at LHC. Nanosecond pulsed infrared and red lasers were used to induce the signals under study. Two peculiarities in the detector performance were observed: an unexpectedly slow rise to the signal induced in a given strip when signals are injected opposite to the strip, and a long duration of the induced signal in comparison with the calculated drift time of charge carriers through the detector thickness - with a significant fraction of the charge being induced after charge carrier arrival. These major effects and details of the detector response for different positions of charge injection are discussed in the context of Ramo's theorem and compared with predictions arising from the more commonly studied phenomenon of signal formation in planar pad detectors.

  16. Bulk-Like Electrical Properties Induced by Contact-Limited Charge Transport in Organic Diodes: Revised Space Charge Limited Current

    KAUST Repository

    Xu, Guangwei

    2018-02-22

    Charge transport governs the operation and performance of organic diodes. Illuminating the charge-transfer/transport processes across the interfaces and the bulk organic semiconductors is at the focus of intensive investigations. Traditionally, the charge transport properties of organic diodes are usually characterized by probing the current–voltage (I–V) curves of the devices. However, to unveil the landscape of the underlying potential/charge distribution, which essentially determines the I–V characteristics, still represents a major challenge. Here, the electrical potential distribution in planar organic diodes is investigated by using the scanning Kelvin probe force microscopy technique, a method that can clearly separate the contact and bulk regimes of charge transport. Interestingly, by applying to devices based on novel, high mobility organic materials, the space-charge-limited-current-like I–V curves, which are previously believed to be a result of the bulk transport, are surprisingly but unambiguously demonstrated to be caused by contact-limited conduction. A model accounting is developed for the transport properties of both the two metal/organic interfaces and the bulk. The results indicate that pure interface-dominated transport can indeed give rise to I–V curves similar to those caused by bulk transport. These findings provide a new insight into the charge injection and transport processes in organic diodes.

  17. Deterministic Electrical Charge-State Initialization of Single Nitrogen-Vacancy Center in Diamond

    Directory of Open Access Journals (Sweden)

    Y. Doi

    2014-03-01

    Full Text Available Apart from applications in classical information-processing devices, the electrical control of atomic defects in solids at room temperature will have a tremendous impact on quantum devices that are based on such defects. In this study, we demonstrate the electrical manipulation of individual prominent representatives of such atomic solid-state defects, namely, the negative charge state of single nitrogen-vacancy defect centers (NV^{−} in diamond. We experimentally demonstrate, deterministic, purely electrical charge-state initialization of individual NV centers. The NV centers are placed in the intrinsic region of a p-i-n diode structure that facilitates the delivery of charge carriers to the defect for charge-state switching. The charge-state dynamics of a single NV center were investigated by time-resolved measurements and a nondestructive single-shot readout of the charge state. Fast charge-state switching rates (from negative to neutrally charged defects, which are greater than 0.72 ± 0.10  μs^{−1}, were realized. Furthermore, in no-operation mode, the realized charge states were stable for presumably much more than 0.45 s. We believe that the results obtained are useful not only for ultrafast electrical control of qubits, long T_{2} quantum memory, and quantum sensors associated with single NV centers but also for classical memory devices based on single atomic storage bits working under ambient conditions.

  18. Single charging events on colloidal particles in a nonpolar liquid with surfactant

    Science.gov (United States)

    Schreuer, Caspar; Vandewiele, Stijn; Brans, Toon; Strubbe, Filip; Neyts, Kristiaan; Beunis, Filip

    2018-01-01

    Electrical charging of colloidal particles in nonpolar liquids due to surfactant additives is investigated intensively, motivated by its importance in a variety of applications. Most methods rely on average electrophoretic mobility measurements of many particles, which provide only indirect information on the charging mechanism. In the present work, we present a method that allows us to obtain direct information on the charging mechanism, by measuring the charge fluctuations on individual particles with a precision higher than the elementary charge using optical trapping electrophoresis. We demonstrate the capabilities of the method by studying the influence of added surfactant OLOA 11000 on the charging of single colloidal PMMA particles in dodecane. The particle charge and the frequency of charging events are investigated both below and above the critical micelle concentration (CMC) and with or without applying a DC offset voltage. It is found that at least two separate charging mechanisms are present below the critical micelle concentration. One mechanism is a process where the particle is stripped from negatively charged ionic molecules. An increase in the charging frequency with increased surfactant concentration suggests a second mechanism that involves single surfactant molecules. Above the CMC, neutral inverse micelles can also be involved in the charging process.

  19. Quantum tunnelling and charge accumulation in organic ferroelectric memory diodes.

    Science.gov (United States)

    Ghittorelli, Matteo; Lenz, Thomas; Sharifi Dehsari, Hamed; Zhao, Dong; Asadi, Kamal; Blom, Paul W M; Kovács-Vajna, Zsolt M; de Leeuw, Dago M; Torricelli, Fabrizio

    2017-06-12

    Non-volatile memories-providing the information storage functionality-are crucial circuit components. Solution-processed organic ferroelectric memory diodes are the non-volatile memory candidate for flexible electronics, as witnessed by the industrial demonstration of a 1 kbit reconfigurable memory fabricated on a plastic foil. Further progress, however, is limited owing to the lack of understanding of the device physics, which is required for the technological implementation of high-density arrays. Here we show that ferroelectric diodes operate as vertical field-effect transistors at the pinch-off. The tunnelling injection and charge accumulation are the fundamental mechanisms governing the device operation. Surprisingly, thermionic emission can be disregarded and the on-state current is not space charge limited. The proposed model explains and unifies a wide range of experiments, provides important design rules for the implementation of organic ferroelectric memory diodes and predicts an ultimate theoretical array density of up to 10 12  bit cm -2 .

  20. Single-sheet identification method of heavy charged particles using ...

    Indian Academy of Sciences (India)

    The theoretical and experimental investigations of the penetration of charged particles in matter played a very important role in the development of modern physics. Solid state nuclear track detectors have become one of the most important tools for many branches of science and technology. An attempt has been made to ...

  1. Electrochemical charging of the single-layer graphene membrane

    Czech Academy of Sciences Publication Activity Database

    Komínková, Zuzana; Kalbáč, Martin

    2016-01-01

    Roč. 253, č. 12 (2016), s. 2331-2335 ISSN 0370-1972 R&D Projects: GA MŠk LL1301; GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388955 Keywords : electrochemical charging * graphene membrane * in situ Raman spectroelectrochemistry Subject RIV: CG - Electrochemistry Impact factor: 1.674, year: 2016

  2. Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

    KAUST Repository

    Chen, Xiankai

    2016-09-05

    In organic solar cells, a major source of energy loss is attributed to nonradiative recombination from the interfacial charge transfer states to the ground state. By taking pentacene–C60 complexes as model donor–acceptor systems, a comprehensive theoretical understanding of how molecular packing and charge delocalization impact these nonradiative recombination rates at donor–acceptor interfaces is provided.

  3. Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

    Science.gov (United States)

    Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

    2008-11-01

    Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

  4. Single-Walled Carbon-Nanotubes-Based Organic Memory Structures

    Directory of Open Access Journals (Sweden)

    Sundes Fakher

    2016-09-01

    Full Text Available The electrical behaviour of organic memory structures, based on single-walled carbon-nanotubes (SWCNTs, metal–insulator–semiconductor (MIS and thin film transistor (TFT structures, using poly(methyl methacrylate (PMMA as the gate dielectric, are reported. The drain and source electrodes were fabricated by evaporating 50 nm gold, and the gate electrode was made from 50 nm-evaporated aluminium on a clean glass substrate. Thin films of SWCNTs, embedded within the insulating layer, were used as the floating gate. SWCNTs-based memory devices exhibited clear hysteresis in their electrical characteristics (capacitance–voltage (C–V for MIS structures, as well as output and transfer characteristics for transistors. Both structures were shown to produce reliable and large memory windows by virtue of high capacity and reduced charge leakage. The hysteresis in the output and transfer characteristics, the shifts in the threshold voltage of the transfer characteristics, and the flat-band voltage shift in the MIS structures were attributed to the charging and discharging of the SWCNTs floating gate. Under an appropriate gate bias (1 s pulses, the floating gate is charged and discharged, resulting in significant threshold voltage shifts. Pulses as low as 1 V resulted in clear write and erase states.

  5. Single-Walled Carbon-Nanotubes-Based Organic Memory Structures.

    Science.gov (United States)

    Fakher, Sundes; Nejm, Razan; Ayesh, Ahmad; Al-Ghaferi, Amal; Zeze, Dagou; Mabrook, Mohammed

    2016-09-02

    The electrical behaviour of organic memory structures, based on single-walled carbon-nanotubes (SWCNTs), metal-insulator-semiconductor (MIS) and thin film transistor (TFT) structures, using poly(methyl methacrylate) (PMMA) as the gate dielectric, are reported. The drain and source electrodes were fabricated by evaporating 50 nm gold, and the gate electrode was made from 50 nm-evaporated aluminium on a clean glass substrate. Thin films of SWCNTs, embedded within the insulating layer, were used as the floating gate. SWCNTs-based memory devices exhibited clear hysteresis in their electrical characteristics (capacitance-voltage (C-V) for MIS structures, as well as output and transfer characteristics for transistors). Both structures were shown to produce reliable and large memory windows by virtue of high capacity and reduced charge leakage. The hysteresis in the output and transfer characteristics, the shifts in the threshold voltage of the transfer characteristics, and the flat-band voltage shift in the MIS structures were attributed to the charging and discharging of the SWCNTs floating gate. Under an appropriate gate bias (1 s pulses), the floating gate is charged and discharged, resulting in significant threshold voltage shifts. Pulses as low as 1 V resulted in clear write and erase states.

  6. Charge collection measurements in single-type column 3D sensors

    International Nuclear Information System (INIS)

    Scaringella, M.; Polyakov, A.; Sadrozinski, H.F.-W.; Bruzzi, M.; Tosi, C.; Boscardin, M.; Piemonte, C.; Pozza, A.; Ronchin, S.; Zorzi, N.; Dalla Betta, G.-F.

    2007-01-01

    We report on charge collection studies on 3D silicon detectors of single-type column n-diffusions in p-substrate, configured either as strip or as pad detectors. The charge is generated by penetrating beta particles from a 90 Sr source which, together with a scintillation counter, serves as an electron telescope. The charge collection as a function of bias voltage is compared with the depletion thickness derived from the measured C-V characteristics

  7. Charge collection measurements with p-type Magnetic Czochralski silicon single pad detectors

    International Nuclear Information System (INIS)

    Tosi, C.; Bruzzi, M.; Macchiolo, A.; Scaringella, M.; Petterson, M.K.; Sadrozinski, H.F.-W.; Betancourt, C.; Manna, N.; Creanza, D.; Boscardin, M.; Piemonte, C.; Zorzi, N.; Borrello, L.; Messineo, A.

    2007-01-01

    The charge collected from beta source particles in single pad detectors produced on p-type Magnetic Czochralski (MCz) silicon wafers has been measured before and after irradiation with 26 MeV protons. After a 1 MeV neutron equivalent fluence of 1x10 15 cm -2 the collected charge is reduced to 77% at bias voltages below 900 V. This result is compared with previous results from charge collection measurements

  8. Thermal detection of trapped charge carriers in organic transport materials

    Science.gov (United States)

    von Malm, Norwin; Steiger, Juergen; Finnberg, Torsten; Schmechel, Roland; von Seggern, Heinz

    2003-03-01

    The effect of trap states on the transport and luminescence properties of organic light emitting diodes (OLEDs) is studied. For trap level detection energy resolved thermally stimulated current (TSC) measurements known as fractional glow are utilized to determine the density of occupied states (DOOS) in various organic semiconductors such as the small molecule systems Alq3 [aluminum tris(8-hydroxyquinoline)], 1-NaphDATA {4,4',4"-tris-[N-(1-naphtyl)-N-phenylamino]-triphenylamine} and α-NPD [N,N'-di-(1-naphthyl)-N,N'-diphenylbenzidine] and the polymeric semiconductor MDMO-PPV {poly[2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylenevinylene]}. Characteristic differences in the trap spectra are obtained and interpreted in terms of possible structural and compositional origins of the investigated materials. In order to judge the formation process of traps and their practical consequences on the charge carrier transport I-V and L-V characteristics of 1-NaphDATA doped α-NPD devices and α-NPD doped 1-NaphDATA devices were compared to respective non-doped samples. A clearly reduced current and luminescence was found only in the former case. It was possible to conclude that the detected electronic trap states either act as hole traps or as scattering centers. Furthermore, pulsed transport studies on ITO/α-NPD/Alq3/Al devices show thte critical influence of traps on the dynamical performance of the charge transport. In a two-pulse experiment the carrier injection and trap depletion can be separated.

  9. Glass coated single grid for charged particle acceleration

    Science.gov (United States)

    Banks, B. A.; Nakanishi, S.

    1968-01-01

    Glass coating is used on a single grid accelerator system for ion thrusters. The uniformly thin, smooth, dense, impervious glass coating has a high dielectric strength and is firmly bonded to the accelerator grid.

  10. Highly efficient tandem organic light-emitting devices employing an easily fabricated charge generation unit

    Science.gov (United States)

    Yang, Huishan; Yu, Yaoyao; Wu, Lishuang; Qu, Biao; Lin, Wenyan; Yu, Ye; Wu, Zhijun; Xie, Wenfa

    2018-02-01

    We have realized highly efficient tandem organic light-emitting devices (OLEDs) employing an easily fabricated charge generation unit (CGU) combining 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile with ultrathin bilayers of CsN3 and Al. The charge generation and separation processes of the CGU have been demonstrated by studying the differences in the current density–voltage characteristics of external-carrier-excluding devices. At high luminances of 1000 and 10000 cd/m2, the current efficiencies of the phosphorescent tandem device are about 2.2- and 2.3-fold those of the corresponding single-unit device, respectively. Simultaneously, an efficient tandem white OLED exhibiting high color stability and warm white emission has also been fabricated.

  11. A graphene quantum dot with a single electron transistor as an integrated charge sensor

    Science.gov (United States)

    Wang, Lin-Jun; Cao, Gang; Tu, Tao; Li, Hai-Ou; Zhou, Cheng; Hao, Xiao-Jie; Su, Zhan; Guo, Guang-Can; Jiang, Hong-Wen; Guo, Guo-Ping

    2010-12-01

    A quantum dot (QD) with an integrated charge sensor is becoming a common architecture for a spin or charge based solid state qubit. To implement such a structure in graphene, we have fabricated a twin-dot structure in which the larger dot serves as a single electron transistor (SET) to read out the charge state of the nearby gate controlled small QD. A high SET sensitivity of 10-3e/√Hz allowed us to probe Coulomb charging as well as excited state spectra of the QD, even in the regime where the current through the QD is too small to be measured by conventional transport means.

  12. Range and energetics of charge hopping in organic semiconductors

    Science.gov (United States)

    Abdalla, Hassan; Zuo, Guangzheng; Kemerink, Martijn

    2017-12-01

    The recent upswing in attention for the thermoelectric properties of organic semiconductors (OSCs) adds urgency to the need for a quantitative description of the range and energetics of hopping transport in organic semiconductors under relevant circumstances, i.e., around room temperature (RT). In particular, the degree to which hops beyond the nearest neighbor must be accounted for at RT is still largely unknown. Here, measurements of charge and energy transport in doped OSCs are combined with analytical modeling to reach the univocal conclusion that variable-range hopping is the proper description in a large class of disordered OSC at RT. To obtain quantitative agreement with experiment, one needs to account for the modification of the density of states by ionized dopants. These Coulomb interactions give rise to a deep tail of trap states that is independent of the material's initial energetic disorder. Insertion of this effect into a classical Mott-type variable-range hopping model allows one to give a quantitative description of temperature-dependent conductivity and thermopower measurements on a wide range of disordered OSCs. In particular, the model explains the commonly observed quasiuniversal power-law relation between the Seebeck coefficient and the conductivity.

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

    DEFF Research Database (Denmark)

    Goertz, Simon; Klose, Andreas

    2007-01-01

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

  14. Detection of charged particles with a methylammonium lead tribromide perovskite single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qiang [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Wei, Haotong; Wei, Wei [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Chuirazzi, William; DeSantis, Dylan [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Huang, Jinsong, E-mail: jhuang2@unl.edu [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Cao, Lei, E-mail: cao.152@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

    2017-03-11

    Methylammonium lead tribromide (MAPbBr{sub 3}) perovskite crystals have attracted significant attention due to their attractive performance in various optoelectronic applications such as solar cells, light-emitting devices, photodetectors, and recently in X-ray detectors. In this study, we demonstrate a possible use of perovskite-based devices for detection of charged particles (which can be applied in basic scientific research, health physics, and environmental analysis) and investigate the mechanism of fundamental charge transport inside perovskite crystals. It was found that inexpensive MAPbBr{sub 3} single crystals could be used for measuring the energy spectrum of charged particles through direct collection of the produced charge. After fitting the plot of the centroid peak position versus voltage with the Hecht equation for single-polarity charge transport, the obtained hole mobility-lifetime product was in the range of (0.4–1.6)×10{sup −3} cm{sup 2}/V.

  15. Self-interaction and charge transfer in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Koerzdoerfer, Thomas

    2009-12-18

    This work concentrates on the problem of self-interaction, which is one of the most serious problems of commonly used approximative density functionals. As a major result of this work, it is demonstrated that self-interaction plays a decisive role for the performance of different approximative functionals in predicting accurate electronic properties of organic molecular semiconductors. In search for a solution to the self-interaction problem, a new concept for correcting commonly used density functionals for self-interaction is introduced and applied to a variety of systems, spanning small molecules, extended molecular chains, and organic molecular semiconductors. It is further shown that the performance of functionals that are not free from self-interaction can vary strongly for different systems and observables of interest, thus entailing the danger of misinterpretation of the results obtained from those functionals. The underlying reasons for the varying performance of commonly used density functionals are discussed thoroughly in this work. Finally, this thesis provides strategies that allow to analyze the reliability of commonly used approximations to the exchange-correlation functional for particular systems of interest. This cumulative dissertation is divided into three parts. Part I gives a short introduction into DFT and its time-dependent extension (TDDFT). Part II provides further insights into the self-interaction problem, presents a newly developed concept for the correction of self-interaction, gives an introduction into the publications, and discusses their basic results. Finally, the four publications on self-interaction and charge-transfer in extended molecular systems and organic molecular semiconductors are collected in Part III. (orig.)

  16. Efficient green phosphorescent tandem organic light emitting diodes with solution processable mixed hosts charge generating layer

    Energy Technology Data Exchange (ETDEWEB)

    Talik, N.A.; Yeoh, K.H.; Ng, C.Y.B [Low Dimensional Research Center, Department of Physics, University Malaya, 50603 Kuala Lumpur (Malaysia); ItraMAS Corporation. Sdn. Bhd., 542A-B Mukim 1, Lorong Perusahaan Baru 2, Kawasan Perindustrian, Perai 13600, Penang (Malaysia); Yap, B.K. [Center of Microelectronic and Nanotechnology Engineering (CeMNE), College of Engineering, Universiti Tenaga Nasional, Jln. Uniten-Ikram, 4300 Kajang, Selangor (Malaysia); Woon, K.L., E-mail: ph7klw76@um.edu.my [Low Dimensional Research Center, Department of Physics, University Malaya, 50603 Kuala Lumpur (Malaysia)

    2014-10-15

    A novel solution processable charge generating layer (CGL) that consists of 1,4,5,8,9,11-hexaazatriphenylene hexacarbonitrile (HATCN{sub 6})/Poly(N-vinylcarbazole) (PVK): 1,1-bis-(4-bis(4-tolyl)-aminophenyl) cyclohexene (TAPC) for a tandem green phosphorescent organic light emitting diode (PHOLED) is demonstrated. The use of orthogonal solvent to dissolve HATCN{sub 6} and PVK:TAPC is the key to overcome the interface erosion problem for the solution processed CGL. The current efficiency of the 2 wt% TAPC mixed with PVK is the highest at 24.2 cd/A, which is more than three-folds higher than that of the single device at 1000 cd/m{sup 2}. - Highlights: • A solution processable tandem OLED is built using a novel charge generating layer. • HATCN{sub 6} and PVK:TAPC are shown to be effective charge generating layers. • The turn on voltages for tandem devices are almost similar to single unit. • 2 wt% TAPC blended with PVK exhibits three-folds increase in efficiency.

  17. A Study of Charged Current Single Charged Pion Productions on Carbon in a Few-GeV Neutrino Beam

    Energy Technology Data Exchange (ETDEWEB)

    Hiraide, Katsuki [Kyoto Univ. (Japan)

    2009-01-01

    Understanding single charged pion production via neutrino-nucleus charged current interaction in the neutrino energy region of a few GeV is essential for future neutrino oscillation experiments since this process is a dominant background for vμ → vx oscillation measurements. There are two contributions to this process: single pion production via baryonic resonance (vμN → μ-+) and coherent pion production interacting with the entire nucleus (vμA → μ-+), where N is nucleon in the nucleus and A is the nucleus. The purpose of the study presented in this thesis is a precise measurement of charged current single charged pion productions, resonant and coherent pion productions, with a good final state separation in the neutrino energy region of a few GeV. In this thesis, we focus on the study of charged current coherent pion production from muon neutrinos scattering on carbon, vμ 12C → μ-12+, in the SciBooNE experiment. This is motivated by the fact that without measuring this component first, the precise determination of resonant pion production cross section can not be achieved since the contribution of coherent pion production in the region of small muon scattering angle is not small. Furthermore, the coherent process is particularly interesting because it is deeply rooted in fundamental physics via Adler's partially conserved axial-vector current theorem. We took data from June 2007 until August 2008, in both the neutrino and antineutrino beam. In total, 2.52 x 1020 protons on target were collected. We have performed a search for charged current coherent pion production by using SciBooNE's full neutrino data set, corresponding to 0.99 x 1020 protons on target. No evidence for coherent pion production is observed. We set 90% confidence level upper limits on the cross section ratio

  18. Electrochemical Charging of Individual Single-Walled Carbon Nanotubes

    Czech Academy of Sciences Publication Activity Database

    Kalbáč, Martin; Farhat, H.; Kavan, Ladislav; Kong, J.; Sasaki, K.; Saito, R.; Dresselhaus, M. S.

    2009-01-01

    Roč. 3, č. 8 (2009), s. 2320-2328 ISSN 1936-0851 R&D Projects: GA ČR GC203/07/J067; GA AV ČR IAA400400804; GA AV ČR IAA400400911; GA AV ČR KAN200100801; GA MŠk ME09060 Institutional research plan: CEZ:AV0Z40400503 Keywords : single-walled carbon nanotubes * Raman spectroscopy * electrochemical gating * spectroelectrochemistry Subject RIV: CG - Electrochemistry Impact factor: 7.493, year: 2009

  19. Large Silver Halide Single Crystals as Charged Particle Track Detectors

    Science.gov (United States)

    Kusmiss, J. H.

    1972-01-01

    The trajectory of the particle is made visible under a microscope by the accumulation of metallic silver at regions of the lattice damaged by the particle. This decoration of the particle track is accomplished by exposure of the crystal to light. The decoration of normally present lattice imperfections such as dislocations can be suppressed by the addition to the crystal of less than ten parts per million of a suitable polyvalent metal impurity. An account of some preliminary attempts to grow thin single crystals of AgCl is given also, and suggestions for a more refined technique are offered.

  20. Promising Strategy To Improve Charge Separation in Organic Photovoltaics : Installing Permanent Dipoles in PCBM Analogues

    NARCIS (Netherlands)

    de Gier, Hilde D.; Jahani, Fatemeh; Broer, Ria; Hummelen, Jan C.; Havenith, Remco W. A.

    2016-01-01

    A multidisciplinary approach involving organic synthesis and theoretical chemistry was applied to investigate a promising strategy to improve charge separation in organic photovoltaics: installing permanent dipoles in fullerene derivatives. First, a PCBM analogue with a permanent dipole in the side

  1. Regulating charge injection in ambipolar organic field-effect transistors by mixed self-assembled monolayers.

    Science.gov (United States)

    Xu, Yong; Baeg, Kang-Jun; Park, Won-Tae; Cho, Ara; Choi, Eun-Young; Noh, Yong-Young

    2014-08-27

    We report on a technique using mixed self-assembled monolayers (SAMs) to finely regulate ambipolar charge injection in polymer organic field-effect transistors. Differing from the other works that employ single SAM specifically for efficient charge injection in p-type and n-type transistors, we blend two different SAMs of alkyl- and perfluoroalkyl thiols at different ratios and apply them to ambipolar OFETs and inverter. Thanks to the utilization of ambipolar semiconductor and one SAM mixture, the device and circuit fabrications are facile with only one step for semiconductor deposition and another for SAM treatment. This is much simpler with respect to the conventional scheme for the unipolar-device-based complementary circuitry that demands separate deposition and processing for individual p-channel and n-channel transistors. Our results show that the mixed-SAM treatments not only improve ambipolar charge injection manifesting as higher hole- and electron-mobility and smaller threshold voltage but also gradually tune the device characteristics to reach a desired condition for circuit application. Therefore, this simple but useful approach is promising for ambipolar electronics.

  2. Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun Suk [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Arias, Dylan H [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Blackburn, Jeffrey L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Sisto, Thomas J. [Columbia University; Peurifoy, Samuel [Columbia University; Zhang, Boyuan [Columbia University; Nuckolls, Colin [Columbia University

    2018-04-13

    Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstrate that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. Detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.

  3. Chiral separation of tedizolid using charge single isomer derivatives of cyclodextrins by capillary electrokinetic chromatography.

    Science.gov (United States)

    Michalska, Katarzyna; Gruba, Ewa; Cielecka-Piontek, Judyta; Bednarek, Elżbieta

    2016-02-20

    A method to enantioseparate tedizolid (TED), the second analogue after linezolid (LIN) in a truly new class of antibacterial agents, the oxazolidinones, was developed based on capillary electrokinetic chromatography using cyclodextrin as chiral pseudophase (CD-cEKC). The single isomer R-tedizolid possesses one chiral centre at C5 of the oxazolidinone ring, which is associated with the antibacterial activity of the drug. Tedizolid enantiomers are non-charged and therefore require the use of charged cyclodextrins (CCDs) as carrier hosts to achieve a velocity difference during migration. During method development, hydrophilic anionic single-isomer and moderately hydrophobic and hydrophobic cyclodextrins were tested, including heptakis-(2,3-dihydroxy-6-sulfo)-β-cyclodextrin (HS-β-CD), heptakis-(2,3-diacetyl-6-sulfo)-β-cyclodextrin (HDAS-β-CD), oktakis-(2,3-diacetyl-6-sulfo)-γ-cyclodextrin (ODAS-γ-CD) and heptakis-(2,3-dimethyl-6-sulfo)-β-cyclodextrin (HDMS-β-CD). Only CDs that have acetyl groups at the C2 and C3 positions with seven (HDAS-β-CD) or eight (ODAS-γ-CD) residues of glucopyranose units provided baseline separation of the tedizolid enantiomers with the addition of organic solvent. During the experiments, different organic solvents were tested, such as methanol, acetonitrile, tetrahydrofuran, which varied in their abilities to donate or accept protons. The best enantiomer separation results were obtained using the CD-cEKC method with 37.5mM HDAS-β-CD dissolved in 50mM formic buffer (pH 4.0) with the addition of acetonitrile (81.4:18.6, v/v) at 27ºC, normal polarity, and 12kV. Finally, the apparent binding constants for each enantiomer-HDAS-β-CD pair were calculated. Moreover, in order to evaluate the behaviour of TED and LIN enantiomers relative to chiral selector, enantioselective interactions towards the precursors of TED and LIN isomers were also investigated. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Device physics of single layer organic light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Crone, B.K.; Campbell, I.H.; Davids, P.S.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Neef, C.J.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75080 (United States)

    1999-11-01

    We present experimental and device model results for electron only, hole only, and bipolar organic light-emitting diodes fabricated using a soluble poly ({ital p}-phenylene vinylene) based polymer. Current{endash}voltage (I{endash}V) characteristics were measured for a series of electron only devices in which the polymer thickness was varied. The I{endash}V curves were described using a device model from which the electron mobility parameters were extracted. Similarly, the hole mobility parameters were extracted using a device model description of I{endash}V characteristics for a series of hole only devices where the barrier to hole injection was varied by appropriate choices of hole injecting electrode. The electron and hole mobilities extracted from the single carrier devices are then used, without additional adjustable parameters, to describe the measured current{endash}voltage characteristics of a series of bipolar devices where both the device thickness and contacts were varied. The model successfully describes the I{endash}V characteristics of single carrier and bipolar devices as a function of polymer thickness and for structures that are contact limited, space charge limited, and for cases in between. We find qualitative agreement between the device model and measured external luminance for a thickness series of devices. We investigate the sensitivity of the device model calculations to the magnitude of the bimolecular recombination rate prefactor. {copyright} {ital 1999 American Institute of Physics.}

  5. Charge injection and transport properties of an organic light-emitting diode

    Directory of Open Access Journals (Sweden)

    Peter Juhasz

    2016-01-01

    Full Text Available 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.

  6. Unbiased, complete solar charging of a neutral flow battery by a single Si photocathode

    DEFF Research Database (Denmark)

    Wedege, Kristina; Bae, Dowon; Dražević, Emil

    2018-01-01

    Solar redox flow batteries have attracted attention as a possible integrated technology for simultaneous conversion and storage of solar energy. In this work, we review current efforts to design aqueous solar flow batteries in terms of battery electrolyte capacity, solar conversion efficiency...... and depth of solar charge. From a materials cost and design perspective, a simple, cost-efficient, aqueous solar redox flow battery will most likely incorporate only one semiconductor, and we demonstrate here a system where a single photocathode is accurately matched to the redox couples to allow...... for a complete solar charge. The single TiO2 protected Si photocathode with a catalytic Pt layer can fully solar charge a neutral TEMPO-sulfate/ferricyanide battery with a cell voltage of 0.35 V. An unbiased solar conversion efficiency of 1.6% is obtained and this system represents a new strategy in solar RFBs...

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

    DEFF Research Database (Denmark)

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

    The Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem (SSFCMCTP) is a problem with versatile applications. This problem is a generalization of the Single-Sink, Fixed-Charge Transportation Problem (SSFCTP), which has a fixed-charge, linear cost structure. However, in at least two...... are neglected in the SSFCTP. The SSFCMCTP overcome this problem by incorporating a staircase cost structure in the cost function instead of the usual one used in SSFCTP. We present a dynamic programming algorithm for the resulting problem. To enhance the performance of the generic algorithm a number...... of enhancements is employed. The problem instance is reduced by variable pegging using a Lagrangean relaxation from which also a flow augmentation scheme is derived. Additionally a reduction in the search space is employed along with a variable transformation which generalizes a transformation known from...

  8. Charge transport and light emission in bilayer organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Li Weicong; Kwok, H.L., E-mail: hlkwok@ece.uvic.ca

    2012-02-29

    Recently there has been some major interest in the charge transport and light emission properties of organic field-effect transistors (OFETs). Different device structures have been proposed and they can be divided into two broad categories consisting of either a single layer or a bilayer. In the case of the single-layer OFETs, efficient light emission has not been observed while the performance of the bilayer OFETs appear to be more promising (for instance: recent work on a bilayer OFET has shown distinct ambipolar characteristics as well as limited light emission). In this work, we examined the electroluminescence intensities of bilayer OFETs reported in the open literature and attempted to identify the transport and recombination mechanisms. As observed, light emission in these devices appeared to be linked to a narrow region at the interface acting as a light-emitting source. To understand the recombination mechanisms, we computed the spatial charge distributions under various biasing conditions and correlated the results to the reported electroluminescence intensity data. Our overall results re-affirmed the significance of the light-emitting interface layer and the fact that device operation critically depended on the alignment of the energy levels at the respective interface. - Highlights: Black-Right-Pointing-Pointer Data taken from a reported bilayer OFET had been analyzed. Black-Right-Pointing-Pointer Transport and light emission mechanisms were used explain the device operation. Black-Right-Pointing-Pointer Light emission was found to depend on the charge distribution under bias. Black-Right-Pointing-Pointer We highlighted the opportunities to improve the device performance.

  9. Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient

    NARCIS (Netherlands)

    Dhont, J.K.G.; Briels, Willem J.

    2008-01-01

    The double-layer contribution to the single-particle thermal diffusion coefficient of charged, spherical colloids with arbitrary double-layer thickness is calculated and compared to experiments. The calculation is based on an extension of the Debye-Hückel theory for the double-layer structure that

  10. Observation of Frenkel and charge transfer excitons in pentacene single crystals using spectroscopic generalized ellipsometry

    NARCIS (Netherlands)

    Qi, Dongchen; Su, Haibin; Bastjan, M.; Jurchescu, O. D.; Palstra, T. M.; Wee, Andrew T. S.; Ruebhausen, M.; Rusydi, A.; Rübhausen, M.

    2013-01-01

    We report on the emerging and admixture of Frenkel and charge transfer (CT) excitons near the absorption onset in pentacene single crystals. Using high energy-resolution spectroscopic generalized ellipsometry with in-plane polarization dependence, the excitonic nature of three lowest lying

  11. Observation and applications of single-electron charge signals in the XENON100 experiment

    NARCIS (Netherlands)

    Aprile, E.; et al., [Unknown; Alfonsi, M.; Colijn, A.P.; Decowski, M.P.

    2014-01-01

    The XENON100 dark matter experiment uses liquid xenon in a time projection chamber (TPC) to measure xenon nuclear recoils resulting from the scattering of dark matter weakly interacting massive particles (WIMPs). In this paper, we report the observation of single-electron charge signals which are

  12. Effect of positively charged particles on sputtering damage of organic electro-luminescent diodes with Mg:Ag alloy electrodes fabricated by facing target sputtering

    Directory of Open Access Journals (Sweden)

    Kouji Suemori

    2017-04-01

    Full Text Available We investigated the influence of the positively charged particles generated during sputtering on the performances of organic light-emitting diodes (OLEDs with Mg:Ag alloy electrodes fabricated by sputtering. The number of positively charged particles increased by several orders of magnitude when the target current was increased from 0.1 A to 2.5 A. When a high target current was used, many positively charged particles with energies higher than the bond energy of single C–C bonds, which are typically found in organic molecules, were generated. In this situation, we observed serious OLED performance degradation. On the other hand, when a low target current was used, OLED performance degradation was not observed when the number of positively charged particles colliding with the organic underlayer increased. We concluded that sputtering damage caused by positively charged particles can be avoided by using a low target current.

  13. Modeling charge transfer at organic donor-acceptor semiconductor interfaces

    NARCIS (Netherlands)

    Cakir, Deniz; Bokdam, Menno; de Jong, Machiel Pieter; Fahlman, M.; Brocks, G.

    2012-01-01

    We develop an integer charge transfer model for the potential steps observed at interfaces between donor and acceptor molecular semiconductors. The potential step can be expressed as the difference between the Fermi energy pinning levels of electrons on the acceptor material and holes on the donor

  14. Modulation and Control of Charge Transport Through Single-Molecule Junctions.

    Science.gov (United States)

    Wang, Kun; Xu, Bingqian

    2017-02-01

    The ability to modulate and control charge transport though single-molecule junction devices is crucial to achieving the ultimate goal of molecular electronics: constructing real-world-applicable electronic components from single molecules. This review aims to highlight the progress made in single-molecule electronics, emphasizing the development of molecular junction electronics in recent years. Among many techniques that attempt to wire a molecule to metallic electrodes, the single-molecule break junction (SMBJ) technique is one of the most reliable and tunable experimental platforms for achieving metal-molecule-metal configurations. It also provides great freedom to tune charge transport through the junction. Soon after the SMBJ technique was introduced, it was extensively used to measure the conductances of individual molecules; however, different conductances were obtained for the same molecule, and it proved difficult to interpret this wide distribution of experimental data. This phenomenon was later found to be mainly due to a lack of precise experimental control and advanced data analysis methods. In recent years, researchers have directed considerable effort into advancing the SMBJ technique by gaining a deeper physical understanding of charge transport through single molecules and thus enhancing its potential applicability in functional molecular-scale electronic devices, such as molecular diodes and molecular transistors. In parallel with that research, novel data analysis methods and approaches that enable the discovery of hidden yet important features in the data are being developed. This review discusses various aspects of molecular junction electronics, from the initial goal of molecular electronics, the development of experimental techniques for creating single-molecule junctions and determining single-molecule conductance, to the characterization of functional current-voltage features and the investigation of physical properties other than charge

  15. Establishing a microscopic model for nonfullerene organic solar cells: Self-accumulation effect of charges

    OpenAIRE

    Yao, Yao

    2018-01-01

    A one-dimensional many-body model is established to mimic the charge distribution and dynamics in nonfullerene organic solar cells. Two essential issues are taken into account in the model: The alternating donor and acceptor structure and the local imbalance of electron and hole densities. The alternating structure is beneficial for the direct generation of charge transfer state which enhances the local imbalance of charges. The most remarkable outcome of the model is that, due to the strong ...

  16. An instrument for charge measurement due to a single collision between two spherical particles.

    Science.gov (United States)

    Xie, L; Bao, N; Jiang, Y; Han, K; Zhou, J

    2016-01-01

    It universally exists in moving particular systems that particles can be electrified, in which the particles are chemically identical, just as toner particles, coal dust, and pharmaceutical powders. However, owing to the limit of experimental instruments, so far, there are yet no experiments to illustrate whether a particle can be electrified due to a single collision between two spherical particles, and there are also no experiments to measure the charge carried by a single particle due to a single collision between two particles. So we have developed an instrument for charge measurement due to a single collision between two spheres. The instrument consists of two-sphere collision device, collision charge measurement apparatus, and particles' trajectory tracking system. By using this instrument, we can investigate the collision contact electrification due to a single collision between two spheres and simultaneously record the moving trajectories of spheres after the collision to calculate the rebound angles to identify the contribution of the triboelectrification due to the rubbing between the contact surfaces and the collision contact electrification due to the normal pressure between the contact surfaces.

  17. Calculations of Q values in single- and double-charge-transfer collisions of highly charged ions with atoms

    International Nuclear Information System (INIS)

    Chen, Z.; Lin, C.D.; Toshima, N.

    1994-01-01

    Close-coupling calculations are carried out for the Q values for electron capture processes in collisions of multiply charged ions with atoms over a broad range of energies. For single-capture processes the results for N 7+ +He and O 8+ +He collisions are in good agreement with the experimental data of Wu et al. [preceding paper, Phys. Rev. A 50, 502 (1994)]. To compare with the experimental Q values for the transfer ionization (TI) and the true double-capture (TDC) processes, an independent-electron model was used to calculate double-electron-capture cross sections. By combining with the calculated average fluorescence yields, the theoretical Q values for TI and TDC processes are also found to be in fair agreement with the experimental data. We also compared the Q values calculated by the close-coupling method and by the classical-trajectory Monte Carlo method

  18. Channeling and electromagnetic radiation of relativistic charged particles in metal-organic frameworks

    Science.gov (United States)

    Zhevago, N. K.; Glebov, V. I.

    2017-06-01

    We have developed the theory of electromagnetic interaction of relativistic charged particles with metal-organic frameworks (MOFs). The electrostatic potential and electron number density distribution in MOFs were calculated using the most accurate data for the atomic form factors. Peculiarities of axial channeling of fast charged particles and various types of electromagnetic radiation from relativistic particles has been discussed.

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

    DEFF Research Database (Denmark)

    Klose, Andreas

    2006-01-01

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

  20. The influence of microstructure on charge separation dynamics in organic bulk heterojunction materials for solar cell applications

    KAUST Repository

    Scarongella, Mariateresa

    2014-01-01

    Light-induced charge formation is essential for the generation of photocurrent in organic solar cells. In order to gain a better understanding of this complex process, we have investigated the femtosecond dynamics of charge separation upon selective excitation of either the fullerene or the polymer in different bulk heterojunction blends with well-characterized microstructure. Blends of the pBTTT and PBDTTPD polymers with PCBM gave us access to three different scenarios: either a single intermixed phase, an intermixed phase with additional pure PCBM clusters, or a three-phase microstructure of pure polymer aggregates, pure fullerene clusters and intermixed regions. We found that ultrafast charge separation (by electron or hole transfer) occurs predominantly in intermixed regions, while charges are generated more slowly from excitons in pure domains that require diffusion to a charge generation site. The pure domains are helpful to prevent geminate charge recombination, but they must be sufficiently small not to become exciton traps. By varying the polymer packing, backbone planarity and chain length, we have shown that exciton diffusion out of small polymer aggregates in the highly efficient PBDTTPD:PCBM blend occurs within the same chain and is helped by delocalization. This journal is © the Partner Organisations 2014.

  1. Proton surface charge determination in Spodosol horizons with organically bound aluminum

    Science.gov (United States)

    Skyllberg, Ulf; Borggaard, Ole K.

    1998-05-01

    Net proton surface charge densities were determined in O, E, Bh, and Bs horizons of a sandy till, Spodosol from Denmark, by means of acid-base titration combined with ion adsorption in 0.005 M Ca(NO 3) 2 and independent permanent charge determination. The release of organic anions exceeded the adsorption of NO 3-, resulting in a desorption of anions in all horizons. Data were found to obey the law of balance between surface charges and adsorbed ions only when charges pertaining to Al and organic anions released during the titration experiments were accounted for, in addition to charges pertaining the potential determining ions (PDI) H + and OH - and the index ions Ca 2+ and NO 3-. It was furthermore shown that the point of zero net proton charge (PZNPC) in soils highly depends on the concentration of organically bound Al. Approaches previously used in soils, in which adsorbed Al n+ has been ignored (i.e., considered equivalent to nH + as a PDI), resulted in a PZNPC of 4.1 in the Bs horizon. If instead organically bound Al was accounted for as a counter-ion similar to 3/2Ca 2+, a PZNPC of 2.9 was obtained for the same Bs horizon. Based on PZNPC values estimated by the latter approach, combined with a weak-acid analog, it was shown that organic proton surface charges buffered pH with a similar intensity in the O, E, Bh, and Bs horizons of this study. Because the acidity of Al adsorbed to conjugate bases of soil organic acids is substantially weaker than the acidity of the corresponding protonated form of the organic acids, the point of zero net proton charge (PZNPC) will increase if the concentration of organically adsorbed Al increases at the expense of adsorbed H. This means that PZNPC values determined for soils with unknown concentrations of organically adsorbed Al are highly operational and not very meaningful as references.

  2. Charge calculation studies done on a single walled carbon nanotube using MOPAC

    Science.gov (United States)

    Negi, S.; Bhartiya, Vivek Kumar; Chaturvedi, S.

    2018-04-01

    Dipole symmetry of induced charges on DWNTs are required for their application as a nanomotor. Earlier a molecular dynamics analysis was performed for a double-walled carbon-nanotube based motor driven by an externally applied sinusoidally varying electric field. One of the ways to get such a system is chemical or end functionalization, which promises to accomplish this specific and rare configuration of the induced charges on the surface of the carbon nanotube (CNT). CNTs are also a promising system for attaching biomolecules for bio-related applications. In an earlier work, ab initio calculations were done to study the electronic and structural properties of the groups -COOH, -OH, -NH2 and -CONH2 functionalized to an (8, 0) SWNT. The systems were shown to have a very stable interaction with the CNTs. The exterior surface of the SWNT is found to be reactive to NH2 (amidogen). In this work, charge calculations are done on a CNT using MOPAC, which is a semi empirical quantum chemistry software package. As a first step, we calculate the effect of NH2 functionalization to a (5,0) SWNT of infinite length. The symmetric charge distribution of the bare SWNT is observed to be disturbed on addition of a single NH2 in the close proximity of the SWNT. A net positive and opposite charge is observed to be induced on the opposite sides of the nanotube circumference, which is, in turn, imperative for the nanomotor applications. The minimum and maximum value of the charge on any atom is observed to increase from - 0.3 to 0.6 and from - 0.3 to - 1.8 electronic charge as compared to the bare SWNT. This fluctuation of the surface charge to larger values than bare CNT, can be attributed to the coulomb repulsion between NH2 and the rest of the charge on the surface which results into minimizing the total energy of the system. No such opposite polarity of charges are observed on adding NH2 to each ring of the SWNT implying addition of a single amidogen to be the most appropriate

  3. Spectroscopy of Charge Carriers and Traps in Field-Doped Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang; Frisbie, C Daniel

    2012-08-13

    This research project aims to achieve quantitative and molecular level understanding of charge carriers and traps in field-doped organic semiconductors via in situ optical absorption spectroscopy, in conjunction with time-resolved electrical measurements. During the funding period, we have made major progress in three general areas: (1) probed charge injection at the interface between a polymeric semiconductor and a polymer electrolyte dielectric and developed a thermodynamic model to quantitatively describe the transition from electrostatic to electrochemical doping; (2) developed vibrational Stark effect to probe electric field at buried organic semiconductor interfaces; (3) used displacement current measurement (DCM) to study charge transport at organic/dielectric interfaces and charge injection at metal/organic interfaces.

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

    Energy Technology Data Exchange (ETDEWEB)

    Secker, Daniel

    2008-06-03

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

  5. Charge carrier transport in polycrystalline organic thin film based field effect transistors

    Science.gov (United States)

    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.

  6. Charge-odd and single-spin effects in two pion production in ep bar collisions

    International Nuclear Information System (INIS)

    Galynskij, M.V.; Kuraev, E.A.; Shajkhatdenov, B.G.; Ratcliffe, P.G.

    2000-01-01

    We consider two-photon and Bremsstrahlung mechanisms for the production of two charged pions in high-energy electron (proton) scattering off a transversely polarised proton. Interference between the relevant amplitudes generates a charge-odd contribution to the cross section for the process. In a kinematics with a jet moving along electron spin-independent part may be used for determination of phase differences for pion-pion scattering in the states with orbital momentum 0 or 2 and 1 whereas in a kinematics with a jet moving along proton spin-dependent part may be used to explain the experimental data for single-spin correlations in the production of negatively charged pions. We also discuss the backgrounds and estimate the accuracy of the results at less than 10% level. In addition simplified formulae derived for specific kinematics, with small total transverse pion momentum, are given

  7. Investigation of charge multiplication in single crystalline CVD diamond particle detectors

    Energy Technology Data Exchange (ETDEWEB)

    Muškinja, M.; Cindro, V.; Gorišek, A. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Kagan, H. [Department of Physics, Ohio State University (United States); Kramberger, G., E-mail: Gregor.Kramberger@ijs.si [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Mandić, I. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Mikuž, M. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Faculty of Physics and Mathematics, University of Ljubljana (Slovenia); Phan, S.; Smith, D.S. [Department of Physics, Ohio State University (United States); Zavrtanik, M. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia)

    2017-01-01

    A special metallization pattern was created on a single crystalline diamond detector aimed at creating high enough electric field for impact ionization in the detector material. Electric field line focusing through electrode design and very high bias voltages were used to obtain high electric fields. Previous measurements and theoretical calculations indicated that drifting charge multiplication by impact ionization could take place. A large increase of induced charge was observed for the smallest dot electrode which points to charge multiplication while for the large dot and pad detector structure no such effect was observed. The evolution of induced currents was also monitored with the transient current technique. Induced current pulses with duration of order 1 μs were measured. The multiplication gain was found to depend on the particle rate.

  8. Development and a Validation of a Charge Sensitive Organic Rankine Cycle (ORC Simulation Tool

    Directory of Open Access Journals (Sweden)

    Davide Ziviani

    2016-05-01

    Full Text Available Despite the increasing interest in organic Rankine cycle (ORC systems and the large number of cycle models proposed in the literature, charge-based ORC models are still almost absent. In this paper, a detailed overall ORC simulation model is presented based on two solution strategies: condenser subcooling and total working fluid charge of the system. The latter allows the subcooling level to be predicted rather than specified as an input. The overall cycle model is composed of independent models for pump, expander, line sets, liquid receiver and heat exchangers. Empirical and semi-empirical models are adopted for the pump and expander, respectively. A generalized steady-state moving boundary method is used to model the heat exchangers. The line sets and liquid receiver are used to better estimate the total charge of the system and pressure drops. Finally, the individual components are connected to form a cycle model in an object-oriented fashion. The solution algorithm includes a preconditioner to guess reasonable values for the evaporating and condensing temperatures and a main cycle solver loop which drives to zero a set of residuals to ensure the convergence of the solution. The model has been developed in the Python programming language. A thorough validation is then carried out against experimental data obtained from two test setups having different nominal size, working fluids and individual components: (i a regenerative ORC with a 5 kW scroll expander and an oil flooding loop; (ii a regenerative ORC with a 11 kW single-screw expander. The computer code is made available through open-source dissemination.

  9. Laser-induced charge separation in organic nanofibers

    DEFF Research Database (Denmark)

    Tavares, Luciana; Behn, Dino; Kjelstrup-Hansen, Jakob

    -assemble into crystalline nanofibers by vapor deposition onto muscovite mica substrates, and we have recently shown that such nanofibers can be transferred to different substrates by roll-printing and used as the active material in e.g. organic field-effect transistors (OFETs), organic light-emitting transistors (OLETs...

  10. Intact Four-atom Organic Tetracation Stabilized by Charge Localization in the Gas Phase.

    Science.gov (United States)

    Yatsuhashi, Tomoyuki; Toyota, Kazuo; Mitsubayashi, Naoya; Kozaki, Masatoshi; Okada, Keiji; Nakashima, Nobuaki

    2016-10-05

    Several features distinguish intact multiply charged molecular cations (MMCs) from other species such as monocations and polycations: high potential energy, high electron affinity, a high density of electronic states with various spin multiplicities, and charge-dependent reactions. However, repulsive Coulombic interactions make MMCs quite unstable, and hence small organic MMCs are currently not readily available. Herein, we report that the isolated four-atom molecule diiodoacetylene survives after the removal of four electrons via tunneling. We show that the tetracation remains metastable towards dissociation because of the localization (91-95 %) of the positive charges on the terminal iodine atoms, ensuring minimum Coulomb repulsion between adjacent atoms as well as maximum charge-induced attractive dipole interactions between iodine and carbon. Our approach making use of iodines as the positively charged sites enables small organic MMCs to remain intact. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Metal nanoparticle mediated space charge and its optical control in an organic hole-only device

    International Nuclear Information System (INIS)

    Ligorio, G.; Nardi, M. V.; Steyrleuthner, R.; Neher, D.; Ihiawakrim, D.; Crespo-Monteiro, N.; Brinkmann, M.; Koch, N.

    2016-01-01

    We reveal the role of localized space charges in hole-only devices based on an organic semiconductor with embedded metal nanoparticles (MNPs). MNPs act as deep traps for holes and reduce the current density compared to a device without MNPs by a factor of 10 4 due to the build-up of localized space charge. Dynamic MNPs charged neutrality can be realized during operation by electron transfer from excitons created in the organic matrix, enabling light sensing independent of device bias. In contrast to the previous speculations, electrical bistability in such devices was not observed.

  12. Metal nanoparticle mediated space charge and its optical control in an organic hole-only device

    OpenAIRE

    Ligorio, G.; Nardi, M. V.; Steyrleuthner, Robert; Ihiawakrim, D.; Crespo-Monteiro, N.; Brinkmann, M.; Neher, D.; Koch, N.

    2017-01-01

    We reveal the role of localized space charges in hole-only devices based on an organic semiconductor with embedded metal nanoparticles (MNPs). MNPs act as deep traps for holes and reduce the current density compared to a device without MNPs by a factor of 104 due to the build-up of localized space charge. Dynamic MNPs charged neutrality can be realized during operation by electron transfer from excitons created in the organic matrix, enabling light sensing independent of device bias. In contr...

  13. Metal nanoparticle mediated space charge and its optical control in an organic hole-only device

    Energy Technology Data Exchange (ETDEWEB)

    Ligorio, G.; Nardi, M. V. [Institut für Physik & IRIS Adlershof, Humboldt-Universität zu Berlin, Brook-Taylor Str. 6, 12489 Berlin (Germany); Steyrleuthner, R.; Neher, D. [Institute of Physics and Astronomy, Universität Potsdam, Karl-Liebknecht Str. 24, 14476 Potsdam (Germany); Ihiawakrim, D. [Institut de Physique et de Chimie des Matériaux de Strasbourg, Université de Strasbourg, CNRS UMR 7504, 23 rue du Loess, BP 43, 67034 Strasbourg, Cedex2 (France); Crespo-Monteiro, N.; Brinkmann, M. [Institut Charles Sadron CNRS, 23 rue du Loess, 67034 Strasbourg (France); Koch, N., E-mail: norbert.koch@physik.hu-berlin.de [Institut für Physik & IRIS Adlershof, Humboldt-Universität zu Berlin, Brook-Taylor Str. 6, 12489 Berlin (Germany); Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Erneuerbare Energien, Albert-Einstein Str. 15, 12489 Berlin (Germany)

    2016-04-11

    We reveal the role of localized space charges in hole-only devices based on an organic semiconductor with embedded metal nanoparticles (MNPs). MNPs act as deep traps for holes and reduce the current density compared to a device without MNPs by a factor of 10{sup 4} due to the build-up of localized space charge. Dynamic MNPs charged neutrality can be realized during operation by electron transfer from excitons created in the organic matrix, enabling light sensing independent of device bias. In contrast to the previous speculations, electrical bistability in such devices was not observed.

  14. Charge ordering in low dimensional organic conductors: Structural aspects

    Energy Technology Data Exchange (ETDEWEB)

    Pouget, Jean-Paul; Foury-Leylekian, Pascale [Laboratoire de Physique des Solides, Universite Paris-sud, CNRS UMR 8502, Batiment 510, 91405 Orsay Cedex (France); Alemany, Pere [Departament de Quimica Fisica and Institut de Quimica Teorica i Computacional (IQTCUB), Universitat de Barcelona, Diagonal 627, 08028 Barcelona (Spain); Canadell, Enric [Institut de Ciencia de Materials de Barcelona, CSIC, Campus UAB, 08193 Bellaterra (Spain)

    2012-05-15

    The paper points out the importance of the coupling between anions and donors in order to achieve the 4k{sub F} charge localization observed in (TMTTF){sub 2}PF{sub 6}, {delta}-(EDT-TTF-CONMe{sub 2}){sub 2}Br and (o-DMTTF){sub 2}Cl/Br salts, the 2k{sub F} charge density wave (CDW) ground state of {alpha}-(BEDT-TTF){sub 2}KHg(SCN){sub 4} and the metal to insulator transition of {alpha}-(BEDT-TTF){sub 2}I{sub 3}. This coupling leads to a cooperative displacement wave of the anions accompanied by a modulation of the density of {pi} holes on the donors. We distinguish two principal anion-donor coupling mechanisms: a direct mechanism via the Hartree anion potential on donor sites and an indirect mechanism via the polarization of {sigma} bonds activated by the modification of the H bonds network. Both kinds of interaction are tuned by the relative displacement of the anions with respect to the donors. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Theoretical tools for the description of charge transport in disordered organic semiconductors.

    Science.gov (United States)

    Nenashev, A V; Oelerich, J O; Baranovskii, S D

    2015-03-11

    Hopping conduction is widely considered the dominant charge transport mechanism in disordered organic semiconductors. Although theories of hopping transport have been developed in detail for applications to inorganic amorphous materials, these theories are often out of scope for the community working with organic amorphous systems. Theoretical research on charge transport in organic systems is overwhelmed by phenomenological fittings of numerical results by equations, which often make little physical sense. The aim of the current review is to bring analytical theoretical methods to the attention of the community working with disordered organic semiconductors.

  16. Surface structure modification of single crystal graphite after slow, highly charged ion irradiation

    Science.gov (United States)

    Alzaher, I.; Akcöltekin, S.; Ban-d'Etat, B.; Manil, B.; Dey, K. R.; Been, T.; Boduch, P.; Rothard, H.; Schleberger, M.; Lebius, H.

    2018-04-01

    Single crystal graphite was irradiated by slow, highly charged ions. The modification of the surface structure was studied by means of Low-Energy Electron Diffraction. The observed damage cross section increases with the potential energy, i.e. the charge state of the incident ion, at a constant kinetic energy. The potential energy is more efficient for the damage production than the kinetic energy by more than a factor of twenty. Comparison with earlier results hints to a strong link between early electron creation and later target atom rearrangement. With increasing ion fluence, the initially large-scale single crystal is first transformed into μ m-sized crystals, before complete amorphisation takes place.

  17. Transmission of Fast Highly Charged Ions through a Single Glass Macrocapillary and Polycarbonate Nanocapillary Foils

    Science.gov (United States)

    Ayyad, A. M.; Dassanayake, B. S.; Keerthisinghe, D.; DeSilva, G. G.; Elkafrawy, T.; Kayani, N.; Tanis, J. A.

    2012-11-01

    Transmission of 3 MeV protons and 16 MeV O5+ ions through a single glass macrocapillary and a polycarbonate nanocapillary foil has been investigated. Results show that 3 MeV protons transmit through the capillary and the foils with little or no energy loss, while 16 MeV O5+ ions show transmission through the capillary and the foil with energy losses that vary with the tilt angle, and there are also changes in the charge state.

  18. Microphysical Properties of Single Secondary Organic Aerosol (SOA) Particles

    Science.gov (United States)

    Rovelli, Grazia; Song, Young-Chul; Pereira, Kelly; Hamilton, Jacqueline; Topping, David; Reid, Jonathan

    2017-04-01

    Secondary Organic Aerosols (SOA) deriving from the oxidation of volatile organic compounds (VOCs) can account for a substantial fraction of the overall atmospheric aerosol mass.[1] Therefore, the investigation of SOA microphysical properties is crucial to better comprehend their role in the atmospheric processes they are involved in. This works describes a single particle approach to accurately characterise the hygroscopic response, the optical properties and the gas-particle partitioning kinetics of water and semivolatile components for laboratory generated SOA. SOA was generated from the oxidation of different VOCs precursors (e.g. α-pinene, toluene) in a photo-chemical flow reactor, which consists of a temperature and relative humidity controlled 300 L polyvinyl fluoride bag. Known VOC, NOx and ozone concentrations are introduced in the chamber and UV irradiation is performed by means of a Hg pen-ray. SOA samples were collected with an electrical low pressure impactor, wrapped in aluminium foil and kept refrigerated at -20°C. SOA samples were extracted in a 1:1 water/methanol mixture. Single charged SOA particles were generated from the obtained solution using a microdispenser and confined within an electrodynamic balance (EDB), where they sit in a T (250-320 K) and RH (0-95%) controlled nitrogen flow. Suspended droplets are irradiated with a 532 nm laser and the evolving angularly resolved scattered light is used to keep track of changes in droplet size. One of the key features of this experimental approach is that very little SOA solution is required because of the small volumes needed to load the dispensers (evaporation kinetics experiments (CK-EDB) of suspended probe and sample droplets.[2] The variation of the refractive index of SOA droplets following to water or SVOCs evaporative loss was measured as a function of water activity by fitting the collected light scattering patterns with a generated Mie-Theory library of phase functions.[3] Long trapping

  19. Quantum tunnelling and charge accumulation in organic ferroelectric memory diodes

    NARCIS (Netherlands)

    Ghittorelli, M.; Lenz, Thomas; Dehsari, H.S.; Zhao (赵冬), Dong; Asadi, Kamal; Blom, Paul W.M.; Kovács-Vajna, Z. M.; de Leeuw, D.M.; Torricelli, F.

    2017-01-01

    Non-volatile memories—providing the information storage functionality—are crucial circuit components. Solution-processed organic ferroelectric memory diodes are the non-volatile memory candidate for flexible electronics, as witnessed by the industrial demonstration of a 1 kbit reconfigurable memory

  20. Laser-induced charge separation in organic nanofibers

    DEFF Research Database (Denmark)

    Tavares, Luciana; Behn, Dino; Kjelstrup-Hansen, Jakob

    Organic semiconductors have unique properties that can be tailored via synthetic chemistry for specific applications, which combined with their low price and straight-forward processing over large areas make them interesting materials for future devices. Certain oligomers can self-assemble into c...

  1. Local states in organic materials: Charge transport and localization

    Czech Academy of Sciences Publication Activity Database

    Sworakowski, J.; Janus, K.; Nešpůrek, Stanislav; Vala, M.

    2006-01-01

    Roč. 13, č. 5 (2006), s. 1001-1015 ISSN 1070-9878 R&D Projects: GA MŠk OC 138 Institutional research plan: CEZ:AV0Z40500505 Keywords : organic compounds * polymer * plastics Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.771, year: 2006

  2. Gate-bias assisted charge injection in organic field-effect transistors

    NARCIS (Netherlands)

    Brondijk, J. J.; Torricelli, F.; Smits, E. C. P.; Blom, P. W. M.; de Leeuw, D. M.

    The charge injection barriers in organic field-effect transistors (OFETs) seem to be far less critical as compared to organic light-emitting diodes (OLEDs). Counter intuitively, we show that the origin is image-force lowering of the barrier due to the gate bias at the source contact, although the

  3. Gate-bias assisted charge injection in organic field-effect transistors

    NARCIS (Netherlands)

    Brondijk, J.J.; Torricelli, F.; Smits, E.C.P.; Blom, P.W.M.; Leeuw, D.M. de

    2012-01-01

    The charge injection barriers in organic field-effect transistors (OFETs) seem to be far less critical as compared to organic light-emitting diodes (OLEDs). Counter intuitively, we show that the origin is image-force lowering of the barrier due to the gate bias at the source contact, although the

  4. Charged Polaron Polaritons in an Organic Semiconductor Microcavity

    Science.gov (United States)

    Cheng, Chiao-Yu; Dhanker, Rijul; Gray, Christopher L.; Mukhopadhyay, Sukrit; Kennehan, Eric R.; Asbury, John B.; Sokolov, Anatoliy; Giebink, Noel C.

    2018-01-01

    We report strong coupling between light and polaron optical excitations in a doped organic semiconductor microcavity at room temperature. Codepositing MoO3 and the hole transport material 4, 4' -cyclohexylidenebis[N , N -bis(4-methylphenyl)benzenamine] introduces a large hole density with a narrow linewidth optical transition centered at 1.8 eV and an absorption coefficient exceeding 104 cm-1 . Coupling this transition to a Fabry-Pérot cavity mode yields upper and lower polaron polariton branches that are clearly resolved in angle-dependent reflectivity with a vacuum Rabi splitting ℏ ΩR>0.3 eV . This result establishes a path to electrically control polaritons in organic semiconductors and may lead to increased polariton-polariton Coulombic interactions that lower the threshold for nonlinear phenomena such as polariton condensation and lasing.

  5. Ultrafast long-range charge separation in organic semiconductor photovoltaic diodes.

    Science.gov (United States)

    Gélinas, Simon; Rao, Akshay; Kumar, Abhishek; Smith, Samuel L; Chin, Alex W; Clark, Jenny; van der Poll, Tom S; Bazan, Guillermo C; Friend, Richard H

    2014-01-31

    Understanding the charge-separation mechanism in organic photovoltaic cells (OPVs) could facilitate optimization of their overall efficiency. Here we report the time dependence of the separation of photogenerated electron hole pairs across the donor-acceptor heterojunction in OPV model systems. By tracking the modulation of the optical absorption due to the electric field generated between the charges, we measure ~200 millielectron volts of electrostatic energy arising from electron-hole separation within 40 femtoseconds of excitation, corresponding to a charge separation distance of at least 4 nanometers. At this separation, the residual Coulomb attraction between charges is at or below thermal energies, so that electron and hole separate freely. This early time behavior is consistent with charge separation through access to delocalized π-electron states in ordered regions of the fullerene acceptor material.

  6. Evidence of Delocalization in Charge-Transfer State Manifold for Donor:Acceptor Organic Photovoltaics.

    Science.gov (United States)

    Guan, Zhiqiang; Li, Ho-Wa; Zhang, Jinfeng; Cheng, Yuanhang; Yang, Qingdan; Lo, Ming-Fai; Ng, Tsz-Wai; Tsang, Sai-Wing; Lee, Chun-Sing

    2016-08-24

    How charge-transfer states (CTSs) assist charge separation of a Coulombically bound exciton in organic photovoltaics has been a hot topic. It is believed that the delocalization feature of a CTS plays a crucial role in the charge separation process. However, the delocalization of the "hot" and the "relaxed" CTSs is still under debate. Here, with a novel frequency dependent charge-modulated electroabsorption spectroscopy (CMEAS) technique, we elucidate clearly that both "hot" and "relaxed" CTSs are loosely bound and delocalized states. This is confirmed by comparing the CMEAS results of CTSs with those of localized polaron states. Our results reveal the role of CTS delocalization on charge separation and indicate that no substantial delocalization gradient exists in CTSs.

  7. Optimized Charging Scheduling with Single Mobile Charger for Wireless Rechargeable Sensor Networks

    Directory of Open Access Journals (Sweden)

    Qihua Wang

    2017-11-01

    Full Text Available Due to the rapid development of wireless charging technology, the recharging issue in wireless rechargeable sensor network (WRSN has been a popular research problem in the past few years. The weakness of previous work is that charging route planning is not reasonable. In this work, a dynamic optimal scheduling scheme aiming to maximize the vacation time ratio of a single mobile changer for WRSN is proposed. In the proposed scheme, the wireless sensor network is divided into several sub-networks according to the initial topology of deployed sensor networks. After comprehensive analysis of energy states, working state and constraints for different sensor nodes in WRSN, we transform the optimized charging path problem of the whole network into the local optimization problem of the sub networks. The optimized charging path with respect to dynamic network topology in each sub-network is obtained by solving an optimization problem, and the lifetime of the deployed wireless sensor network can be prolonged. Simulation results show that the proposed scheme has good and reliable performance for a small wireless rechargeable sensor network.

  8. Effect of Coulomb correlation on charge transport in disordered organic semiconductors

    Science.gov (United States)

    Liu, Feilong; van Eersel, Harm; Xu, Bojian; Wilbers, Janine G. E.; de Jong, Michel P.; van der Wiel, Wilfred G.; Bobbert, Peter A.; Coehoorn, Reinder

    2017-11-01

    Charge transport in disordered organic semiconductors, which is governed by incoherent hopping between localized molecular states, is frequently studied using a mean-field approach. However, such an approach only considers the time-averaged occupation of sites and neglects the correlation effect resulting from the Coulomb interaction between charge carriers. Here, we study the charge transport in unipolar organic devices using kinetic Monte Carlo simulations and show that the effect of Coulomb correlation is already important when the charge-carrier concentration is above 10-3 per molecular site and the electric field is smaller than 108 V/m. The mean-field approach is then no longer valid, and neglecting the effect can result in significant errors in device modeling. This finding is supported by experimental current density-voltage characteristics of ultrathin sandwich-type unipolar poly(3-hexylthiophene) (P3HT) devices, where high carrier concentrations are reached.

  9. Single-charge craters excavated during subsurface high-explosive experiments at Big Black Test Site, Mississippi

    International Nuclear Information System (INIS)

    Woodruff, W.R.; Bryan, J.B.

    1978-01-01

    Single-charge and row-charge subsurface cratering experiments were performed to learn how close-spacing enhances single-crater dimensions. Our first experimental phase established cratering curves for 60-lb charges of the chemical explosive. For the second phase, to be described in a subsequent report, the Row-cratering experiments were designed and executed. This data report contains excavated dimensions and auxiliary data for the single-charge cratering experiments. The dimensions for the row-charge experiments will be in the other report. Significant changes in the soil's water content appeared to cause a variability in the excavated dimensions. This variability clouded the interpretation and application of the cratering curves obtained

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

    Energy Technology Data Exchange (ETDEWEB)

    Baumann, Andreas

    2011-08-02

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

  11. Large Modulation of Charge Carrier Mobility in Doped Nanoporous Organic Transistors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Fengjiao [Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, 600 S. Mathews Ave. Urbana IL 61801 USA; Dai, Xiaojuan [Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 P. R. China; Zhu, Weikun [Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, 600 S. Mathews Ave. Urbana IL 61801 USA; Chung, Hyunjoong [Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, 600 S. Mathews Ave. Urbana IL 61801 USA; Diao, Ying [Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, 600 S. Mathews Ave. Urbana IL 61801 USA

    2017-05-10

    Molecular doping of organic electronics has shown promise to sensitively modulate important device metrics. One critical challenge is the disruption of structure order upon doping of highly crystalline organic semiconductors, which significantly reduces the charge carrier mobility. This paper demonstrates a new method to achieve large modulation of charge carrier mobility via channel doping without disrupting the molecular ordering. Central to the method is the introduction of nanopores into the organic semiconductor thin films via a simple and robust templated meniscus-guided coating method. Using this method, the charge carrier mobility of C8-benzothieno[3,2-b]benzothiophene transistors is boosted by almost sevenfold. This paper further demonstrates enhanced electron transport by close to an order of magnitude in a diketopyrrolopyrrole-based donor–acceptor polymer. Combining spectroscopic measurements, density functional theory calculations, and electrical characterizations, the doping mechanism is identified as partial-charge-transfer induced trap filling. The nanopores serve to enhance the dopant/organic semiconductor charge transfer reaction by exposing the π-electrons to the pore wall.

  12. Hall Effect in Bulk-Doped Organic Single Crystals.

    Science.gov (United States)

    Ohashi, Chika; Izawa, Seiichiro; Shinmura, Yusuke; Kikuchi, Mitsuru; Watase, Seiji; Izaki, Masanobu; Naito, Hiroyoshi; Hiramoto, Masahiro

    2017-06-01

    The standard technique to separately and simultaneously determine the carrier concentration per unit volume (N, cm -3 ) and the mobility (μ) of doped inorganic single crystals is to measure the Hall effect. However, this technique has not been reported for bulk-doped organic single crystals. Here, the Hall effect in bulk-doped single-crystal organic semiconductors is measured. A key feature of this work is the ultraslow co-deposition technique, which reaches as low as 10 -9 nm s -1 and enables us to dope homoepitaxial organic single crystals with acceptors at extremely low concentrations of 1 ppm. Both the hole concentration per unit volume (N, cm -3 ) and the Hall mobility (μ H ) of bulk-doped rubrene single crystals, which have a band-like nature, are systematically observed. It is found that these rubrene single crystals have (i) a high ionization rate and (ii) scattering effects because of lattice disturbances, which are peculiar to this organic single crystal. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Inclusive photoproduction of single charged particles at high pT

    International Nuclear Information System (INIS)

    Apsimon, R.J.; Flower, P.S.; Hallewell, G.; Morris, J.A.G.; Morris, J.V.; Paterson, C.N.; Sharp, P.H.; Atkinson, M.; Brook, N.; Coyle, P.; Dickinson, B.; Donnachie, A.; Doyle, A.T.; Ellison, R.J.; Foster, J.M.; Hughes-Jones, R.E.; Ibbotson, M.; Kolya, S.D.; Lafferty, G.D.; McCann, H.; McManus, C.; Mercer, D.; Ottewell, P.J.; Reid, D.; Thompson, R.J.; Waterhouse, J.; Barberis, D.; Davenport, M.; Eades, J.; McClatchey, R.; Brodbeck, T.J.; Charity, T.; Clegg, A.B.; Henderson, R.C.W.; Hickman, M.T.; Keemer, N.R.; Newton, D.; O'Connor, A.; Wilson, G.W.; Danaher, S.; Galbraith, W.; Thacker, N.A.; Thompson, L.

    1989-01-01

    Single charged-particle inclusive cross sections for photon, pion and kaon beams on hydrogen at the CERN-SPS are presented as functions of p T and x F . Data cover the range 0.0 T F T < 1.6 GeV/c for the photon-induced data. Using the hadron-induced data to estimate the hadronic behaviour of the photon, the difference distributions and ratios of cross sections are a measure of the contribution of the point-like photon interactions. The data are compared with QCD calculations and show broadly similar features. (orig.)

  14. Charge transport across a single-Cooper-pair transistor coupled to a resonant transmission line

    Energy Technology Data Exchange (ETDEWEB)

    Leppaekangas, Juha [Institut fuer Theoretische Festkoerperphysik, Karlsruhe Institute of Technology, D-76128 Karlsruhe (Germany); Department of Physical Sciences, University of Oulu, FI-90014 Oulu (Finland); Pashkin, Yuri [NEC Nano Electronics Research Laboratories, RIKEN Advanced Science Institute, Tsukuba, Ibaraki 305-8501 (Japan); Thuneberg, Erkki [Department of Physical Sciences, University of Oulu, FI-90014 Oulu (Finland)

    2010-07-01

    We have investigated charge transport in ultrasmall superconducting single and double Josephson junctions coupled to a transmission-line resonator. The microstrip resonator is naturally formed by the on-chip leads and the sample holder. We observe equidistant peaks in the transport characteristics of both types of devices and attribute them to the process involving simultaneous tunneling of Cooper pairs and photon emission into the resonator. The experimental data is well reproduced with the orthodox model of Cooper pair tunneling that accounts for the microwave photon emission into the resonator.

  15. Charging a Capacitor from an External Fluctuating Potential using a Single Conical Nanopore

    Science.gov (United States)

    Gomez, Vicente; Ramirez, Patricio; Cervera, Javier; Nasir, Saima; Ali, Mubarak; Ensinger, Wolfgang; Mafe, Salvador

    2015-01-01

    We explore the electrical rectification of large amplitude fluctuating signals by an asymmetric nanostructure operating in aqueous solution. We show experimentally and theoretically that a load capacitor can be charged to voltages close to 1 V within a few minutes by converting zero time-average potentials of amplitudes in the range 0.5–3 V into average net currents using a single conical nanopore. This process suggests that significant energy conversion and storage from an electrically fluctuating environment is feasible with a nanoscale pore immersed in a liquid electrolyte solution, a system characteristic of bioelectronics interfaces, electrochemical cells, and nanoporous membranes. PMID:25830563

  16. Charging a capacitor from an external fluctuating potential using a single conical nanopore.

    Science.gov (United States)

    Gomez, Vicente; Ramirez, Patricio; Cervera, Javier; Nasir, Saima; Ali, Mubarak; Ensinger, Wolfgang; Mafe, Salvador

    2015-04-01

    We explore the electrical rectification of large amplitude fluctuating signals by an asymmetric nanostructure operating in aqueous solution. We show experimentally and theoretically that a load capacitor can be charged to voltages close to 1 V within a few minutes by converting zero time-average potentials of amplitudes in the range 0.5-3 V into average net currents using a single conical nanopore. This process suggests that significant energy conversion and storage from an electrically fluctuating environment is feasible with a nanoscale pore immersed in a liquid electrolyte solution, a system characteristic of bioelectronics interfaces, electrochemical cells, and nanoporous membranes.

  17. Deflection of high energy channeled charged particles by elastically bent silicon single crystals

    International Nuclear Information System (INIS)

    Gibson, W.M.; Kim, I.J.; Pisharodoy, M.; Salman, S.M.; Sun, C.R.; Wang, G.H.; Wijayawardana, R.; Forster, J.S.; Mitchell, I.V.; Baker, S.I.; Carrigan, R.A. Jr.; Toohig, T.E.; Avdeichikov, V.V.; Ellison, J.A.; Siffert, P.

    1984-01-01

    An experiment has been carried out to observe the deflection of charged particles by planar channeling in bent single crystals of silicon for protons with energy up to 180 GeV. Anomolous loss of particles from the center point of a three point bending apparatus was observed at high incident particle energy. This effect has been exploited to fashion a 'dechanneling spectrometer' to study dechanneling effects due to centripital displacement of channeled particle trajectories in a bent crystal. The bending losses generally conform to the predictions of calculations based on a classical model. (orig.)

  18. Universal Disorder in Organic Semiconductors Due to Fluctuations in Space Charge

    Science.gov (United States)

    Wu, Tzu-Cheng

    This thesis concerns the study of charge transport in organic semiconductors. These materials are widely used as thin-film photoconductors in copiers and laser printers, and for their electroluminescent properties in organic light-emitting diodes. Much contemporary research is directed towards improving the efficiency of organic photovoltaic devices, which is limited to a large extent by the spatial and energetic disorder that hinders the charge mobility. One contribution to energetic disorder arises from the strong Coulomb interactions between injected charges with one another, but to date this has been largely ignored. We present a mean-field model for the effect of mutual interactions between injected charges hopping from site to site in an organic semiconductor. Our starting point is a modified Fröhlich Hamiltonian in which the charge is linearly coupled to the amplitudes of a wide band of dispersionless plasma modes having a Lorentzian distribution of frequencies. We show that in most applications of interest the hopping rates are fast enough while the plasma frequencies are low enough that random thermal fluctuations in the plasma density give rise to an energetically disordered landscape that is effectively stationary for many thousands of hops. Moreover, the distribution of site energies is Gaussian, and the energy-energy correlation function decays inversely with distance; as such, it can be argued that this disorder contributes to the Poole-Frenkel field dependence seen in a wide variety of experiments. Remarkably, the energetic disorder is universal; although it is caused by the fluctuations in the charge density, it is independent of the charge concentration.

  19. Single Pt Atoms Confined into a Metal-Organic Framework for Efficient Photocatalysis.

    Science.gov (United States)

    Fang, Xinzuo; Shang, Qichao; Wang, Yu; Jiao, Long; Yao, Tao; Li, Yafei; Zhang, Qun; Luo, Yi; Jiang, Hai-Long

    2018-02-01

    It is highly desirable yet remains challenging to improve the dispersion and usage of noble metal cocatalysts, beneficial to charge transfer in photocatalysis. Herein, for the first time, single Pt atoms are successfully confined into a metal-organic framework (MOF), in which electrons transfer from the MOF photosensitizer to the Pt acceptor for hydrogen production by water splitting under visible-light irradiation. Remarkably, the single Pt atoms exhibit a superb activity, giving a turnover frequency of 35 h -1 , ≈30 times that of Pt nanoparticles stabilized by the same MOF. Ultrafast transient absorption spectroscopy further unveils that the single Pt atoms confined into the MOF provide highly efficient electron transfer channels and density functional theory calculations indicate that the introduction of single Pt atoms into the MOF improves the hydrogen binding energy, thus greatly boosting the photocatalytic H 2 production activity. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Steric control of the donor/acceptor interface: Implications in organic photovoltaic charge generation

    KAUST Repository

    Holcombe, Thomas W.

    2011-08-10

    The performance of organic photovoltaic (OPV) devices is currently limited by modest short-circuit current densities. Approaches toward improving this output parameter may provide new avenues to advance OPV technologies and the basic science of charge transfer in organic semiconductors. This work highlights how steric control of the charge separation interface can be effectively tuned in OPV devices. By introducing an octylphenyl substituent onto the investigated polymer backbones, the thermally relaxed charge-transfer state, and potentially excited charge-transfer states, can be raised in energy. This decreases the barrier to charge separation and results in increased photocurrent generation. This finding is of particular significance for nonfullerene OPVs, which have many potential advantages such as tunable energy levels and spectral breadth, but are prone to poor exciton separation efficiencies. Computational, spectroscopic, and synthetic methods were combined to develop a structure-property relationship that correlates polymer substituents with charge-transfer state energies and, ultimately, device efficiencies. © 2011 American Chemical Society.

  1. Electronic transport in single-helical protein molecules: Effects of multiple charge conduction pathways and helical symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Kundu, Sourav, E-mail: sourav.kunduphy@gmail.com; Karmakar, S.N.

    2016-07-15

    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.

  2. Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

    KAUST Repository

    Fonari, Alexandr

    2014-10-21

    We evaluate the impact that the amount of nonlocal Hartree-Fock (%HF) exchange included in a hybrid density functional has on the microscopic parameters (transfer integrals, band gaps, bandwidths, and effective masses) describing charge transport in high-mobility organic crystals. We consider both crystals based on a single molecule, such as pentacene, and crystals based on mixed-stack charge-transfer systems, such as dibenzo-TTF–TCNQ. In the pentacene crystal, the band gap decreases and the effective masses increase linearly with an increase in the amount of %HF exchange. In contrast, in the charge-transfer crystals, while the band gap increases linearly, the effective masses vary only slightly with an increase in %HF exchange. We show that the superexchange nature of the electronic couplings in charge-transfer systems is responsible for this peculiar evolution of the effective masses. We compare the density functional theory results with results obtained within the G0W0 approximation as a way of benchmarking the optimal amount of %HF exchange needed in a given functional.

  3. Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells

    Science.gov (United States)

    Yan, Yaming; Song, Linze; Shi, Qiang

    2018-02-01

    By employing several lattice model systems, we investigate the free energy barrier and real-time dynamics of charge separation in organic photovoltaic (OPV) cells. It is found that the combined effects of the external electric field, entropy, and charge delocalization reduce the free energy barrier significantly. The dynamic disorder reduces charge carrier delocalization and results in the increased charge separation barrier, while the effect of static disorder is more complicated. Simulation of the real-time dynamics indicates that the free charge generation process involves multiple time scales, including an ultrafast component within hundreds of femtoseconds, an intermediate component related to the relaxation of the hot charge transfer (CT) state, and a slow component on the time scale of tens of picoseconds from the thermally equilibrated CT state. Effects of hot exciton dissociation as well as its dependence on the energy offset between the Frenkel exciton and the CT state are also analyzed. The current results indicate that only a small energy offset between the band gap and the lowest energy CT state is needed to achieve efficient free charge generation in OPV devices, which agrees with recent experimental findings.

  4. Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells.

    Science.gov (United States)

    Yan, Yaming; Song, Linze; Shi, Qiang

    2018-02-28

    By employing several lattice model systems, we investigate the free energy barrier and real-time dynamics of charge separation in organic photovoltaic (OPV) cells. It is found that the combined effects of the external electric field, entropy, and charge delocalization reduce the free energy barrier significantly. The dynamic disorder reduces charge carrier delocalization and results in the increased charge separation barrier, while the effect of static disorder is more complicated. Simulation of the real-time dynamics indicates that the free charge generation process involves multiple time scales, including an ultrafast component within hundreds of femtoseconds, an intermediate component related to the relaxation of the hot charge transfer (CT) state, and a slow component on the time scale of tens of picoseconds from the thermally equilibrated CT state. Effects of hot exciton dissociation as well as its dependence on the energy offset between the Frenkel exciton and the CT state are also analyzed. The current results indicate that only a small energy offset between the band gap and the lowest energy CT state is needed to achieve efficient free charge generation in OPV devices, which agrees with recent experimental findings.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Liping; Chen, Jiangshan; Ma, Dongge, E-mail: mdg1014@ciac.ac.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Changchun 130022 (China)

    2015-11-07

    We compared the performance of phosphorescent white organic light emitting diodes (WOLEDs) with red-blue-green and green-blue-red sequent emissive layers. It was found that the influence of red and green dopants on electron and hole transport in emissive layers leads to the large difference in the efficiency of fabricated WOLEDs. This improvement mechanism is well investigated by the current density-voltage characteristics of single-carrier devices based on dopant doped emissive layers and the comparison of electroluminescent and photoluminescence spectra, and attributed to the different change of charge carrier transport by the dopants. The optimized device achieves a maximum power efficiency, current efficiency, and external quantum efficiency of 37.0 lm/W, 38.7 cd/A, and 17.7%, respectively, which are only reduced to 32.8 lm/W, 38.5 cd/A, and 17.3% at 1000 cd/m{sup 2} luminance. The critical current density is as high as 210 mA/cm{sup 2}. It can be seen that the efficiency roll-off in phosphorescent WOLEDs can be well improved by effectively designing the structure of emissive layers.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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

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

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  8. The effects of two counterpropagating surface acoustic wave beams on single electron acoustic charge transport

    International Nuclear Information System (INIS)

    He Jianhong; Guo Huazhong; Song Li; Zhang Wei; Gao Jie; Lu Chuan

    2010-01-01

    We present a comprehensive study of the effects of two counterpropagating surface acoustic waves on the acoustoelectric current of single electron transport devices. A significant improvement in the accuracy of current quantization is achieved as a result of an additional surface acoustic wave beam. The experiments reveal the sinusoidally periodical modulation in the acoustoelectric current characteristic as a function of the relative phase of the two surface acoustic wave beams. Besides, by using standing surface acoustic waves, the acoustoelectric current is detected which we consider as the so-called anomalous acoustoelectric current produced by acoustic wave mechanical deformations. This kind current is contributed to one component of the acoustoelectric current in surface acoustic wave device, which could enable us to establish a more adequate description of acoustoelectric effects on single-electron acoustic charge transport.

  9. Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

    Science.gov (United States)

    Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

    2018-02-14

    We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

  10. SINGLE CHANNEL SEISMIC APPLICATION FOR GAS CHARGED SEDIMENT RECONNAISSANCE IN GEOHAZARD STUDY OF PORT CONSTRUCTION AT WETLAND AREA

    Directory of Open Access Journals (Sweden)

    Taufan Wiguna

    2016-10-01

    Full Text Available Gas charged sediment as a one of parameter for geohazard study in infrastructure especially in swamp area. Instability of sediment layer for exampel subsidence and landslide result in geohazard potention that caused by gas charged sediment. Seismic single channel can be used to identufy gas charged sediment location. Seabed morphology is collected from bathymetry and tidal survey. From seismic profile interpretation shows gas charged sediment indication in Line A and Line B. That indication emerged by presence of acoustic turbid zone and acoustic blanking. Line A and Line B location will be spotlight in next geotechnic port construction study.

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

    KAUST Repository

    Shi, Dong

    2016-04-15

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

  12. Organic narrowband near-infrared photodetectors based on intermolecular charge-transfer absorption

    Science.gov (United States)

    Siegmund, Bernhard; Mischok, Andreas; Benduhn, Johannes; Zeika, Olaf; Ullbrich, Sascha; Nehm, Frederik; Böhm, Matthias; Spoltore, Donato; Fröb, Hartmut; Körner, Christian; Leo, Karl; Vandewal, Koen

    2017-06-01

    Blending organic electron donors and acceptors yields intermolecular charge-transfer states with additional optical transitions below their optical gaps. In organic photovoltaic devices, such states play a crucial role and limit the operating voltage. Due to its extremely weak nature, direct intermolecular charge-transfer absorption often remains undetected and unused for photocurrent generation. Here, we use an optical microcavity to increase the typically negligible external quantum efficiency in the spectral region of charge-transfer absorption by more than 40 times, yielding values over 20%. We demonstrate narrowband detection with spectral widths down to 36 nm and resonance wavelengths between 810 and 1,550 nm, far below the optical gap of both donor and acceptor. The broad spectral tunability via a simple variation of the cavity thickness makes this innovative, flexible and potentially visibly transparent device principle highly suitable for integrated low-cost spectroscopic near-infrared photodetection.

  13. Surface characterization and surface electronic structure of organic quasi-one-dimensional charge transfer salts

    DEFF Research Database (Denmark)

    Sing, M.; Schwingenschlögl, U.; Claessen, R.

    2003-01-01

    We have thoroughly characterized the surfaces of the organic charge-transfer salts TTF-TCNQ and (TMTSF)(2)PF6 which are generally acknowledged as prototypical examples of one-dimensional conductors. In particular x-ray-induced photoemission spectroscopy turns out to be a valuable nondestructive d...

  14. Non-Covalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals

    KAUST Repository

    Ryno, Sean

    2016-05-18

    Non-covalent interactions determine in large part the thermodynamic aspects of molecular packing in organic crystals. Using a combination of symmetry-adapted perturbation theory (SAPT) and classical multipole electrostatics, we describe the interaction potential energy surfaces for dimers of the oligoacene family, from benzene to hexacene. An analysis of these surfaces and a thorough assessment of dimers extracted from the reported crystal structures underline that high-order interactions (i.e., three-body non-additive interactions) must be considered in order to rationalize the details of the crystal structures. A comparison of the SAPT electrostatic energy with the multipole interaction energy demonstrates the importance of the contribution of charge penetration, which is shown to account for up to 50% of the total interaction energy in dimers extracted from the experimental single crystals; in the case of the most stable co-facial model dimers, this contribution is even larger than the total interaction energy. Our results highlight the importance of taking account of charge penetration in studies of the larger oligoacenes.

  15. Mapping Charge Carrier Density in Organic Thin-Film Transistors by Time-Resolved Photoluminescence Lifetime Studies

    DEFF Research Database (Denmark)

    Leißner, Till; Jensen, Per Baunegaard With; Liu, Yiming

    2017-01-01

    The device performance of organic transistors is strongly influenced by the charge carrier distribution. A range of factors effect this distribution, including injection barriers at the metal-semiconductor interface, the morphology of the organic film, and charge traps at the dielectric/organic i......The device performance of organic transistors is strongly influenced by the charge carrier distribution. A range of factors effect this distribution, including injection barriers at the metal-semiconductor interface, the morphology of the organic film, and charge traps at the dielectric....../organic interface or at grain boundaries. In our comprehensive experimental and analytical work we demonstrate a method to characterize the charge carrier density in organic thin-film transistors using time-resolved photoluminescence spectroscopy. We developed a numerical model that describes the electrical...

  16. The Fate of a Normal Human Cell Traversed by a Single Charged Particle

    Science.gov (United States)

    Fournier, C.; Zahnreich, S.; Kraft, D.; Friedrich, T.; Voss, K.-O.; Durante, M.; Ritter, S.

    2012-01-01

    The long-term “fate” of normal human cells after single hits of charged particles is one of the oldest unsolved issues in radiation protection and cellular radiobiology. Using a high-precision heavy-ion microbeam we could target normal human fibroblasts with exactly one or five carbon ions and measured the early cytogenetic damage and the late behaviour using single-cell cloning. Around 70% of the first cycle cells presented visible aberrations in mFISH after a single ion traversal, and about 5% of the cells were still able to form colonies. In one third of selected high-proliferative colonies we observed clonal (radiation-induced) aberrations. Terminal differentiation and markers of senescence (PCNA, p16) in the descendants of cells traversed by one carbon ion occurred earlier than in controls, but no evidence of radiation-induced chromosomal instability was found. We conclude that cells surviving single-ion traversal, often carrying clonal chromosome aberrations, undergo accelerated senescence but maintain chromosomal stability. PMID:22966418

  17. The Fate of a Normal Human Cell Traversed by a Single Charged Particle

    Science.gov (United States)

    Fournier, C.; Zahnreich, S.; Kraft, D.; Friedrich, T.; Voss, K.-O.; Durante, M.; Ritter, S.

    2012-09-01

    The long-term ``fate'' of normal human cells after single hits of charged particles is one of the oldest unsolved issues in radiation protection and cellular radiobiology. Using a high-precision heavy-ion microbeam we could target normal human fibroblasts with exactly one or five carbon ions and measured the early cytogenetic damage and the late behaviour using single-cell cloning. Around 70% of the first cycle cells presented visible aberrations in mFISH after a single ion traversal, and about 5% of the cells were still able to form colonies. In one third of selected high-proliferative colonies we observed clonal (radiation-induced) aberrations. Terminal differentiation and markers of senescence (PCNA, p16) in the descendants of cells traversed by one carbon ion occurred earlier than in controls, but no evidence of radiation-induced chromosomal instability was found. We conclude that cells surviving single-ion traversal, often carrying clonal chromosome aberrations, undergo accelerated senescence but maintain chromosomal stability.

  18. Effect of Coulomb scattering from trapped charges on the mobility in an organic field-effect transistor

    NARCIS (Netherlands)

    Sharma, A.; Janssen, N.M.A.; Matthijssen, S.J.G.; de Leeuw, D.M.; Kemerink, M.; Bobbert, P.A.

    2011-01-01

    We investigate the effect of Coulomb scattering from trapped charges on the mobility in the two-dimensional channel of an organic field-effect transistor. The number of trapped charges can be tuned by applying a prolonged gate bias. Surprisingly, after increasing the number of trapped charges to a

  19. Enhanced Emission by Accumulated Charges at Organic/Metal Interfaces Generated during the Reverse Bias of Organic Light Emitting Diodes

    Directory of Open Access Journals (Sweden)

    Soichiro Nozoe

    2017-10-01

    Full Text Available A high frequency rectangular alternating voltage was applied to organic light emitting diodes (OLEDs with the structure ITO/TPD/Alq3/Al and ITO/CoPc/Alq3/Al, where ITO is indium-tin-oxide, TPD is 4,4′-bis[N-phenyl-N-(m-tolylamino]biphenyl, CoPc is cobalt phthalocyanine, and Alq3 is Tris(8-quinolinolatoaluminum, and the effect on emission of the reverse bias was examined. The results reveal that the emission intensity under an alternating reverse-forward bias is greater than that under an alternating zero-forward bias. The difference in the emission intensity (∆I increased both for decreasing frequency and increasing voltage level of the reverse bias. In particular, the change in emission intensity was proportional to the voltage level of the reverse bias given the same frequency. To understand ΔI, this paper proposes a model in which an OLED works as a capacitor under reverse bias, where positive and negative charges accumulate on the metal/organic interfaces. In this model, the emission enhancement that occurs during the alternating reverse-forward bias is rationalized as a result of the charge accumulation at the organic/metal interfaces during the reverse bias, which possibly modulates the vacuum level shifts at the organic/metal interfaces to reduce both the hole injection barrier at the organic/ITO interface and the electron injection barrier at the organic/Al interface under forward bias.

  20. Charge transport in organic semiconductors: assessment of the mean field theory in the hopping regime.

    Science.gov (United States)

    Wang, Linjun; Beljonne, David

    2013-08-14

    The performance of the mean field theory to account for charge transfer rate in molecular dimers and charge transport mobility in molecular stacks with small intermolecular electronic coupling and large local electron-phonon coupling (i.e., in the hopping regime) is carefully investigated against various other approaches. Using Marcus formula as a reference, it is found that mean field theory with system-bath interaction and surface hopping approaches yield fully consistent charge transfer rates in dimers. However, in contrast to the dimer case, incorporating system-bath interaction in the mean field approach results in a completely wrong temperature dependence of charge carrier mobility in larger aggregates. Although the mean field simulation starting from the relaxed geometry of a charged molecule and neglecting system-bath interaction can reproduce thermally activated transport, it is not able to characterize properly the role of additional nonlocal electron-phonon couplings. Our study reveals that the mean field theory must be used with caution when studying charge transport in the hopping regime of organic semiconductors, where the surface hopping approach is generally superior.

  1. Solution-grown organic single-crystalline donor-acceptor heterojunctions for photovoltaics.

    Science.gov (United States)

    Li, Hanying; Fan, Congcheng; Fu, Weifei; Xin, Huolin L; Chen, Hongzheng

    2015-01-12

    Organic single crystals are ideal candidates for high-performance photovoltaics due to their high charge mobility and long exciton diffusion length; however, they have not been largely considered for photovoltaics due to the practical difficulty in making a heterojunction between donor and acceptor single crystals. Here, we demonstrate that extended single-crystalline heterojunctions with a consistent donor-top and acceptor-bottom structure throughout the substrate can be simply obtained from a mixed solution of C60 (acceptor) and 3,6-bis(5-(4-n-butylphenyl)thiophene-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione (donor). 46 photovoltaic devices were studied with the power conversion efficiency of (0.255±0.095)% under 1 sun, which is significantly higher than the previously reported value for a vapor-grown organic single-crystalline donor-acceptor heterojunction (0.007%). As such, this work opens a practical avenue for the study of organic photovoltaics based on single crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Self-organization of single filaments and diffusive plasmas during a single pulse in dielectric-barrier discharges

    International Nuclear Information System (INIS)

    Babaeva, Natalia Yu; Kushner, Mark J

    2014-01-01

    Self-organization of filaments in dielectric-barrier discharges (DBDs) probably has many origins. However, the dominant cause is proposed to be the accumulation of charge on the surfaces of the bounding dielectrics that reinforces successive discharge pulses to occur at the same locations. A secondary cause is the electrostatic repulsion of individual plasma filaments. Self-organization typically develops over many discharge pulses. In this paper, we discuss the results of a computational investigation of plasma filaments in overvoltage DBDs that, under select conditions, display self-organized patterns (SOPs) of plasma density during a single discharge pulse. (Overvoltage refers to the rapid application of a voltage in excess of the quasi-dc breakdown voltage.) The origin of the SOPs is a synergistic relationship between the speed of the surface-ionization waves that propagate along each dielectric and the rate at which avalanche occurs across the gap. For our test conditions, SOPs were not observed at lower voltages and gradually formed at higher voltages. The same conditions that result in SOPs, i.e. the application of an overvoltage, also produce more diffuse discharges. A transition from a single narrow filament to a more diffuse structure was observed as overvoltage was approached. The sensitivity of SOPs to the orientation and permittivity of the bounding dielectrics is discussed. (paper)

  3. Charge separation energetics at organic heterojunctions: on the role of structural and electrostatic disorder.

    Science.gov (United States)

    Castet, Frédéric; D'Avino, Gabriele; Muccioli, Luca; Cornil, Jérôme; Beljonne, David

    2014-10-14

    Improving the performance of organic photovoltaic cells requires the individuation of the specific factors limiting their efficiency, by rationalizing the relationship between the chemical nature of the materials, their morphology, and the electronic processes taking place at their interface. In this contribution, we present recent theoretical advances regarding the determination of the energetics and dynamics of charge carriers at organic-organic interfaces, highlighting the role of structural and electrostatic disorder in the separation of electron-hole pairs. The influence of interfacial electrostatic interactions on charge carrier energetics is first illustrated in model aggregates. Then, we review some of our recent theoretical studies in which we combined molecular dynamics, quantum-chemical and classical micro-electrostatic methods to evaluate the energy landscape explored by the mobile charges in the vicinity of donor-acceptor interfaces with realistic morphologies. Finally, we describe the theoretical challenges that still need to be overcome in order to gain a complete overview of the charge separation processes at the molecular level.

  4. Highly simplified small molecular phosphorescent organic light emitting devices with a solution-processed single layer

    Directory of Open Access Journals (Sweden)

    Zhaokui Wang

    2011-09-01

    Full Text Available A highly simplified single layer solution-processed phosphorescent organic light emitting device (PHOLED with the maximum ηP 11.5 lm/W corresponding to EQE 9.6% has been demonstrated. The solution-processed device is shown having comparable even exceeding device performance to vacuum-processed PHOLED. The simplified device design strategy represents a pathway toward large area, low cost and high efficiency OLEDs in the future. The charge injection and conduction mechanisms in two solution- and vacuum-processed devices are also investigated by evaluating the temperature dependence of current density – voltage characteristics.

  5. Direct Imaging of Highly Anisotropic Photogenerated Charge Separations on Different Facets of a Single BiVO4 Photocatalyst.

    Science.gov (United States)

    Zhu, Jian; Fan, Fengtao; Chen, Ruotian; An, Hongyu; Feng, Zhaochi; Li, Can

    2015-07-27

    Spatially resolved surface photovoltage spectroscopy (SRSPS) was employed to obtain direct evidence for highly anisotropic photogenerated charge separation on different facets of a single BiVO4 photocatalyst. Through the controlled synthesis of a single crystal with preferentially exposed {010} facets, highly anisotropic photogenerated hole transfer to the {011} facet of single BiVO4 crystals was observed. The surface photovoltage signal intensity on the {011} facet was 70 times stronger than that on the {010} facets. The influence of the built-in electric field in the space charge region of different facets on the anisotropic photoinduced charge transfer in a single semiconductor crystal is revealed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Manipulation of organic polyradicals in a single-molecule transistor

    NARCIS (Netherlands)

    Fock, J.; Leijnse, M.; Jennum, K.; Zyazin, A.S.; Paaske, J.; Hedegard, P.; Brondsted Nielsen, M.; Van der Zant, H.S.J.

    2012-01-01

    Inspired by cotunneling spectroscopy of spin-states in a single OPE5-based molecule, we investigate the prospects for electric control of magnetism in purely organic molecules contacted in a three-terminal geometry. Using the gate electrode, the molecule is reversibly switched between three

  7. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  8. Transverse target single-spin asymmetry in inclusive electroproduction of charged pions and kaons

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Giessen Univ. (Germany). 2. Physikalisches Inst.; Michigan Univ., Ann Arbor, MI (United States). Randall Laboratory of Physics; Akopov, N. [Yerevan Physics Institute (Argentina); Akopov, Z. [DESY Hamburg (Germany)] [and others; Collaboration: HERMES Collaboration

    2013-10-15

    Single-spin asymmetries were investigated in inclusive electroproduction of charged pions and kaons from transversely polarized protons at the HERMES experiment. The asymmetries were studied as a function of the azimuthal angle {psi} about the beam direction between the target-spin direction and the hadron production plane, the transverse hadron momentum P{sub T} relative to the direction of the incident beam, and the Feynman variable x{sub F}. The sin {psi} amplitudes are positive for {pi}{sup +} and K{sup +}, slightly negative for {pi}{sup -} consistent with zero for K{sup -}, with particular P{sub T} but weak x{sub F} dependences. Especially large asymmetries are observed for two small subsamples of events, where also the scattered electron was recorded by the spectrometer.

  9. Chemical properties of astatine positive single-charged ion in aqueous solutions

    International Nuclear Information System (INIS)

    Milanov, M.; Doberents, V.; Khalkin, V.A.; Marinov, A.

    1983-01-01

    The mobility of the oxidized astatine in solutions H(Na)ClO 4 (μ=0.4 M) - 1x10 -4 M K 2 Cr 2 O 7 has been measured at 25 deg C in the interval 0.63 -4 cm 2 V -1 s -1 , pH 0.63 Usub(c)=2.67x10 -4 cm 2 V -1 s -1 . The effect agrees with the opinion that a single-charged cation of astatine formed in acidic solutions is a strong aquacomplex ((Hsub(2)O)sub(x)At)sup(+) (x=1-2) (protonized hypoastatine acid). Deprotonization constant of this cation is Ksub(dp)=0.032+-0.005. Specific properties of the astatine cation are given. They can be explained, probability, through the peculiarities of its structure

  10. Effect of quenched disorder on charge-orbital-spin ordering in single-layer manganites

    International Nuclear Information System (INIS)

    Uchida, Masaya; Mathieu, Roland; He, Jinping; Kaneko, Yoshio; Tokura, Yoshinori; Asamitsu, Atsushi; Kumai, Reiji; Tomioka, Yasuhide; Matsui, Yoshio

    2006-01-01

    Structural and magnetic properties have been investigated for half-doped single-layer manganites RE 0.5 Sr 1.5 MnO 4 [RE=La, (La, Pr), Pr, Nd, Sm, and Eu]. Analyses of electron diffraction and ac susceptibility measurements have revealed that the long-range charge-orbital ordering (CO-OO) state as observed in La 0.5 Sr 1.5 MnO 4 is suppressed for the other materials: the CO-OO transition temperature, as well as the correlation length decreases with a decrease in the cation size of RE. Such a short-range CO-OO state shows a spin-glass behavior at low temperatures. A new electronic phase diagram is established with quenched disorder as the control parameter. (author)

  11. Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F.; Riera, A.; Yaez, M.

    1986-12-01

    In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s/sup 2/) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail.

  12. Transverse target single-spin asymmetry in inclusive electroproduction of charged pions and kaons

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); Randall Laboratory of Physics, University of Michigan, Ann Arbor, MI 48109-1040 (United States); Akopov, N. [Yerevan Physics Institute, 375036 Yerevan (Armenia); Akopov, Z. [DESY, 22603 Hamburg (Germany); Aschenauer, E.C. [DESY, 15738 Zeuthen (Germany); Augustyniak, W. [National Centre for Nuclear Research, 00-689 Warsaw (Poland); Avakian, R.; Avetissian, A. [Yerevan Physics Institute, 375036 Yerevan (Armenia); Avetisyan, E. [DESY, 22603 Hamburg (Germany); Belostotski, S. [K.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, 188300 Leningrad Region (Russian Federation); Bianchi, N. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, 00044 Frascati (Italy); Blok, H.P. [National Institute for Subatomic Physics (Nikhef), 1009 DB Amsterdam (Netherlands); Department of Physics and Astronomy, VU University, 1081 HV Amsterdam (Netherlands); Borissov, A. [DESY, 22603 Hamburg (Germany); Bowles, J. [SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Bryzgalov, V. [Institute for High Energy Physics, Protvino, 142281 Moscow Region (Russian Federation); Burns, J. [SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Capiluppi, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara and Dipartimento di Fisica e Scienze della Terra, Università di Ferrara, 44122 Ferrara (Italy); Capitani, G.P. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, 00044 Frascati (Italy); Cisbani, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Gruppo Collegato Sanità and Istituto Superiore di Sanità, 00161 Roma (Italy); and others

    2014-01-20

    Single-spin asymmetries were investigated in inclusive electroproduction of charged pions and kaons from transversely polarized protons at the HERMES experiment. The asymmetries were studied as a function of the azimuthal angle ψ about the beam direction between the target-spin direction and the hadron production plane, the transverse hadron momentum P{sub T} relative to the direction of the incident beam, and the Feynman variable x{sub F}. The sin ψ amplitudes are positive for π{sup +} and K{sup +}, slightly negative for π{sup −} and consistent with zero for K{sup −}, with particular P{sub T} but weak x{sub F} dependences. Especially large asymmetries are observed for two small subsamples of events, where also the scattered electron was recorded by the spectrometer.

  13. Single organ variant of polyarteritis nodosa in epididymis

    Directory of Open Access Journals (Sweden)

    Ketan Garg

    2015-01-01

    Full Text Available Polyarteritis nodosa (PAN is a systemic necrotizing vasculitis that typically affects medium-sized muscular arteries, with occasional involvement of small muscular arteries. Unlike some other vasculitides (e.g. microscopic polyarteritis, Wegener′s granulomatosis PAN is not associated with antineutrophil cytoplasmic antibodies. Patients typically present with systemic symptoms such as fever, weight loss, and malaise. The kidneys, skin, joints, muscles, nerves, and gastrointestinal tract are commonly involved, usually in some combination. PAN can affect any organ, but usually spare the lungs. Clinical variants or subsets of PAN include single-organ disease and cutaneous-only PAN. Scrotal involvement is rarely the first presenting sign. We herein report a case of 36-year-old man who presented with a swelling in the left epididymis, which was surgically removed. The swelling histopathologically showed necrotizing inflammation, fibrinoid necrosis of the medium-sized arteries of the epididymis and was diagnosed to be single organ variant of PAN.

  14. A nanoscale study of charge extraction in organic solar cells: the impact of interfacial molecular configurations.

    Science.gov (United States)

    Tang, Fu-Ching; Wu, Fu-Chiao; Yen, Chia-Te; Chang, Jay; Chou, Wei-Yang; Gilbert Chang, Shih-Hui; Cheng, Horng-Long

    2015-01-07

    In the optimization of organic solar cells (OSCs), a key problem lies in the maximization of charge carriers from the active layer to the electrodes. Hence, this study focused on the interfacial molecular configurations in efficient OSC charge extraction by theoretical investigations and experiments, including small molecule-based bilayer-heterojunction (sm-BLHJ) and polymer-based bulk-heterojunction (p-BHJ) OSCs. We first examined a well-defined sm-BLHJ model system of OSC composed of p-type pentacene, an n-type perylene derivative, and a nanogroove-structured poly(3,4-ethylenedioxythiophene) (NS-PEDOT) hole extraction layer. The OSC with NS-PEDOT shows a 230% increment in the short circuit current density compared with that of the conventional planar PEDOT layer. Our theoretical calculations indicated that small variations in the microscopic intermolecular interaction among these interfacial configurations could induce significant differences in charge extraction efficiency. Experimentally, different interfacial configurations were generated between the photo-active layer and the nanostructured charge extraction layer with periodic nanogroove structures. In addition to pentacene, poly(3-hexylthiophene), the most commonly used electron-donor material system in p-BHJ OSCs was also explored in terms of its possible use as a photo-active layer. Local conductive atomic force microscopy was used to measure the nanoscale charge extraction efficiency at different locations within the nanogroove, thus highlighting the importance of interfacial molecular configurations in efficient charge extraction. This study enriches understanding regarding the optimization of the photovoltaic properties of several types of OSCs by conducting appropriate interfacial engineering based on organic/polymer molecular orientations. The ultimate power conversion efficiency beyond at least 15% is highly expected when the best state-of-the-art p-BHJ OSCs are combined with present arguments.

  15. Ordered macro-microporous metal-organic framework single crystals

    Science.gov (United States)

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  16. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui

    2018-01-16

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  17. Effect of Charge Localization on the Effective Hyperfine Interaction in Organic Semiconducting Polymers

    Science.gov (United States)

    Geng, Rugang; Subedi, Ram C.; Luong, Hoang M.; Pham, Minh T.; Huang, Weichuan; Li, Xiaoguang; Hong, Kunlun; Shao, Ming; Xiao, Kai; Hornak, Lawrence A.; Nguyen, Tho D.

    2018-02-01

    Hyperfine interaction (HFI), originating from the coupling between spins of charge carriers and nuclei, has been demonstrated to strongly influence the spin dynamics of localized charges in organic semiconductors. Nevertheless, the role of charge localization on the HFI strength in organic thin films has not yet been experimentally investigated. In this study, the statistical relation hypothesis that the effective HFI of holes in regioregular poly(3-hexylthiophene) (P3HT) is proportional to 1 /N0.5 has been examined, where N is the number of the random nuclear spins within the envelope of the hole wave function. First, by studying magnetoconductance in hole-only devices made by isotope-labeled P3HT we verify that HFI is indeed the dominant spin interaction in P3HT. Second, assuming that holes delocalize fully over the P3HT polycrystalline domain, the strength of HFI is experimentally demonstrated to be proportional to 1 /N0.52 in excellent agreement with the statistical relation. Third, the HFI of electrons in P3HT is about 3 times stronger than that of holes due to the stronger localization of the electrons. Finally, the effective HFI in organic light emitting diodes is found to be a superposition of effective electron and hole HFI. Such a statistical relation may be generally applied to other semiconducting polymers. This Letter may provide great benefits for organic optoelectronics, chemical reaction kinetics, and magnetoreception in biology.

  18. Direct Imaging of Space-Charge Accumulation and Work Function Characteristics of Functional Organic Interfaces.

    Science.gov (United States)

    Siles, Pablo F; Devarajulu, Mirunalini; Zhu, Feng; Schmidt, Oliver G

    2018-02-16

    The tailoring of organic systems is crucial to further extend the efficiency of charge transfer mechanisms and represents a cornerstone for molecular device technologies. However, this demands control of electrical properties and understanding of the physics behind organic interfaces. Here, a quantitative spatial overview of work function characteristics for phthalocyanine architectures on Au substrates is provided via kelvin probe microscopy. While macroscopic investigations are very informative, the current approach offers a nanoscale spatial rendering of electrical characteristics which is not possible to attain via conventional techniques. Interface dipole is observed due to the formation of charge accumulation layers in thin F 16 CuPc, F 16 CoPc, and MnPc films, displaying work functions of 5.7, 6.1, and 5.0 eV, respectively. The imaging and quantification of interface locations with significant surface potential and work function response (work function mapping suggests space-charge carrier regions of about 4 nm at the organic interface. This reveals rich spatial electric parameters and ambipolar characteristics that may drive electrical performance at device scales, opening a realm of possibilities toward the development of functional organic architectures and its applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Local Intermolecular Order Controls Photoinduced Charge Separation at Donor/Acceptor Interfaces in Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Feier, Hilary M.; Reid, Obadiah G.; Pace, Natalie A.; Park, Jaehong; Bergkamp, Jesse J.; Sellinger, Alan; Gust, Devens; Rumbles, Garry

    2016-03-23

    How free charge is generated at organic donor-acceptor interfaces is an important question, as the binding energy of the lowest energy (localized) charge transfer states should be too high for the electron and hole to escape each other. Recently, it has been proposed that delocalization of the electronic states participating in charge transfer is crucial, and aggregated or otherwise locally ordered structures of the donor or the acceptor are the precondition for this electronic characteristic. The effect of intermolecular aggregation of both the polymer donor and fullerene acceptor on charge separation is studied. In the first case, the dilute electron acceptor triethylsilylhydroxy-1,4,8,11,15,18,22,25-octabutoxyphthalocyaninatosilicon(IV) (SiPc) is used to eliminate the influence of acceptor aggregation, and control polymer order through side-chain regioregularity, comparing charge generation in 96% regioregular (RR-) poly(3-hexylthiophene) (P3HT) with its regiorandom (RRa-) counterpart. In the second case, ordered phases in the polymer are eliminated by using RRa-P3HT, and phenyl-C61-butyric acid methyl ester (PC61BM) is used as the acceptor, varying its concentration to control aggregation. Time-resolved microwave conductivity, time-resolved photoluminescence, and transient absorption spectroscopy measurements show that while ultrafast charge transfer occurs in all samples, long-lived charge carriers are only produced in films with intermolecular aggregates of either RR-P3HT or PC61BM, and that polymer aggregates are just as effective in this regard as those of fullerenes.

  20. Modeling space-charge-limited currents in organic semiconductors: Extracting trap density and mobility

    KAUST Repository

    Dacuña, Javier

    2011-11-28

    We have developed and have applied a mobility edge model that takes drift and diffusion currents to characterize the space-charge-limited current in organic semiconductors into account. The numerical solution of the drift-diffusion equation allows the utilization of asymmetric contacts to describe the built-in potential within the device. The model has been applied to extract information of the distribution of traps from experimental current-voltage measurements of a rubrene single crystal from Krellner showing excellent agreement across several orders of magnitude in the current. Although the two contacts are made of the same metal, an energy offset of 580 meV between them, ascribed to differences in the deposition techniques (lamination vs evaporation) was essential to correctly interpret the shape of the current-voltage characteristics at low voltage. A band mobility of 0.13cm 2V-1s-1 for holes is estimated, which is consistent with transport along the long axis of the orthorhombic unit cell. The total density of traps deeper than 0.1 eV was 2.2×1016cm -3. The sensitivity analysis and error estimation in the obtained parameters show that it is not possible to accurately resolve the shape of the trap distribution for energies deeper than 0.3 eV or shallower than 0.1 eV above the valence-band edge. The total number of traps deeper than 0.3 eV, however, can be estimated. Contact asymmetry and the diffusion component of the current play an important role in the description of the device at low bias and are required to obtain reliable information about the distribution of deep traps. © 2011 American Physical Society.

  1. Charge generation in organic solar cell materials studied by terahertz spectroscopy

    KAUST Repository

    Scarongella, M.

    2015-09-09

    We have investigated the photophysics in neat films of conjugated polymer PBDTTPD and its blend with PCBM using terahertz time-domain spectroscopy. This material has very high efficiency when used in organic solar cells. We were able to identify a THz signature for bound excitons in neat PBDTTPD films, pointing to important delocalization in those excitons. Then, we investigated the nature and local mobility (orders of magnitude higher than bulk mobility) of charges in the PBDTTPPD:PCBM blend as a function of excitation wavelength, fluence and pump-probe time delay. At low pump fluence (no bimolecular recombination phenomena), we were able to observe prompt and delayed charge generation components, the latter originating from excitons created in neat polymer domains which, thanks to delocalization, could reach the PCBM interface and dissociate to charges on a time scale of 1 ps. The nature of the photogenerated charges did not change between 0.5 ps and 800 ps after photo-excitation, which indicated that the excitons split directly into relatively free charges on an ultrafast time scale. © (2015) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  2. Single Vs Mixed Organic Cation for Low Temperature Processed Perovskite Solar Cells

    International Nuclear Information System (INIS)

    Mahmud, Md Arafat; Elumalai, Naveen Kumar; Upama, Mushfika Baishakhi; Wang, Dian; Wright, Matthew; Chan, Kah Howe; Xu, Cheng; Haque, Faiazul; Uddin, Ashraf

    2016-01-01

    Highlights: • Low temperature processed ZnO based single & mixed organic cation perovskite device. • 37% higher PCE in mixed cation perovskite solar cells (PSCs) than single cation ones. • Mixed cation PSCs exhibit significantly reduced photocurrent hysteresis. • Mixed cation PSCs demonstrate three fold higher device stability than single cation PSCs. • Electronic properties are analyzed using Electrochemical Impedance Spectroscopy. - Abstract: The present work reports a comparative study between single and mixed organic cation based MAPbI_3 and MA_0_._6FA_0_._4PbI_3 perovskite devices fabricated in conjunction with low temperature processed (<150 °C) ZnO electron transport layers. MA_0_._6FA_0_._4PbI_3 perovskite devices demonstrate 37% higher power conversion efficiency compared to MAPbI_3 perovskite devices developed on the ZnO ETL. In addition, MA_0_._6FA_0_._4PbI_3 devices exhibit very low photocurrent hysteresis and they are three-fold more stable than conventional MAPbI_3 PSCs (perovskite solar cells). An in-depth analysis on the charge transport properties in both fresh and aged devices has been carried out using electrochemical impedance spectroscopy analysis to comprehend the enhanced device stability of the mixed perovskite devices developed on the ZnO ETL. The study also investigates into the interfacial charge transfer characteristics associated with the ZnO/mixed organic cation perovskite interface and concomitant influence on the inherent electronic properties.

  3. Organic carbon in Hanford single-shell tank waste

    International Nuclear Information System (INIS)

    Toth, J.J.; Willingham, C.E.; Heasler, P.G.; Whitney, P.D.

    1994-04-01

    Safety of Hanford single-shell tanks (SSTs) containing organic carbon is a concern because the carbon in the presence of oxidizers (NO 3 or NO 2 ) is combustible when sufficiently concentrated and exposed to elevated temperatures. A propagating chemical reaction could potentially occur at high temperature (above 200 C). The rapid increase in temperature and pressure within a tank might result in the release of radioactive waste constituents to the environment. The purpose of this study is to gather available laboratory information about the organic carbon waste inventories stored in the Hanford SSTs. Specifically, the major objectives of this investigation are: Review laboratory analytical data and measurements for SST composite core and supernatant samples for available organic data; Assess the correlation of organic carbon estimated utilizing the TRAC computer code compared to laboratory measurements; and From the laboratory analytical data, estimate the TOC content with confidence levels for each of the 149 SSTs

  4. Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells

    Science.gov (United States)

    Głowienka, Damian; Szmytkowski, Jędrzej

    2018-03-01

    We report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss the influence of excitons interaction with electrons and holes on four photovoltaic parameters (a short-circuit current, an open-circuit voltage, a fill factor and a power conversion efficiency). The conclusion is that the annihilation process visibly decreases the efficiency of organic photocells, if the annihilation rate constant is greater than 10-15m3s-1 .

  5. Charging the quantum capacitance of graphene with a single biological ion channel.

    Science.gov (United States)

    Wang, Yung Yu; Pham, Ted D; Zand, Katayoun; Li, Jinfeng; Burke, Peter J

    2014-05-27

    The interaction of cell and organelle membranes (lipid bilayers) with nanoelectronics can enable new technologies to sense and measure electrophysiology in qualitatively new ways. To date, a variety of sensing devices have been demonstrated to measure membrane currents through macroscopic numbers of ion channels. However, nanoelectronic based sensing of single ion channel currents has been a challenge. Here, we report graphene-based field-effect transistors combined with supported lipid bilayers as a platform for measuring, for the first time, individual ion channel activity. We show that the supported lipid bilayers uniformly coat the single layer graphene surface, acting as a biomimetic barrier that insulates (both electrically and chemically) the graphene from the electrolyte environment. Upon introduction of pore-forming membrane proteins such as alamethicin and gramicidin A, current pulses are observed through the lipid bilayers from the graphene to the electrolyte, which charge the quantum capacitance of the graphene. This approach combines nanotechnology with electrophysiology to demonstrate qualitatively new ways of measuring ion channel currents.

  6. Cavity-Enhanced Real-Time Monitoring of Single-Charge Jumps at the Microsecond Time Scale

    Science.gov (United States)

    Arnold, C.; Loo, V.; Lemaître, A.; Sagnes, I.; Krebs, O.; Voisin, P.; Senellart, P.; Lanco, L.

    2014-04-01

    We use fast coherent reflectivity measurements, in a strongly coupled quantum dot micropillar device, to monitor in real time single-charge jumps at the microsecond time scale. Thanks to the strong enhancement of light-matter interaction inside the cavity, and to a close to shot-noise-limited detection setup, the measurement rate is 5 orders of magnitude faster than with previous optical experiments of direct single-charge sensing with quantum dots. The monitored transitions, identified at any given time with a less than 0.2% error probability, correspond to a carrier being captured and then released by a single material defect. This high-speed technique opens the way for the real-time monitoring of other rapid single quantum events, such as the quantum jumps of a single spin.

  7. Spin thermoelectric effects in organic single-molecule devices

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H.L.; Wang, M.X.; Qian, C.; Hong, X.K.; Zhang, D.B.; Liu, Y.S.; Yang, X.F., E-mail: xfyang@cslg.edu.cn

    2017-05-25

    Highlights: • A stronger spin thermoelectric performance in a polyacetylene device is observed. • For the antiferromagnetic (AFM) ordering, a transport gap is opened. Thus the thermoelectric effects are largely enhanced. - Abstract: The spin thermoelectric performance of a polyacetylene chain bridging two zigzag graphene nanoribbons (ZGNRs) is investigated based on first principles method. Two different edge spin arrangements in ZGNRs are considered. For ferromagnetic (FM) ordering, transmission eigenstates with different spin indices distributed below and above Fermi level are observed, leading directly to a strong spin thermoelectric effect in a wide temperature range. With the edge spins arranged in the antiferromagnetic (AFM) ordering, an obvious transport gap appears in the system, which greatly enhances the thermoelectric effects. The presence of a small spin splitting also induces a spin thermoelectric effect greater than the charge thermoelectric effect in certain temperature range. In general, the single-molecule junction exhibits the potential to be used for the design of perfect thermospin devices.

  8. Charge trapping at organic/self-assembly molecule interfaces studied by electrical switching behaviour in a crosspoint structure

    International Nuclear Information System (INIS)

    Li Yun; Pan Lijia; Pu Lin; Shi Yi; Liu Chuan; Tsukagoshi, Kazuhito

    2012-01-01

    Charge trapping at organic/self-assembly molecule (SAM) interfaces is studied by the electrical switching behaviour in a crosspoint structure, where interfacial charge trapping tunes the potential barrier of the SAM layer. The sample with rubrene exhibits the write-once read-many-times memory effect, which is due to the interfacial charges trapped at deep states. On the other hand, the sample with 2-amino-4,5-dicyanoimidazole presents recyclable conduction transition, which results from the trapped charges distributed at shallow states. Moreover, the percentage of the charges trapped at shallow states can be estimated from electrical transition levels. (paper)

  9. Charge trapping at organic/self-assembly molecule interfaces studied by electrical switching behaviour in a crosspoint structure

    Science.gov (United States)

    Li, Yun; Liu, Chuan; Pan, Lijia; Pu, Lin; Tsukagoshi, Kazuhito; Shi, Yi

    2012-01-01

    Charge trapping at organic/self-assembly molecule (SAM) interfaces is studied by the electrical switching behaviour in a crosspoint structure, where interfacial charge trapping tunes the potential barrier of the SAM layer. The sample with rubrene exhibits the write-once read-many-times memory effect, which is due to the interfacial charges trapped at deep states. On the other hand, the sample with 2-amino-4,5-dicyanoimidazole presents recyclable conduction transition, which results from the trapped charges distributed at shallow states. Moreover, the percentage of the charges trapped at shallow states can be estimated from electrical transition levels.

  10. Conjugated ionomers for photovoltaic applications: electric field driven charge separation in organic photovoltaics. Final Technical report

    Energy Technology Data Exchange (ETDEWEB)

    Lonergan, Mark [Univ. of Oregon, Eugene, OR (United States)

    2015-05-29

    Final technical report for Conjugated ionomers for photovoltaic applications, electric field driven charge separation in organic photovoltaics. The central goal of the work we completed was been to understand the photochemical and photovoltaic properties of ionically functionalized conjugated polymers (conjugated ionomers or polyelectrolytes) and energy conversion systems based on them. We primarily studied two classes of conjugated polymer interfaces that we developed based either upon undoped conjugated polymers with an asymmetry in ionic composition (the ionic junction) or doped conjugated polymers with an asymmetry in doping type (the p-n junction). The materials used for these studies have primarily been the polyacetylene ionomers. We completed a detailed study of p-n junctions with systematically varying dopant density, photochemical creation of doped junctions, and experimental and theoretical work on charge transport and injection in polyacetylene ionomers. We have also completed related work on the use of conjugated ionomers as interlayers that improve the efficiency or organic photovoltaic systems and studied several important aspects of the chemistry of ionically functionalized semiconductors, including mechanisms of so-called "anion-doping", the formation of charge transfer complexes with oxygen, and the synthesis of new polyfluorene polyelectrolytes. We also worked worked with the Haley group at the University of Oregon on new indenofluorene-based organic acceptors.

  11. The use of charge extraction by linearly increasing voltage in polar organic light-emitting diodes

    Science.gov (United States)

    Züfle, Simon; Altazin, Stéphane; Hofmann, Alexander; Jäger, Lars; Neukom, Martin T.; Schmidt, Tobias D.; Brütting, Wolfgang; Ruhstaller, Beat

    2017-05-01

    We demonstrate the application of the CELIV (charge carrier extraction by linearly increasing voltage) technique to bilayer organic light-emitting devices (OLEDs) in order to selectively determine the hole mobility in N,N0-bis(1-naphthyl)-N,N0-diphenyl-1,10-biphenyl-4,40-diamine (α-NPD). In the CELIV technique, mobile charges in the active layer are extracted by applying a negative voltage ramp, leading to a peak superimposed to the measured displacement current whose temporal position is related to the charge carrier mobility. In fully operating devices, however, bipolar carrier transport and recombination complicate the analysis of CELIV transients as well as the assignment of the extracted mobility value to one charge carrier species. This has motivated a new approach of fabricating dedicated metal-insulator-semiconductor (MIS) devices, where the extraction current contains signatures of only one charge carrier type. In this work, we show that the MIS-CELIV concept can be employed in bilayer polar OLEDs as well, which are easy to fabricate using most common electron transport layers (ETLs), like Tris-(8-hydroxyquinoline)aluminum (Alq3). Due to the macroscopic polarization of the ETL, holes are already injected into the hole transport layer below the built-in voltage and accumulate at the internal interface with the ETL. This way, by a standard CELIV experiment only holes will be extracted, allowing us to determine their mobility. The approach can be established as a powerful way of selectively measuring charge mobilities in new materials in a standard device configuration.

  12. Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors

    Science.gov (United States)

    Zhang, Yahong; Duan, Yuping; Song, Lulu; Zheng, Daoyuan; Zhang, Mingxing; Zhao, Guangjiu

    2017-09-01

    The intramolecular charge transfer properties of a phenyl-end-capped aniline tetramer (ANIH) and a chloro-substituted derivative (ANICl) as organic semiconductors were theoretically studied through the first-principles calculation based on the Marcus-Hush theory. The reorganization energies, intermolecular electronic couplings, angular resolution anisotropic mobilities, and density of states of the two crystals were evaluated. The calculated results demonstrate that both ANIH and ANICl crystals show the higher electron transfer mobilities than the hole-transfer mobilities, which means that the two crystals should prefer to function as n-type organic semiconductors. Furthermore, the angle dependence mobilities of the two crystals show remarkable anisotropic character. The maximum mobility μmax of ANIH and ANICl crystals is 1.3893 and 0.0272 cm2 V-1 s-1, which appear at the orientation angles near 176°/356° and 119°/299° of a conducting channel on the a-b reference plane. It is synthetically evaluated that the ANIH crystal possesses relatively lower reorganization energy, higher electronic coupling, and electron transfer mobility, which means that the ANIH crystal may be the more ideal candidate as a high performance n-type organic semiconductor material. The systematic theoretical studies on organic crystals should be conducive to evaluating the charge-transport properties and designing higher performance organic semiconductor materials.

  13. Collection-limited theory interprets the extraordinary response of single semiconductor organic solar cells

    Science.gov (United States)

    Ray, Biswajit; Baradwaj, Aditya G.; Khan, Mohammad Ryyan; Boudouris, Bryan W.; Alam, Muhammad Ashraful

    2015-01-01

    The bulk heterojunction (BHJ) organic photovoltaic (OPV) architecture has dominated the literature due to its ability to be implemented in devices with relatively high efficiency values. However, a simpler device architecture based on a single organic semiconductor (SS-OPV) offers several advantages: it obviates the need to control the highly system-dependent nanoscale BHJ morphology, and therefore, would allow the use of broader range of organic semiconductors. Unfortunately, the photocurrent in standard SS-OPV devices is typically very low, which generally is attributed to inefficient charge separation of the photogenerated excitons. Here we show that the short-circuit current density from SS-OPV devices can be enhanced significantly (∼100-fold) through the use of inverted device configurations, relative to a standard OPV device architecture. This result suggests that charge generation may not be the performance bottleneck in OPV device operation. Instead, poor charge collection, caused by defect-induced electric field screening, is most likely the primary performance bottleneck in regular-geometry SS-OPV cells. We justify this hypothesis by: (i) detailed numerical simulations, (ii) electrical characterization experiments of functional SS-OPV devices using multiple polymers as active layer materials, and (iii) impedance spectroscopy measurements. Furthermore, we show that the collection-limited photocurrent theory consistently interprets typical characteristics of regular SS-OPV devices. These insights should encourage the design and OPV implementation of high-purity, high-mobility polymers, and other soft materials that have shown promise in organic field-effect transistor applications, but have not performed well in BHJ OPV devices, wherein they adopt less-than-ideal nanostructures when blended with electron-accepting materials. PMID:26290582

  14. Collection-limited theory interprets the extraordinary response of single semiconductor organic solar cells.

    Science.gov (United States)

    Ray, Biswajit; Baradwaj, Aditya G; Khan, Mohammad Ryyan; Boudouris, Bryan W; Alam, Muhammad Ashraful

    2015-09-08

    The bulk heterojunction (BHJ) organic photovoltaic (OPV) architecture has dominated the literature due to its ability to be implemented in devices with relatively high efficiency values. However, a simpler device architecture based on a single organic semiconductor (SS-OPV) offers several advantages: it obviates the need to control the highly system-dependent nanoscale BHJ morphology, and therefore, would allow the use of broader range of organic semiconductors. Unfortunately, the photocurrent in standard SS-OPV devices is typically very low, which generally is attributed to inefficient charge separation of the photogenerated excitons. Here we show that the short-circuit current density from SS-OPV devices can be enhanced significantly (∼100-fold) through the use of inverted device configurations, relative to a standard OPV device architecture. This result suggests that charge generation may not be the performance bottleneck in OPV device operation. Instead, poor charge collection, caused by defect-induced electric field screening, is most likely the primary performance bottleneck in regular-geometry SS-OPV cells. We justify this hypothesis by: (i) detailed numerical simulations, (ii) electrical characterization experiments of functional SS-OPV devices using multiple polymers as active layer materials, and (iii) impedance spectroscopy measurements. Furthermore, we show that the collection-limited photocurrent theory consistently interprets typical characteristics of regular SS-OPV devices. These insights should encourage the design and OPV implementation of high-purity, high-mobility polymers, and other soft materials that have shown promise in organic field-effect transistor applications, but have not performed well in BHJ OPV devices, wherein they adopt less-than-ideal nanostructures when blended with electron-accepting materials.

  15. Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces

    Science.gov (United States)

    Otero, R.; Vázquez de Parga, A. L.; Gallego, J. M.

    2017-07-01

    During the last decade, interest on the growth and self-assembly of organic molecular species on solid surfaces spread over the scientific community, largely motivated by the promise of cheap, flexible and tunable organic electronic and optoelectronic devices. These efforts lead to important advances in our understanding of the nature and strength of the non-bonding intermolecular interactions that control the assembly of the organic building blocks on solid surfaces, which have been recently reviewed in a number of excellent papers. To a large extent, such studies were possible because of a smart choice of model substrate-adsorbate systems where the molecule-substrate interactions were purposefully kept low, so that most of the observed supramolecular structures could be understood simply by considering intermolecular interactions, keeping the role of the surface always relatively small (although not completely negligible). On the other hand, the systems which are more relevant for the development of organic electronic devices include molecular species which are electron donors, acceptors or blends of donors and acceptors. Adsorption of such organic species on solid surfaces is bound to be accompanied by charge-transfer processes between the substrate and the adsorbates, and the physical and chemical properties of the molecules cannot be expected any longer to be the same as in solution phase. In recent years, a number of groups around the world have started tackling the problem of the adsorption, self- assembly and electronic and chemical properties of organic species which interact rather strongly with the surface, and for which charge-transfer must be considered. The picture that is emerging shows that charge transfer can lead to a plethora of new phenomena, from the development of delocalized band-like electron states at molecular overlayers, to the existence of new substrate-mediated intermolecular interactions or the strong modification of the chemical

  16. Effective potentials for charge-helium and charge-singly-ionized helium interactions in a dense plasma

    Energy Technology Data Exchange (ETDEWEB)

    Ramazanov, T.S.; Amirov, S.M.; Moldabekov, Zh.A. [Institute for Experimental and Theoretical Physics, Al-Farabi Kazakh National University, Almaty (Kazakhstan)

    2016-06-15

    The effective electron (proton)-He and electron (proton)-He{sup +} screened pair interaction potentials arising as a result of partial screening of the helium nucleus field by bound electrons, taking into account both screening by free charged particles and quantum diffraction effect in dense plasmas were derived. The impact of quantum effects on screening was analyzed. It was shown that plasma polarization around the atom leads to the additional repulsion (attraction) between the electron (proton) and the helium atom. The method of constructing the full electron (proton)-He and electron (proton)-He{sup +} screened pair interaction potentials as the sum of the derived potentials with the polarization potential and exchange potential is discussed. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Single material solar cells: the next frontier for organic photovoltaics?

    Energy Technology Data Exchange (ETDEWEB)

    Roncali, Jean [Group Linear Conjugated Systems, CNRS, Moltech-Anjou, UMR 6200, University of Angers, 2 Bd Lavoisier 49045 Angers (France)

    2011-03-18

    An overview of various approaches for the realization of single-material organic solar cells (SMOCs) is presented. Fullerene-conjugated systems dyads, di-block copolymers, and self-organized donor-acceptor molecules all represent different possible approaches towards SMOCs. Although each of them presents specific advantages and poses specific problems of design and synthesis, these different routes have witnessed significant progress in the past few years and SMOCs with efficiencies in the range of 1.50% have been realized. These performances are already higher than those of bi-component bulk heterojunction solar cells some ten years ago, demonstrating that SMOCs can represent a credible approach towards efficient and simple organic solar cells. Possible directions for future research are discussed with the aim of stimulating further research on this exciting topic. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Micro-Strain and Self Organization of Localized Charges in Copper Oxides

    Science.gov (United States)

    Bianconi, A.; Campi, G.; Agrestini, S.; di Castro, D.; Filippi, M.; Dell'Omo, C.

    2003-06-01

    It has been recently shown that local lattice distortions in complex oxides are intimately related with the micro-strain in the electronically active structural element, as the CuO2 plane of doped copper oxide superconductors. In fact, the microstrain of the Cu-O bond controls the electron-lattice interaction. Here we have investigated charge ordering in an oxygen doped La2CuO4.1 crystal by high-resolution x-ray diffraction using synchrotron radiation. Thanks to the high brilliance synchrotron radiation it has been possible to record a large number of weak superstructure spots due to charge ordering around the main peaks of the average structure. A study of the charge modulations with stage 3.5, and their behavior as a function of the intensity of the x-ray incident flux is reported. Using an approach based on joint x-ray photo-excitation and x-ray diffraction we are able to see the self organization of photo-doped charges into short range polaron striped bubbles (a 2D superstructure q3) and a 3D polaron crystal of strings (a 3D superstructure q4).

  19. Effects of Charge-Transfer Excitons on the Photophysics of Organic Semiconductors

    Science.gov (United States)

    Hestand, Nicholas J.

    The field of organic electronics has received considerable attention over the past several years due to the promise of novel electronic materials that are cheap, flexible and light weight. While some devices based on organic materials have already emerged on the market (e.g. organic light emitting diodes), a deeper understanding of the excited states within the condensed phase is necessary both to improve current commercial products and to develop new materials for applications that are currently in the commercial pipeline (e.g. organic photovoltaics, wearable displays, and field effect transistors). To this end, a model for pi-conjugated molecular aggregates and crystals is developed and analyzed. The model considers two types of electronic excitations, namely Frenkel and charge-transfer excitons, both of which play a prominent role in determining the nature of the excited states within tightly-packed organic systems. The former consist of an electron-hole pair bound to the same molecule while in the later the electron and hole are located on different molecules. The model also considers the important nuclear reorganization that occurs when the system switches between electronic states. This is achieved using a Holstein-style Hamiltonian that includes linear vibronic coupling of the electronic states to the nuclear motion associated with the high frequency vinyl-stretching and ring-breathing modes. Analysis of the model reveals spectroscopic signatures of charge-transfer mediated J- and H-aggregation in systems where the photophysical properties are determined primarily by charge-transfer interactions. Importantly, such signatures are found to be sensitive to the relative phase of the intermolecular electron and hole transfer integrals, and the relative energy of the Frenkel and charge-transfer states. When the charge-transfer integrals are in phase and the energy of the charge-transfer state is higher than the Frenkel state, the system exhibits J

  20. Functionalization of Organic Semiconductors and Other Carbon-based Materials by Self-Assembled Monolayers (SAMs) and Charge Transport in Organic Field-effect Transistors (OFETs)

    Science.gov (United States)

    Lee, Bumsu

    In the first part of the thesis, studies of the charge carrier transport in organic semiconductors performed using organic field-effect transistors (OFETs) with polymeric gate dielectric (parylene) are presented. By combining OFET and ultraviolet photoelectron spectroscopy (UPS) studies, the effect of bias-stress instability at the semiconductor/insulator interface have been investigated and understood. The effect is understood in terms of the transfer of holes from an accumulation channel of the semiconductor to localized states of the insulator that depends on energetic overlap between HOMO band tails of the semiconductor and the insulator. Second, surface functionalization of various materials such as organic single crystals, conjugated semiconductor polymers, graphene and carbon nanotubes (CNTs) with Self-Assembled Monolayers (SAMs) is described. In most cases, an enhanced surface conductivity is observed as a result of SAM treatment. Especially, fluorinated alkyl-silane (FTS) SAM induces the highest density of p-type charge carriers (in excess of an order of 1013cm-2), which leads to a strong surface hole-doping of these materials. In this thesis, (1) the mechanism of SAM nucleation, growth process and doping effect at the surface of organic single crystals and graphene is revealed. SAM nucleation occurs predominantly at molecular step edges or defect sites present at the surface and a consecutive lateral growth proceeds by cross-linking between SAM molecules. The strong hole-doping is explained by an interfacial charge transfer that during SAM formation. In addition, conductive atomic force microscopy (C-AFM) confirms that conducting paths along the step edges are formed by FTS nucleation at the early stage of FTS growth on rubrene. (2) it is reported that conductivity of solution-deposited thin film of conjugated polymers increases by up to six orders of magnitude, reaching (1.1 ± 0.1) × 103 Scm-1 for poly (2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b

  1. Controlling charges distribution at the surface of a single GaN nanowire by in-situ strain

    Directory of Open Access Journals (Sweden)

    Xiao Chen

    2017-08-01

    Full Text Available Effect of the strain on the charge distribution at the surface of a GaN semiconductor nanowire (NW has been investigated inside transmission electron microscope (TEM by in-situ off-axis electron holography. The outer and inner surfaces of the NW bent axially under compression of two Au electrodes were differently strained, resulting in difference of their Fermi levels. Consequently, the free electrons flow from the high Fermi level to the low level until the two Fermi levels aligned in a line. The potential distributions induced by charge redistribution in the two vacuum sides of the bent NW were examined respectively, and the opposite nature of the bounded charges on the outer and inner surfaces of the bent NW was identified. The results provide experimental evidence that the charge distribution at the surfaces of a single GaN NW can be controlled by different strains created along the NW.

  2. High performance organic nonvolatile memory transistors based on HfO2 and poly(α-methylstyrene) electret hybrid charge-trapping layers

    Science.gov (United States)

    Xu, W. C.; He, H. X.; Jing, X. S.; Wu, S. J.; Zhang, Z.; Gao, J. W.; Gao, X. S.; Zhou, G. F.; Lu, X. B.; Liu, J.-M.

    2017-08-01

    In this work, we fabricated a high performance flash-type organic nonvolatile memory transistor, which adopted polymer-electret poly(α-methylstyrene) (PαMS) and HfO2 films as hybrid charge trapping layer (CTL). Compared with a single HfO2 or PαMS CTL structure, the hybrid HfO2/PαMS CTL structure can provide enhanced charge trapping efficiency to increase the device operation speed and reduce the leakage current to boost the device reliability. The fabricated nonvolatile organic memory transistors with the hybrid CTL shows excellent electrical properties, including low operation voltage (8 V), high speed (erase cycles). The present work provides useful idea for the design of future low-power consumption and highly reliable organic nonvolatile memories.

  3. Charge carrier dynamics and surface plasmon interaction in gold nanorod-blended organic solar cell

    Science.gov (United States)

    Rana, Aniket; Gupta, Neeraj; Lochan, Abhiram; Sharma, G. D.; Chand, Suresh; Kumar, Mahesh; Singh, Rajiv K.

    2016-08-01

    The inclusion of plasmonic nanoparticles into organic solar cell enhances the light harvesting properties that lead to higher power conversion efficiency without altering the device configuration. This work defines the consequences of the nanoparticle overloading amount and energy transfer process between gold nanorod and polymer (active matrix) in organic solar cells. We have studied the hole population decay dynamics coupled with gold nanorods loading amount which provides better understanding about device performance limiting factors. The exciton and plasmon together act as an interacting dipole; however, the energy exchange between these two has been elucidated via plasmon resonance energy transfer (PRET) mechanism. Further, the charge species have been identified specifically with respect to their energy levels appearing in ultrafast time domain. The specific interaction of these charge species with respective surface plasmon resonance mode, i.e., exciton to transverse mode of oscillation and polaron pair to longitudinal mode of oscillations, has been explained. Thus, our analysis reveals that PRET enhances the carrier population density in polymer via non-radiative process beyond the concurrence of a particular plasmon resonance oscillation mode and polymer absorption range. These findings give new insight and reveal specifically the factors that enhance and control the performance of gold nanorods blended organic solar cells. This work would lead in the emergence of future plasmon based efficient organic electronic devices.

  4. Charge carrier dynamics and surface plasmon interaction in gold nanorod-blended organic solar cell

    International Nuclear Information System (INIS)

    Rana, Aniket; Lochan, Abhiram; Chand, Suresh; Kumar, Mahesh; Singh, Rajiv K.; Gupta, Neeraj; Sharma, G. D.

    2016-01-01

    The inclusion of plasmonic nanoparticles into organic solar cell enhances the light harvesting properties that lead to higher power conversion efficiency without altering the device configuration. This work defines the consequences of the nanoparticle overloading amount and energy transfer process between gold nanorod and polymer (active matrix) in organic solar cells. We have studied the hole population decay dynamics coupled with gold nanorods loading amount which provides better understanding about device performance limiting factors. The exciton and plasmon together act as an interacting dipole; however, the energy exchange between these two has been elucidated via plasmon resonance energy transfer (PRET) mechanism. Further, the charge species have been identified specifically with respect to their energy levels appearing in ultrafast time domain. The specific interaction of these charge species with respective surface plasmon resonance mode, i.e., exciton to transverse mode of oscillation and polaron pair to longitudinal mode of oscillations, has been explained. Thus, our analysis reveals that PRET enhances the carrier population density in polymer via non-radiative process beyond the concurrence of a particular plasmon resonance oscillation mode and polymer absorption range. These findings give new insight and reveal specifically the factors that enhance and control the performance of gold nanorods blended organic solar cells. This work would lead in the emergence of future plasmon based efficient organic electronic devices.

  5. Charge enhancement of single-stranded DNA in negative electrospray ionization using the supercharging reagent meta-nitrobenzyl alcohol.

    Science.gov (United States)

    Brahim, Bessem; Alves, Sandra; Cole, Richard B; Tabet, Jean-Claude

    2013-12-01

    Charge enhancement of single-stranded oligonucleotide ions in negative ESI mode is investigated. The employed reagent, meta-nitrobenzyl alcohol (m-NBA), was found to improve total signal intensity (Itot), increase the highest observed charge states (zhigh), and raise the average charge states (zavg) of all tested oligonucleotides analyzed in negative ESI. To quantify these increases, signal enhancement ratios (SER1%) and charge enhancement coefficients (CEC1%) were introduced. The SER1%, (defined as the quotient of total oligonucleotide ion abundances with 1% m-NBA divided by total oligonucleotide abundance without m-NBA) was found to be greater than unity for every oligonucleotide tested. The CEC1% values (defined as the average charge state in the presence of 1% m-NBA minus the average charge state in the absence of m-NBA) were found to be uniformly positive. Upon close inspection, the degree of charge enhancement for longer oligonucleotides was found to be dependent upon thymine density (i.e., the number and the location of phospho-thymidine units). A correlation between the charge enhancement induced by the presence of m-NBA and the apparent gas-phase acidity (largely determined by the sequence of thymine units but also by the presence of protons on other nucleobases) of multiply deprotonated oligonucleotide species, was thus established. Ammonium cations appeared to be directly involved in the m-NBA supercharging mechanism, and their role seems to be consistent with previously postulated ESI mechanisms describing desorption/ionization of single-stranded DNA into the gas phase.

  6. Charge Enhancement of Single-Stranded DNA in Negative Electrospray Ionization Using the Supercharging Reagent Meta-nitrobenzyl Alcohol

    Science.gov (United States)

    Brahim, Bessem; Alves, Sandra; Cole, Richard B.; Tabet, Jean-Claude

    2013-12-01

    Charge enhancement of single-stranded oligonucleotide ions in negative ESI mode is investigated. The employed reagent, meta-nitrobenzyl alcohol (m-NBA), was found to improve total signal intensity (Itot), increase the highest observed charge states (zhigh), and raise the average charge states (zavg) of all tested oligonucleotides analyzed in negative ESI. To quantify these increases, signal enhancement ratios (SER1%) and charge enhancement coefficients (CEC1%) were introduced. The SER1%, (defined as the quotient of total oligonucleotide ion abundances with 1 % m-NBA divided by total oligonucleotide abundance without m-NBA) was found to be greater than unity for every oligonucleotide tested. The CEC1% values (defined as the average charge state in the presence of 1 % m-NBA minus the average charge state in the absence of m-NBA) were found to be uniformly positive. Upon close inspection, the degree of charge enhancement for longer oligonucleotides was found to be dependent upon thymine density (i.e., the number and the location of phospho-thymidine units). A correlation between the charge enhancement induced by the presence of m-NBA and the apparent gas-phase acidity (largely determined by the sequence of thymine units but also by the presence of protons on other nucleobases) of multiply deprotonated oligonucleotide species, was thus established. Ammonium cations appeared to be directly involved in the m-NBA supercharging mechanism, and their role seems to be consistent with previously postulated ESI mechanisms describing desorption/ionization of single-stranded DNA into the gas phase.

  7. A Single-Phase Transformerless Inverter With Charge Pump Circuit Concept for Grid-Tied PV Applications

    DEFF Research Database (Denmark)

    Ardashir, Jaber Fallah; Sabahi, Mehran; Hosseini, Seyed Hossein

    2017-01-01

    This paper proposes a new single-phase transformerless photovoltaic (PV) inverter for grid-tied PV systems. The topology is derived from the concept of a charge pump circuit in order to eliminate the leakage current. It is composed of four power switches, two diodes, two capacitors, and an LCL ou...

  8. Development of a Charged Particle Microbeam for Single-Particle Subcellular Irradiations at the MIT Laboratory for Accelerator Beam Application

    International Nuclear Information System (INIS)

    Yanch, Jacquelyn C.

    2004-01-01

    The development of a charged particle microbeam for single particle, subcellular irradiations at the Massachusetts Institute of Technology Laboratory for Accelerator Beam Applications (MIT LABA) was initiated under this NEER aeard. The Microbeam apparatus makes use of a pre-existing electrostatic accelerator with a horizontal beam tube

  9. Organic 2D Optoelectronic Crystals: Charge Transport, Emerging Functions, and Their Design Perspective.

    Science.gov (United States)

    Park, Sang Kyu; Kim, Jin Hong; Park, Soo Young

    2018-04-16

    2D organic semiconductor crystals are emerging as a fascinating platform with regard to their applications in organic field-effect transistors (OFETs), attributed to their enhanced charge transport efficiency and their new optoelectronic functions, based on their unique morphological features. Advances in material processing techniques have not only enabled easy fabrication of few-monolayered 2D nanostructures but also facilitated exploration of the interesting properties induced by characteristic 2D morphologies. However, to date, only a limited number of representative organic semiconductors have been utilized in organic 2D optoelectronics. Therefore, in order to further spur this research, an intuitive crystal engineering principle for realizing organic 2D crystals is required. In this regard, here, not only the important implications of applying 2D structures to OFET devices are discussed but also a crystal engineering protocol is provided that first predicts molecular arrangements depending on the molecular factors, which is followed by realizing 2D supramolecular synthon networks for different molecular packing motifs. It is expected that 2D organic semiconductor crystals developed by this approach will pave a promising way toward next-generation organic 2D optoelectronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Energy Technology Data Exchange (ETDEWEB)

    Heeger, Alan [Univ. of California, Santa Barbara, CA (United States); Bazan, Guillermo [Univ. of California, Santa Barbara, CA (United States); Nguyen, Thuc-Quyen [Univ. of California, Santa Barbara, CA (United States); Wudl, Fred [Univ. of California, Santa Barbara, CA (United States)

    2015-02-12

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

  11. Structural influences on charge carrier dynamics for small-molecule organic photovoltaics

    Science.gov (United States)

    Wang, Zhiping; Miyadera, Tetsuhiko; Saeki, Akinori; Zhou, Ying; Seki, Shu; Shibata, Yosei; Yamanari, Toshihiro; Matsubara, Koji; Yoshida, Yuji

    2014-07-01

    We investigated the structural influences on the charge carrier dynamics in zinc phthalocyanine/fullerene (ZnPc/C60) photovoltaic cells by introducing poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) and 2,5-bis(4-biphenylyl)-bithiophene (BP2T) between indium tin oxide and ZnPc layers. ZnPc films can be tuned to be round, long fiber-like, and short fiber-like structure, respectively. Time-resolved microwave conductivity measurements reveal that charge carrier lifetime in ZnPc/C60 bilayer films is considerably affected by the intra-grain properties. Transient photocurrent of ZnPc single films indicated that the charge carriers can transport for a longer distance in the long fiber-like grains than that in the round grains, due to the greatly lessened grain boundaries. By carefully controlling the structure of ZnPc films, the short-circuit current and fill factor of a ZnPc/C60 heterojunction solar cell with BP2T are significantly improved and the power conversion efficiency is increased to 2.6%, which is 120% larger than the conventional cell without BP2T.

  12. Structural influences on charge carrier dynamics for small-molecule organic photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhiping, E-mail: wang-zhiping@aist.go.jp; Shibata, Yosei; Yamanari, Toshihiro; Matsubara, Koji; Yoshida, Yuji [Research Center for Photovoltaic Technologies, National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 5, 1-1-1 Higashi, 305-8565 Tsukuba (Japan); Miyadera, Tetsuhiko, E-mail: tetsuhiko-miyadera@aist.go.jp [Research Center for Photovoltaic Technologies, National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 5, 1-1-1 Higashi, 305-8565 Tsukuba (Japan); JST-PRESTO, Japan Science and Technology Agency (JST), 4-1-8 Honcho Kawaguchi, 332-0012 Saitama (Japan); Saeki, Akinori; Seki, Shu [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, 565-0871 Suita, Osaka (Japan); Zhou, Ying [Electronics and Photonics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 5, 1-1-1 Higashi, 305-8565 Tsukuba (Japan)

    2014-07-07

    We investigated the structural influences on the charge carrier dynamics in zinc phthalocyanine/fullerene (ZnPc/C{sub 60}) photovoltaic cells by introducing poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) and 2,5-bis(4-biphenylyl)-bithiophene (BP2T) between indium tin oxide and ZnPc layers. ZnPc films can be tuned to be round, long fiber-like, and short fiber-like structure, respectively. Time-resolved microwave conductivity measurements reveal that charge carrier lifetime in ZnPc/C{sub 60} bilayer films is considerably affected by the intra-grain properties. Transient photocurrent of ZnPc single films indicated that the charge carriers can transport for a longer distance in the long fiber-like grains than that in the round grains, due to the greatly lessened grain boundaries. By carefully controlling the structure of ZnPc films, the short-circuit current and fill factor of a ZnPc/C{sub 60} heterojunction solar cell with BP2T are significantly improved and the power conversion efficiency is increased to 2.6%, which is 120% larger than the conventional cell without BP2T.

  13. Mode-selective vibrational modulation of charge transport in organic electronic devices

    KAUST Repository

    Bakulin, Artem A.

    2015-08-06

    The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained elusive. Here we demonstrate experimentally that photoconductivity in a model organic optoelectronic device can be modulated by the selective excitation of molecular vibrations. Using an ultrafast infrared laser source to create a coherent superposition of vibrational motions in a pentacene/C60 photoresistor, we observe that excitation of certain modes in the 1,500–1,700 cm−1 region leads to photocurrent enhancement. Excited vibrations affect predominantly trapped carriers. The effect depends on the nature of the vibration and its mode-specific character can be well described by the vibrational modulation of intermolecular electronic couplings. This presents a new tool for studying electron–phonon coupling and charge dynamics in (bio)molecular materials.

  14. Determination of charge transport activation energy and injection barrier in organic semiconductor devices

    Science.gov (United States)

    Züfle, S.; Altazin, S.; Hofmann, A.; Jäger, L.; Neukom, M. T.; Brütting, W.; Ruhstaller, B.

    2017-09-01

    Charge carrier transport in organic semiconductor devices is thermally activated with characteristic activation energies in the range of 0.2-0.6 eV, leading to strongly temperature-dependent behaviour. For designing efficient organic semiconductor materials and devices, it is therefore indispensable to understand the origin of these activation energies. We propose that in bilayer organic light-emitting diodes (OLEDs) employing a polar electron transport layer, as well as in metal-insulator-semiconductor (MIS) devices, the hole injection barrier Einj and the hole mobility activation energy Eμ can be decoupled from each other if temperature-dependent capacitance-frequency (C-f-T) and MIS-CELIV (charge extraction by linearly increasing voltage) experiments are combined. While the C-f-T signal contains information of both injection and transport, the CELIV current is expected to be insensitive to the electrode injection properties. We employ numerical drift-diffusion simulations to investigate the accuracy of this analytical parameter extraction approach and to develop criteria for its validity. We show that the implicit assumption of constant charge density and field profiles leads to systematic errors in determining the activation energies. Thus, one should be aware of the intrinsic limitations of the analytical Arrhenius fit, and for more accurate parameter determination a full drift-diffusion modelling is advised. Applying the analytical method to a standard bilayer OLED, we find that the total activation energy of 0.5 eV for the hole current can be split into contributions of ≈0.25 eV each for injection barrier and mobility. Finally, we also discuss the broader applicability of this method for other device stacks and material combinations.

  15. Effects of Charge Balance and Exciton Confinement on the Operational Lifetime of Blue Phosphorescent Organic Light-Emitting Diodes

    Science.gov (United States)

    Coburn, Caleb; Forrest, Stephen R.

    2017-04-01

    We measure the contribution of loss of charge balance and exciton confinement in the emission zone to the operational lifetime of blue phosphorescent organic light-emitting diodes (PHOLEDs). Charge balance and exciton confinement are monitored as functions of time by measuring the emission intensity of either phosphorescent or fluorescent red-emitting "sensing" layers embedded within the charge-transport layers outside of the emission zone. We find no significant change in charge balance over the lifetime of the device, while loss of exciton confinement accounts for <5 % of luminance loss, confirming that degradation is primarily due to decomposition of molecular constituents within the emission layer of the PHOLED.

  16. Molecular simulation of flavin adenine dinucleotide immobilized on charged single-walled carbon nanotubes for biosensor applications.

    Science.gov (United States)

    Yang, Guang; Kang, Zhengzhong; Ye, Xuesong; Wu, Tao; Zhu, Qin

    2012-12-01

    The reconstitution of apo-glucose oxidase (apo-GOx) on single-walled carbon nanotubes (SWNTs) functionalized with the cofactor, flavin adenine dinucleotide (FAD), greatly improved electron transfer turnover rate of the redox reactions in glucose sensing with glucose sensors. The research reported here is aimed to better understand molecular details of affection of the charging SWNT to the conformational changes of FAD, in order to find a rational design and selection scheme of SWNT which is suitable for the FAD and apo-GOx to perform their reconstitution. In this report, molecular simulations of FAD functionalized differently charged SWNTs were carried outin an aqueous environment, with counterions to maintain total charge neutrality. The conformation and orientation changes were observed by both trajectory and quantitative analyses. The simulation results showed that in both uncharged and positively charged SWNT situations, FAD adsorbed onto SWNT at the end of the simulations, which increased the steric resistance of molecules and hindered the reconstitution of apo-GOx and FAD to some degree. By contrast, FAD functionalized negatively charged SWNT maintained its original conformation largely. In addition, negatively charged SWNT may be the best choice for electron transfer mediator for the reconstitution of apo-GOx on relay-cofactor units associated with electrodes. Copyright © 2012 Elsevier Ltd. All rights reserved.

  17. The effect of interfacial layers on charge transport in organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Mbuyise, Xolani G.; Tonui, Patrick; Mola, Genene Tessema, E-mail: mola@ukzn.ac.za

    2016-09-01

    The effect of interfacial buffer layers in organic photovoltaic cell (OPV) whose active layer is composed of poly(3 hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blend was studied. The electrical properties of OPV devices produced with and without interfacial layers are compared and discussed in terms of measured parameters of the cells. The charge transport properties showed significant difference on the mobility and activation factor between the two types of device structures. The life time measurements in the unprotected conditions are also presented and discussed.

  18. On electrode pinning and charge blocking layers in organic solar cells

    Science.gov (United States)

    Magen, Osnat; Tessler, Nir

    2017-05-01

    We use device modelling for studying the losses introduced by metallic electrodes in organic solar cells' device structure. We first discuss the inclusion of pinning at the integer charge transfer state in device models, with and without using the image charge potential. In the presence of disorder, the space charge introduced due to the image potential enhances the pinning by more than 0.2 eV. The explicit introduction of the image potential creates band-gap narrowing at the contact, thus affecting both dark leakage current and photo conversion efficiency. We find that there are two regimes in which the contacts may limit the performance. For low (moderate) barriers, the contacts introduce minority carrier recombination at the contacts that adds to the bulk recombination channels. Only for high barriers, the contacts directly limit the open circuit voltage and impose a value that is equal to the contact's energy difference. Examining the device structures with blocking layers, we find that these are mainly useful for the low to moderate contacts' barriers and that for the high barrier case, the enhancement of open circuit voltage may be accompanied by the introduction of serial resistance or S shape.

  19. Transparent Flash Memory using Single Ta2O5 Layer for both Charge Trapping and Tunneling Dielectrics

    KAUST Repository

    Hota, Mrinal Kanti

    2017-06-08

    We report reproducible multibit transparent flash memory in which a single solution-derived Ta2O5 layer is used simultaneously as charge trapping and tunneling layer. This is different from conventional flash cells, where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ~10 V. Moreover, the flash memory device shows a stable 2-bit memory performance, good reliability, including data retention for more than 104 sec and endurance performance for more than 100 cycles. The use of a common charge trapping and tunneling layer can simplify advanced flash memory fabrication.

  20. Charge integration successive approximation analog-to-digital converter for focal plane applications using a single amplifier

    Science.gov (United States)

    Zhou, Zhimin (Inventor); Pain, Bedabrata (Inventor)

    1999-01-01

    An analog-to-digital converter for on-chip focal-plane image sensor applications. The analog-to-digital converter utilizes a single charge integrating amplifier in a charge balancing architecture to implement successive approximation analog-to-digital conversion. This design requires minimal chip area and has high speed and low power dissipation for operation in the 2-10 bit range. The invention is particularly well suited to CMOS on-chip applications requiring many analog-to-digital converters, such as column-parallel focal-plane architectures.

  1. Chemical Control of Charge Trapping and Charge Transfer Processes at the Organic-Inorganic Interface within Quantum Dot-Organic Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Weiss, Emily A. [Northwestern Univ., Evanston, IL (United States)

    2015-11-06

    Within the research program funded through the Early Career Research Award we designed complexes of colloidal semiconductor quantum dots (QDs) and organic molecules in which the interfacial chemistry controls the electronic structure and dynamics of the excitonic state of the QD. The program included two main projects; (1) investigation of the mechanisms by which organic surfactants control the quantum confinement of excitonic charge carriers; and (2) development of models for electron transfer between QDs and adsorbed molecules as a function of interfacial chemistry. This project was extremely successful in that our achievements in those two areas addressed the great majority of questions we outlined in the original proposal and answered questions I did not think to ask in that original proposal. Our work led to the discovery of “exciton delocalizing ligands”, which change the electronic structure of colloidal semiconductor nanocrystals by altering, with small synthetic modifications to their surfaces, their most defining characteristic – the quantum confinement of their excited states. It also led to detailed, quantitative descriptions of how the surface chemistry of a QD dictates, thermodynamically and kinetically, the probability of exchange of electrons between the QD and a small molecule. We used two of the three major techniques in the proposal (transient photoluminescence and transient absorption). Electrogenerated chemiluminescence was also proposed, but was too technically difficult with these systems to be useful. Instead, NMR spectroscopy emerged as a major analytical tool in our studies. With the fundamental advancements we made with this project, we believe that we can design QDs to be the next great class of visible-light photocatalysts.

  2. Measurement of Muon Neutrino Charged Current Single $\\pi^0$ Production on Hydrocarbon using MINERvA

    Energy Technology Data Exchange (ETDEWEB)

    Altinok, Ozgur [Tufts Univ., Medford, MA (United States)

    2017-01-01

    A sample of charged-current single pion production events for the semi- exclusive channel νµ + CH → µ-π0 + nucleon(s) has been obtained using neutrino exposures of the MINERvA detector. Differential cross sections for muon momentum, muon production angle, pion momentum, pion production angle, and four-momentum transfer square Q2 are reported and are compared to a GENIE-based simulation. The cross section versus neutrino energy is also re- ported. The effects of pion final-state interactions on these cross sections are investigated. The effect of baryon resonance suppression at low Q2 is examined and an event re-weight used by two previous experiments is shown to improve the data versus simulation agreement. The differential cross sections for Q2 for Eν < 4.0 GeV and Eν ≥ 4.0 GeV are examined and the shapes of these distributions are compared to those from the experiment’s $\\bar{v}$µ-CC (π0) measurement. The polarization of the pπ0 system is measured and compared to the simulation predictions. The hadronic invariant mass W distribution is examined for evidence of resonance content, and a search is reported for evidence of a two-particle two-hole (2p2h) contribution. All of the differential cross-section measurements of this Thesis are compared with published MINERvA measurements for νµ-CC (π+) and \\bar{v}$µ-CC (π0) processes.

  3. Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective.

    Science.gov (United States)

    Maiti, Buddhadev; Schubert, Alexander; Sarkar, Sunandan; Bhandari, Srijana; Wang, Kunlun; Li, Zhe; Geva, Eitan; Twieg, Robert J; Dunietz, Barry D

    2017-10-01

    Selective fluorination of organic semiconducting molecules is proposed as a means to achieving enhanced hole mobility. Naphthalene is examined here as a root molecular system with fluorination performed at various sites. Our quantum chemical calculations show that selective fluorination can enhance attractive intermolecular interactions while reducing charge trapping. Those observations suggest a design principle whereby fluorination is utilized for achieving high charge mobilities in the crystalline form. The utility of this design principle is demonstrated through an application to perylene, which is an important building block of organic semiconducting materials. We also show that a quantum mechanical perspective of nuclear degrees of freedom is crucial for a reliable description of charge transport.

  4. Combined effects of space charge and energetic disorder on photocurrent efficiency loss of field-dependent organic photovoltaic devices

    International Nuclear Information System (INIS)

    Yoon, Sangcheol; Hwang, Inchan; Park, Byoungchoo

    2015-01-01

    The loss of photocurrent efficiency by space-charge effects in organic solar cells with energetic disorder was investigated to account for how energetic disorder incorporates space-charge effects, utilizing a drift-diffusion model with field-dependent charge-pair dissociation and suppressed bimolecular recombination. Energetic disorder, which induces the Poole–Frenkel behavior of charge carrier mobility, is known to decrease the mobility of charge carriers and thus reduces photovoltaic performance. We found that even if the mobilities are the same in the absence of space-charge effects, the degree of energetic disorder can be an additional parameter affecting photocurrent efficiency when space-charge effects occur. Introducing the field-dependence parameter that reflects the energetic disorder, the behavior of efficiency loss with energetic disorder can differ depending on which charge carrier is subject to energetic disorder. While the energetic disorder that is applied to higher-mobility charge carriers decreases photocurrent efficiency further, the efficiency loss can be suppressed when energetic disorder is applied to lower-mobility charge carriers. (paper)

  5. Study on spin and charge fluctuations in {tau} -type organic conductor

    Energy Technology Data Exchange (ETDEWEB)

    Aizawa, Hirohito [Institute of Physics, Kanagawa University, Yokohama 221-8686 (Japan); Kuroki, Kazuhiko [Department of Engineering Science, The University of Electro-Communications, Chofu, Tokyo 182-8585 (Japan)

    2012-05-15

    We theoretically study the possibility of the ferromagnetic behavior in a quasi-two-dimensional organic conductor, {tau} -(EDO-S,S -DMEDT-TTF){sub 2}(AuBr{sub 2}){sub 1+y} with y {approx} 0.875. We adopt a two-band extended Hubbard model, whose band dispersion nicely reproduces the ab initio band structure. We consider both on-site and nearest neighbor off-site repulsive interactions. By applying the random phase approximation, we find that both spin and charge susceptibilities are maximized at Q = (0, 0). Although this can be an indication of pure antiferromagnetism since two sites are present in a unit cell, the divergence of the susceptibilities at the origin of the k -space can also be related to the ferromagnetic behavior observed in this organic conductor. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. High-resolution charge carrier mobility mapping of heterogeneous organic semiconductors

    Science.gov (United States)

    Button, Steven W.; Mativetsky, Jeffrey M.

    2017-08-01

    Organic electronic device performance is contingent on charge transport across a heterogeneous landscape of structural features. Methods are therefore needed to unravel the effects of local structure on overall electrical performance. Using conductive atomic force microscopy, we construct high-resolution out-of-plane hole mobility maps from arrays of 5000 to 16 000 current-voltage curves. To demonstrate the efficacy of this non-invasive approach for quantifying and mapping local differences in electrical performance due to structural heterogeneities, we investigate two thin film test systems, one bearing a heterogeneous crystal structure [solvent vapor annealed 5,11-Bis(triethylsilylethynyl)anthradithiophene (TES-ADT)—a small molecule organic semiconductor] and one bearing a heterogeneous chemical composition [p-DTS(FBTTh2)2:PC71BM—a high-performance organic photovoltaic active layer]. TES-ADT shows nearly an order of magnitude difference in hole mobility between semicrystalline and crystalline areas, along with a distinct boundary between the two regions, while p-DTS(FBTTh2)2:PC71BM exhibits subtle local variations in hole mobility and a nanoscale domain structure with features below 10 nm in size. We also demonstrate mapping of the built-in potential, which plays a significant role in organic light emitting diode and organic solar cell operation.

  7. Investigation of the dimensionality of charge transport in organic field effect transistors

    Science.gov (United States)

    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.

  8. Intra-molecular Charge Transfer and Electron Delocalization in Non-Fullerene Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Qinghe; Zhao, Donglin; Goldey, Matthew B.; Filatov, Alexander S.; Sharapov, Valerii; Colon, Yamil; Cai, Zhengxu; Jiang, Xuanfeng; Wang, Junpeng; Chen, Wei; de Pablo, Juan; Galli, Giulia; Yu, Luping

    2018-03-28

    Two types of electron acceptors were synthesized by coupling two kinds of electron-rich cores with four equivalent perylene diimides (PDIs) at the a position. With fully aromatic cores, TPB and TPSe have pi-orbitals spread continuously over the whole aromatic conjugated backbone, unlike TPC and TPSi, which contain isolated PDI units due to the use of a tetrahedron carbon or silicon linker. Density functional theory calculations of the projected density of states showed that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) for TPB are localized in separate regions of space. Further, the LUMO of TPB shows a greater contribution from the orbitals belonging to the connective core of the molecules than that of TPC. Overall, the properties of the HOMO and LUMO point at increased intra-molecular delocalization of negative charge carriers for TPB and TPSe than for TPC and TPSi and hence at a more facile intra-molecular charge transfer for the former. The film absorption and emission spectra showed evidences for the inter -molecular electron delocalization in TPB and TPSe, which is consistent with the network structure revealed by X-ray diffraction studies on single crystals of TPB. These features benefit the formation of charge transfer states and/or facilitate charge transport. Thus, higher electron mobility and higher charge dissociation probabilities under J(sc) condition were observed in blend films of TPB:PTB7-Th and TPSe:PTB7-Th than those in TPC:PTB7Th and TPSi:PTB7-Th blend films. As a result, the J(sc) and fill factor values of 15.02 mA/cm(2), 0.58 and 14.36 mA/cm(2), 0.55 for TPB- and TPSe-based solar cell are observed, whereas those for TPC and TPSi are 11.55 mA/cm2, 0.47 and 10.35 mA/cm(2), 0.42, respectively.

  9. Liver transplantation using organs from deceased organ donors: a single organ transplant center experience.

    Science.gov (United States)

    Han, Ming; Guo, Zhi-Yong; Zhao, Qiang; Wang, Xiao-Ping; Yuan, Xiao-Peng; Jiao, Xing-Yuan; Yang, Chun-Hua; Wang, Dong-Ping; Ju, Wei-Qiang; Wu, Lin-Wei; Hu, An-Bin; Tai, Qiang; Ma, Yi; Zhu, Xiao-Feng; He, Xiao-Shun

    2014-08-01

    In 2011, a pilot program for deceased organ donation was initiated in China. We describe the first successful series of liver transplants in the pilot program. From July 2011 to August 2012, our center performed 26 liver transplants from a pool of 29 deceased donors. All organ donation and allograft procurement were conducted according to the national protocol. The clinical data of donors and recipients were collected and summarized retrospectively. Among the 29 donors, 24 were China Category II donors (organ donation after cardiac death), and five were China Category III donors (organ donation after brain death followed by cardiac death). The recipients were mainly the patients with hepatocellular carcinoma. The one-year patient survival rate was 80.8% with a median follow-up of 422 (2-696) days. Among the five mortalities during the follow-up, three died of tumor recurrence. In terms of post-transplant complications, 9 recipients (34.6%) experienced early allograft dysfunction, 1 (3.8%) had non-anastomotic biliary stricture, and 1 (3.8%) was complicated with hepatic arterial thrombosis. None of these complications resulted in patient death. Notably, primary non-function was not observed in any of the grafts. With careful donor selection, liver transplant from deceased donors can be performed safely and plays a critical role in overcoming the extreme organ shortage in China.

  10. Organic carbon in Hanford single-shell tank waste

    International Nuclear Information System (INIS)

    Toth, J.J.; Willingham, C.E.; Heasler, P.G.; Whitney, P.D.

    1994-07-01

    This report documents an analysis performed by Pacific Northwest Laboratory (PNL) involving the organic carbon laboratory measurement data for Hanford single-shell tanks (SSTS) obtained from a review of the laboratory analytical data. This activity was undertaken at the request of Westinghouse Hanford Company (WHC). The objective of this study is to provide a best estimate, including confidence levels, of total organic carbon (TOC) in each of the 149 SSTs at Hanford. The TOC analyte information presented in this report is useful as part of the criteria to identify SSTs for additional measurements or monitoring for the organic safety program. This report is a precursor to an investigation of TOC and moisture in Hanford SSTS, in order to provide best estimates for each together in one report. Measured laboratory data were obtained for 75 of the 149 SSTS. The data represent a thorough investigation of data from 224 tank characterization datasets, including core-sampling and process laboratory data. Liquid and solid phase TOC values were investigated by examining selected tanks with both reported TOC values in solid and liquid phases. Some relationships were noted, but there was no clustering of data or significance between the solid and liquid phases. A methodology was developed for estimating the distribution and levels of TOC in SSTs using a logarithmic scale and an analysis of variance (ANOVA) technique. The methodology grouped tanks according to waste type using the Sort On Radioactive Waste Type (SORWT) grouping method. The SORWT model categorizes Hanford SSTs into groups of tanks expected to exhibit similar characteristics based on major waste types and processing histories. The methodology makes use of laboratory data for the particular tank and information about the SORWT group of which the tank is a member. Recommendations for a simpler tank grouping strategy based on organic transfer records were made

  11. Ionization in matrix-assisted laser desorption/ionization: singly charged molecular ions are the lucky survivors.

    Science.gov (United States)

    Karas, M; Glückmann, M; Schäfer, J

    2000-01-01

    A new model for the ionization processes in UV matrix-assisted laser desorption/ionization (MALDI) which accounts for the major phenomena observed is presented and discussed. The model retains elements of earlier approaches, such as photoionization and photochemical reactions, but it redefines these in the light of new working questions, most importantly why only singly charged ions are detected. Based on experimental evidence, the formation of singly and multiply charged clusters by a deficiency/excess of ions and also by photoionization and subsequent photochemical processes is pointed out to be the major ionization processes, which typically occur in parallel. The generation of electrons and their partial loss into the surrounding vacuum and solid, on the one hand, results in a positively charged ion-neutral plume facilitating a high overall ionization yield. On the other hand, these electrons, and also the large excess of protonated matrix ions in the negative ion mode, induce effective ion reneutralization in the plume. These neutralization processes are most effective for the highly charged cluster ions initially formed. Their fragmentation behaviour is evidenced in fast metastable fragmentation characteristics and agrees well with an electron capture dissociation mechanism and the enthalpy transfer upon neutralization forms the rationale for the prominent fragmentation and intense chemical noise accompanying successful MALDI. Within the course of the paper, cross-correlations with other desorption/ionization techniques and with earlier discussions on their mechanisms are drawn. Copyright 2000 John Wiley & Sons, Ltd.

  12. Effect of body biasing on single-event induced charge collection in deep N-well technology

    International Nuclear Information System (INIS)

    Ding Yi; Hu Jian-Guo; Tan Hong-Zhou; Qin Jun-Rui

    2015-01-01

    As the device size decreases, the soft error induced by space ions is becoming a great concern for the reliability of integrated circuits (ICs). At present, the body biasing technique is widely used in highly scaled technologies. In the paper, using the three-dimensional technology computer-aided design (TCAD) simulation, we analyze the effect of the body biasing on the single-event charge collection in deep N-well technology. Our simulation results show that the body biasing mainly affects the behavior of the source, and the effect of body biasing on the charge collection for the nMOSFET and pMOSFET is quite different. For the nMOSFET, the RBB will increase the charge collection, while the FBB will reduce the charge collection. For the pMOSFET, the effect of RBB on the SET pulse width is small, while the FBB has an adverse effect. Moreover, the differenceof the effect of body biasing on the charge collection is compared in deep N-well and twin well. (paper)

  13. High-Performance Nonvolatile Organic Field-Effect Transistor Memory Based on Organic Semiconductor Heterostructures of Pentacene/P13/Pentacene as Both Charge Transport and Trapping Layers.

    Science.gov (United States)

    Li, Wen; Guo, Fengning; Ling, Haifeng; Zhang, Peng; Yi, Mingdong; Wang, Laiyuan; Wu, Dequn; Xie, Linghai; Huang, Wei

    2017-08-01

    Nonvolatile organic field-effect transistor (OFET) memory devices based on pentacene/ N , N '-ditridecylperylene-3,4,9,10-tetracarboxylic diimide (P13)/pentacene trilayer organic heterostructures have been proposed. The discontinuous n-type P13 embedded in p-type pentacene layers can not only provide electrons in the semiconductor layer that facilitates electron trapping process; it also works as charge trapping sites, which is attributed to the quantum well-like pentacene/P13/pentacene organic heterostructures. The synergistic effects of charge trapping in the discontinuous P13 and the charge-trapping property of the poly(4-vinylphenol) (PVP) layer remarkably improve the memory performance. In addition, the trilayer organic heterostructures have also been successfully applied to multilevel and flexible nonvolatile memory devices. The results provide a novel design strategy to achieve high-performance nonvolatile OFET memory devices and allow potential applications for different combinations of various organic semiconductor materials in OFET memory.

  14. Single Molecule Study of DNA Organization and Recombination

    Science.gov (United States)

    Xiao, Botao

    We have studied five projects related to DNA organization and recombination using mainly single molecule force-spectroscopy and statistical tools. First, HU is one of the most abundant DNA-organizing proteins in bacterial chromosomes and participates in gene regulation. We report experiments that study the dependence of DNA condensation by HU on force, salt and HU concentration. A first important result is that at physiological salt levels, HU only bends DNA, resolving a previous paradox of why a chromosome-compacting protein should have a DNA-stiffening function. A second major result is quantitative demonstration of strong dependencies of HU-DNA dissociation on both salt concentration and force. Second, we have used a thermodynamic Maxwell relation to count proteins driven off large DNAs by tension, an effect important to understanding DNA organization. Our results compare well with estimates of numbers of proteins HU and Fis in previous studies. We have also shown that a semi-flexible polymer model describes our HU experimental data well. The force-dependent binding suggests mechano-chemical mechanisms for gene regulation. Third, the elusive role of protein H1 in chromatin has been clarified with purified H1 and Xenopus extracts. We find that H1 compacts DNA by both bending and looping. Addition of H1 enhances chromatin formation and maintains the plasticity of the chromatin. Fourth, the topology and mechanics of DNA twisting are critical to DNA organization and recombination. We have systematically measured DNA extension as a function of linking number density from 0.08 to -2 with holding forces from 0.2 to 2.4 pN. Unlike previous proposals, the DNA extension decreases with negative linking number. Finally, DNA recombination is a dynamic process starting from enzyme-DNA binding. We report that the Int-DBD domain of lambda integrase binds to DNA without compaction at low Int-DBD concentration. High concentration of Int-DBD loops DNA below a threshold force

  15. Magnetic field effects and self-assembled n-type nanostructures to increase charge collection in organic photovoltaics

    Science.gov (United States)

    Carter, Austin Roberts

    Photovoltaics, the direct conversion of light energy to electrical energy, offers access to perhaps the best source of clean renewable energy: the sun. The cost to produce electrical energy using photovoltaics could be dramatically reduced by fabricating photovoltaic devices (solar cells) out of carbon-based (organic) semiconducting materials. This dissertation describes two new approaches for increasing the efficiency in organic photovoltaic systems. The first approach uses magnetic fields to inhibit the recombination of electrons and holes and increase charge collection. Many magnetic field effects in room-temperature organic semiconductor devices can be understood by the magnetoeffects by the interconversion of singlets and triplets (MIST) model. According to the MIST model, magnetic fields split the degeneracy of triplet electron-hole spin states via the Zeeman effect. This splitting alters inter-system crossing between loosely bound singlets and triplets, which can change the overall recombination rate of electron-hole pairs. The organic magnetoresistance in polymer-based organic photovoltaic devices was measured to be positive and on the order of a few percent. In addition, the magnitude of the organic magnetoresistance decreased with increasing bias and with increasing concentration of electron-accepting fullerenes. This behavior is consistent with the MIST model. The MIST model was then extended to describe magnetic field effects in photocurrents produced by organic photovoltaic devices. Single-layer polymer devices showed an increase in photocurrent of ˜6--9% with the application of relatively weak magnetic fields (˜30 mT) due to a reduction in the recombination rate of non-geminate electron-hole pairs. However, in bulk-heterojunction devices the magnetic field effect on photocurrent was significantly diminished with just a few percent by weight of fullerenes. These results are shown to be consistent with the robust MIST model: electron

  16. First principle study on interfacial energetic alignment and charge transfer in quantum dots functionalized via metal-organic dye

    Science.gov (United States)

    Cui, Peng

    Quantum dots (QDs) are promising materials for applications in solar energy conversion because of tunable band gap, multi-exciton generation, photon-upconversion, etc. One of the main challenges of increasing solar energy conversion is to extend the lifetime of photoexcited charge-carriers in conduction band, and one of the strategies is to functionalize QD with mediator molecules. Functionalizing QD with metal-organic dye serves as the additional channel of manipulating charge transfer - the key process increasing solar energy conversion. When metal-organic dye is attached to QD, the interfacial charge transfer direction as well as the rates are determined by a balance between the energetic alignment, QD-dye interaction as well as charge-carrier relaxation dynamics. In this dissertation, we explore the effect of dye functionalization on these elements. We change the metal ion, organic ligands as well as binding geometry of dye, size of QD, polarity of solvent, and use density functional theory to study their effects on energetic alignment. Embedding density functional calculation is used to study the dipole interaction between QD and dye providing additional controllability on charge transfer excitation. At last, we apply Tully surface hopping scheme in combining with density functional theory in time domain to study the charge-carrier relaxation dynamics and charge transfer across the heterogeneous interface in QD/dye nanocrystal composite.

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

    Science.gov (United States)

    Aiyar, Avishek R.

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

  18. Combined effects of headgroup charge and tail unsaturation of lipids on lateral organization and diffusion of lipids in model biomembranes

    International Nuclear Information System (INIS)

    Chen Xiao-Jie; Liang Qing

    2017-01-01

    Lateral organization and dynamics of lipids in plasma membranes are crucial for several cellular processes such as signal transduction across the membrane and still remain elusive. In this paper, using coarse-grained molecular dynamics simulation, we theoretically study the combined effects of headgroup charge and tail unsaturation of lipids on the lateral organization and diffusion of lipids in ternary lipid bilayers. In neutral ternary lipid bilayers composed of saturated lipids, unsaturated lipids, and cholesterols, under the conditions of given temperature and components, the main factor for the phase separation is the unsaturation of unsaturated lipids and the bilayers can be separated into liquid-ordered domains enriched in saturated lipids and cholesterols and liquid-disordered domains enriched in unsaturated lipids. Once the headgroup charge is introduced, the electrostatic repulsion between the negatively charged lipid headgroups will increase the distance between the charged lipids. We find that the lateral organization and diffusion of the lipids in the (partially) charged ternary lipid bilayers are determined by the competition between the headgroup charge and the unsaturation of the unsaturated lipids. In the bilayers containing unsaturated lipids with lower unsaturation, the headgroup charge plays a crucial role in the lateral organization and diffusion of lipids. The headgroup charge may make the lipid domains unstable and even can suppress phase separation of the lipids in some systems. However, in the bilayers containing highly unsaturated lipids, the lateral organization and diffusion of lipids are mainly dominated by the unsaturation of the unsaturated lipids. This work may provide some theoretical insights into understanding the formation of nanosized domains and lateral diffusion of lipids in plasma membranes. (paper)

  19. Polarization Energies at Organic–Organic Interfaces: Impact on the Charge Separation Barrier at Donor–Acceptor Interfaces in Organic Solar Cells

    KAUST Repository

    Ryno, Sean

    2016-05-31

    We probe the energetic landscape at a model pentacene/fullerene-C60 interface to investigate the interactions between positive and negative charges, which are critical to the processes of charge separation and recombination in organic solar cells. Using a polarizable force field, we find that polarization energy, i.e. the stabilization a charge feels due to its environment, is larger at the interface than in the bulk for both a positive and a negative charge. The combination of the charge being more stabilized at the interface and the Coulomb attraction between the charges, results in a barrier to charge separation at the pentacene-C60 interface that can be in excess of 0.7 eV for static configurations of the donor and acceptor locations. However, the impact of molecular motions, i.e., the dynamics, at the interface at room temperature results in a distribution of polarization energies and in charge separation barriers that can be significantly reduced. The dynamic nature of the interface is thus critical, with the polarization energy distributions indicating that sites along the interface shift in time between favorable and unfavorable configurations for charge separation.

  20. The associated charged particle multiplicity of high-p/sub T/ pi /sup 0/ and single-photon events

    CERN Document Server

    Diakonou, M; Albrow, M G; Almehed, S; Benary, O; Bøggild, H; Botner, O; Cnops, A M; Cockerill, D J A; Dagan, S; Dahl-Jensen, Erik; Dahl-Jensen, I; Damgaard, G; Fabjan, Christian Wolfgang; Filippas-Tassos, A; Fokitis, E; Fowler, E C; Hallgren, A; Hansen, K H; Henning, S; Hood, D M; Hooper, J; Jarlskog, G; Karpathopoulos, S; Killian, T; Kourkoumelis, C; Kreisler, M; Lissauer, D; Lörstad, B; Ludlam, T; Mannelli, I; McCubbin, N A; Melin, A; Mjörnmark, U; Møller, R; Molzon, W; Mouzourakis, P; Nielsen, B S; Nielsen, S O; Nilsson, A; Oren, Y; Palmer, R B; Rahm, David Charles; Rehak, P; Resvanis, L K; Rosselt, L; Schistad, B; Stumer, I; Svensson, L; von Dardel, Guy F; Willis, W J

    1980-01-01

    The associated charged particle multiplicities of high-p/sub T/ pi /sup 0/ and single-photon events were measured at the CERN intersecting storage rings using lead/liquid-argon calorimeters and a scintillation counter array placed around the intersection region. The average multiplicity on the trigger side for the single-photon events was found to be significantly lower than that for the pi /sup 0/ events. The away-side multiplicity for both pi /sup 0/ and single- photon events increases with the trigger particle p/sub T/, but, at a fixed p/sub T/, the direct photon sample was found to have a slightly lower average multiplicity. The differences in the event structure can be explained if a large fraction of the single photons are produced via qg to gamma q constituent scattering. (16 refs).

  1. Metal–organic and covalent organic frameworks as single-site catalysts

    Science.gov (United States)

    Rogge, S. M. J.; Bavykina, A.; Hajek, J.; Garcia, H.; Olivos-Suarez, A. I.; Sepúlveda-Escribano, A.; Vimont, A.; Clet, G.; Bazin, P.; Kapteijn, F.

    2017-01-01

    Heterogeneous single-site catalysts consist of isolated, well-defined, active sites that are spatially separated in a given solid and, ideally, structurally identical. In this review, the potential of metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) as platforms for the development of heterogeneous single-site catalysts is reviewed thoroughly. In the first part of this article, synthetic strategies and progress in the implementation of such sites in these two classes of materials are discussed. Because these solids are excellent playgrounds to allow a better understanding of catalytic functions, we highlight the most important recent advances in the modelling and spectroscopic characterization of single-site catalysts based on these materials. Finally, we discuss the potential of MOFs as materials in which several single-site catalytic functions can be combined within one framework along with their potential as powerful enzyme-mimicking materials. The review is wrapped up with our personal vision on future research directions. PMID:28338128

  2. Interaction of singly and multiply charged ions with a lithium-fluoride surface

    CERN Document Server

    Wirtz, L

    2001-01-01

    Charge transfer between slow ions and an ionic crystal surface still poses a considerable challenge to theory due to the intrinsic many-body character of the system. For the neutralization of multiply charged ions in front of metal surfaces, the Classical Over the Barrier (COB) model is a widely used tool. We present an extension of this model to ionic crystal surfaces where the localization of valence electrons at the anion sites and the lack of cylindrical symmetry of the ion-surface system impede a simple analytical estimate of electron transfer rates. We use a classical trajectory Monte Carlo approach to calculate electron transfer rates for different charge states of the projectile ion. With these rates we perform a Monte Carlo simulation of the neutralization of slow Ne10+ ions in vertical incidence on an LiF surface. Capture of one or several electrons may lead to a local positive charge up of the surface. The projectile dynamics depends on the balance between the repulsion due to this charge and the a...

  3. Microscopic observation of highly mobile charge carriers in organic transistors of semicrystalline conducting polymers

    Science.gov (United States)

    Kawamura, Shinya; Wakamatsu, Ayato; Kuroda, Shin-ichi; Takenobu, Taishi; Tanaka, Hisaaki

    2018-02-01

    Charge carrier dynamics in organic field-effect transistors (OFETs) of semicrystalline conducting polymers poly(2,5-bis(3-hexadecylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) and poly(3-hexylthiophene) (P3HT) have been investigated down to 4 K by field-induced electron spin resonance (FI-ESR) spectroscopy. The highly mobile nature of charge carriers within the ordered regions of the polymers has been clarified from the observation of the motional narrowing effect of the ESR spectra even below 30 K, where device operation cannot be observed presumably owing to the effect of domain boundaries. The activation energy of carrier motion observed by ESR has been determined as 17 meV for PBTTT and 13 meV for P3HT, which are an order of magnitude smaller than that of FET mobility (>110 meV) obtained for the same devices. These results demonstrate that the intrinsic carrier mobility within the ordered region is much higher than that expected from the macroscopic transport measurements in the semicrystalline polymers.

  4. Direct visualization of polarization reversal of organic ferroelectric memory transistor by using charge modulated reflectance imaging

    Science.gov (United States)

    Otsuka, Takako; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

    2017-11-01

    By using the charge modulated reflectance (CMR) imaging technique, charge distribution in the pentacene organic field-effect transistor (OFET) with a ferroelectric gate insulator [P(VDF-TrFE)] was investigated in terms of polarization reversal of the P(VDF-TrFE) layer. We studied the polarization reversal process and the carrier spreading process in the OFET channel. The I-V measurement showed a hysteresis behavior caused by the spontaneous polarization of P(VDF-TrFE), but the hysteresis I-V curve changes depending on the applied drain bias, possibly due to the gradual shift of the polarization reversal position in the OFET channel. CMR imaging visualized the gradual shift of the polarization reversal position and showed that the electrostatic field formed by the polarization of P(VDF-TrFE) contributes to hole and electron injection into the pentacene layer and the carrier distribution is significantly dependent on the direction of the polarization. The polarization reversal position in the channel region is governed by the electrostatic potential, and it happens where the potential reaches the coercive voltage of P(VDF-TrFE). The transmission line model developed on the basis of the Maxwell-Wagner effect element analysis well accounts for this polarization reversal process in the OFET channel.

  5. Correlation between the Open-Circuit Voltage and Charge Transfer State Energy in Organic Photovoltaic Cells.

    Science.gov (United States)

    Zou, Yunlong; Holmes, Russell J

    2015-08-26

    In order to further improve the performance of organic photovoltaic cells (OPVs), it is essential to better understand the factors that limit the open-circuit voltage (VOC). Previous work has sought to correlate the value of VOC in donor-acceptor (D-A) OPVs to the interface energy level offset (EDA). In this work, measurements of electroluminescence are used to extract the charge transfer (CT) state energy for multiple small molecule D-A pairings. The CT state as measured from electroluminescence is found to show better correlation to the maximum VOC than EDA. The difference between EDA and the CT state energy is attributed to the Coulombic binding energy of the CT state. This correlation is demonstrated explicitly by inserting an insulating spacer layer between the donor and acceptor materials, reducing the binding energy of the CT state and increasing the measured VOC. These results demonstrate a direct correlation between maximum VOC and CT state energy.

  6. Charge generation layers for solution processed tandem organic light emitting diodes with regular device architecture.

    Science.gov (United States)

    Höfle, Stefan; Bernhard, Christoph; Bruns, Michael; Kübel, Christian; Scherer, Torsten; Lemmer, Uli; Colsmann, Alexander

    2015-04-22

    Tandem organic light emitting diodes (OLEDs) utilizing fluorescent polymers in both sub-OLEDs and a regular device architecture were fabricated from solution, and their structure and performance characterized. The charge carrier generation layer comprised a zinc oxide layer, modified by a polyethylenimine interface dipole, for electron injection and either MoO3, WO3, or VOx for hole injection into the adjacent sub-OLEDs. ToF-SIMS investigations and STEM-EDX mapping verified the distinct functional layers throughout the layer stack. At a given device current density, the current efficiencies of both sub-OLEDs add up to a maximum of 25 cd/A, indicating a properly working tandem OLED.

  7. Predictive DFT-based approaches to charge and spin transport in single-molecule junctions and two-dimensional materials: successes and challenges.

    Science.gov (United States)

    Quek, Su Ying; Khoo, Khoong Hong

    2014-11-18

    CONSPECTUS: The emerging field of flexible electronics based on organics and two-dimensional (2D) materials relies on a fundamental understanding of charge and spin transport at the molecular and nanoscale. It is desirable to make predictions and shine light on unexplained experimental phenomena independently of experimentally derived parameters. Indeed, density functional theory (DFT), the workhorse of first-principles approaches, has been used extensively to model charge/spin transport at the nanoscale. However, DFT is essentially a ground state theory that simply guarantees correct total energies given the correct charge density, while charge/spin transport is a nonequilibrium phenomenon involving the scattering of quasiparticles. In this Account, we critically assess the validity and applicability of DFT to predict charge/spin transport at the nanoscale. We also describe a DFT-based approach, DFT+Σ, which incorporates corrections to Kohn-Sham energy levels based on many-electron calculations. We focus on single-molecule junctions and then discuss how the important considerations for DFT descriptions of transport can differ in 2D materials. We conclude that when used appropriately, DFT and DFT-based approaches can play an important role in making predictions and gaining insight into transport in these materials. Specifically, we shall focus on the low-bias quasi-equilibrium regime, which is also experimentally most relevant for single-molecule junctions. The next question is how well can the scattering of DFT Kohn-Sham particles approximate the scattering of true quasiparticles in the junction? Quasiparticles are electrons (holes) that are surrounded by a constantly changing cloud of holes (electrons), but Kohn-Sham particles have no physical significance. However, Kohn-Sham particles can often be used as a qualitative approximation to quasiparticles. The errors in standard DFT descriptions of transport arise primarily from errors in the Kohn-Sham energy levels

  8. Detection of singly- and doubly-charged quaternary ammonium drugs in equine urine by liquid chromatography/tandem mass spectrometry.

    Science.gov (United States)

    Ho, Emmie N M; Kwok, W H; Wong, April S Y; Wan, Terence S M

    2012-01-13

    Quaternary ammonium drugs (QADs) are anticholinergic agents some of which are known to have been abused or misused in equine sports. A recent review of literature shows that the screening methods reported thus far for QADs mainly cover singly-charged QADs. Doubly-charged QADs are extremely polar substances which are difficult to be extracted and poorly retained on reversed-phase columns. It would be ideal if a comprehensive method can be developed which can detect both singly- and doubly-charged QADs. This paper describes an efficient liquid chromatography/tandem mass spectrometry (LC/MS/MS) method for the simultaneous detection and confirmation of 38 singly- and doubly-charged QADs at sub-parts-per-billion (ppb) to low-ppb levels in equine urine after solid-phase extraction. Quaternary ammonium drugs were extracted from equine urine by solid-phase extraction (SPE) using an ISOLUTE(®) CBA SPE column and analysed by LC/MS/MS in the positive electrospray ionisation mode. Separation of the 38 QADs was achieved on a polar group embedded C18 LC column with a mixture of aqueous ammonium formate (pH 3.0, 10 mM) and acetonitrile as the mobile phase. Detection and confirmation of the 38 QADs at sub-ppb to low-ppb levels in equine urine could be achieved within 16 min using selected reaction monitoring (SRM). Matrix interference of the target transitions at the expected retention times was not observed. Other method validation data, including precision and recovery, were acceptable. The method was successfully applied to the analyses of drug-administration samples. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. Realization of a Cascaded Quantum System: Heralded Absorption of a Single Photon Qubit by a Single-Electron Charged Quantum Dot.

    Science.gov (United States)

    Delteil, Aymeric; Sun, Zhe; Fält, Stefan; Imamoğlu, Atac

    2017-04-28

    Photonic losses pose a major limitation for the implementation of a quantum state transfer between nodes of a quantum network. A measurement that heralds a successful transfer without revealing any information about the qubit may alleviate this limitation. Here, we demonstrate the heralded absorption of a single photonic qubit, generated by a single neutral quantum dot, by a single-electron charged quantum dot that is located 5 m away. The transfer of quantum information to the spin degree of freedom takes place upon the emission of a photon; for a properly chosen or prepared quantum dot, the detection of this photon yields no information about the qubit. We show that this process can be combined with local operations optically performed on the destination node by measuring classical correlations between the absorbed photon color and the final state of the electron spin. Our work suggests alternative avenues for the realization of quantum information protocols based on cascaded quantum systems.

  10. Graphene quantum dots as a highly efficient solution-processed charge trapping medium for organic nano-floating gate memory.

    Science.gov (United States)

    Ji, Yongsung; Kim, Juhan; Cha, An-Na; Lee, Sang-A; Lee, Myung Woo; Suh, Jung Sang; Bae, Sukang; Moon, Byung Joon; Lee, Sang Hyun; Lee, Dong Su; Wang, Gunuk; Kim, Tae-Wook

    2016-04-08

    A highly efficient solution-processible charge trapping medium is a prerequisite to developing high-performance organic nano-floating gate memory (NFGM) devices. Although several candidates for the charge trapping layer have been proposed for organic memory, a method for significantly increasing the density of stored charges in nanoscale layers remains a considerable challenge. Here, solution-processible graphene quantum dots (GQDs) were prepared by a modified thermal plasma jet method; the GQDs were mostly composed of carbon without any serious oxidation, which was confirmed by x-ray photoelectron spectroscopy. These GQDs have multiple energy levels because of their size distribution, and they can be effectively utilized as charge trapping media for organic NFGM applications. The NFGM device exhibited excellent reversible switching characteristics, with an on/off current ratio greater than 10(6), a stable retention time of 10(4) s and reliable cycling endurance over 100 cycles. In particular, we estimated that the GQDs layer trapped ∼7.2 × 10(12) cm(-2) charges per unit area, which is a much higher density than those of other solution-processible nanomaterials, suggesting that the GQDs layer holds promise as a highly efficient nanoscale charge trapping material.

  11. Nanometer-size surface modification produced by single, low energy, highly charged ions

    International Nuclear Information System (INIS)

    Stockli, M.P.

    1994-01-01

    Atomically flat surfaces of insulators have been bombarded with low energy, highly charged ions to search for nanometer-size surface modifications. It is expected that the high electron deficiency of highly charged ions will capture and/or remove many of the insulator's localized electrons when impacting on an insulating surface. The resulting local electron deficiency is expected to locally disintegrate the insulator through a open-quotes Coulomb explosionclose quotes forming nanometer-size craters. Xe ions with charge states between 10+ and 45+ and kinetic energies between 0 and 10 keV/q were obtained from the KSU-CRYEBIS, a CRYogenic Electron Beam Ion Source and directed onto various insulating materials. Mica was favored as target material as atomically flat surfaces can be obtained reliably through cleaving. However, the authors observations with an atomic force microscope have shown that mica tends to defoliate locally rather than disintegrate, most likely due to the small binding forces between adjacent layers. So far the authors measurements indicate that each ion produces one blister if the charge state is sufficiently high. The blistering does not seem to depend very much on the kinetic energy of the ions

  12. Large-Scale Single Particle and Cell Trapping based on Rotating Electric Field Induced-Charge Electroosmosis.

    Science.gov (United States)

    Wu, Yupan; Ren, Yukun; Tao, Ye; Hou, Likai; Jiang, Hongyuan

    2016-12-06

    We propose a simple, inexpensive microfluidic chip for large-scale trapping of single particles and cells based on induced-charge electroosmosis in a rotating electric field (ROT-ICEO). A central floating electrode array, was placed in the center of the gap between four driving electrodes with a quadrature configuration and used to immobilize single particles or cells. Cells were trapped on the electrode array by the interaction between ROT-ICEO flow and buoyancy flow. We experimentally optimized the efficiency of trapping single particles by investigating important parameters like particle or cell density and electric potential. Experimental and numerical results showed good agreement. The operation of the chip was verified by trapping single polystyrene (PS) microspheres with diameters of 5 and 20 μm and single yeast cells. The highest single particle occupancy of 73% was obtained using a floating electrode array with a diameter of 20 μm with an amplitude voltage of 5 V and frequency of 10 kHz for PS microbeads with a 5-μm diameter and density of 800 particles/μL. The ROT-ICEO flow could hold cells against fluid flows with a rate of less than 0.45 μL/min. This novel, simple, robust method to trap single cells has enormous potential in genetic and metabolic engineering.

  13. Colloquium : Electronic transport in single-crystal organic transistors

    NARCIS (Netherlands)

    Gershenson, M.E.; Podzorov, V.; Morpurgo, A.F.

    2006-01-01

    Small-molecule organic semiconductors, together with polymers, form the basis for the emerging field of organic electronics. Despite the rapid technological progress in this area, our understanding of fundamental electronic properties of these materials remains limited. Recently developed organic

  14. Induction of prophage lambda by chlorinated organics: Detection of some single-species/single-site carcinogens

    Energy Technology Data Exchange (ETDEWEB)

    DeMarini, D.M.; Brooks, H.G. (Environmental Protection Agency, Research Triangle Park, NC (United States))

    1992-01-01

    Twenty-eight chlorinated organic compounds were evaluated for their ability to induce DNA damage using the Microscreen prophage-induction assay in Escherichia coli. Comparison of the performance characteristics of the prophage-induction and Salmonella assays to rodent carcinogenicity assays showed that the prophage-induction assay had a somewhat higher specificity than did the Salmonella assay (70% vs. 50%); sensitivity, concordance, and positive and negative predictivity were similar for the two microbial assays. The Microscreen prophage-induction assay failed to detect eight carcinogens, perhaps due to toxicity or other unknown factors; five of these eight carcinogens were detected by the Salmonella assay. However, the prophage-induction assay did detect six carcinogens that were not detected by the Salmonella assay, and five of these were single-species, single-site carcinogens, mostly mouse liver carcinogens. Some of these carcinogens, such as the chloroethanes, produce free radicals, which may be the basis for their carcinogenicity and ability to induce prophage. The prophage-induction (or other SOS) assay may be useful in identifying some genotoxic chlorinated carcinogens that induce DNA damage that do not revert the standard Salmonella tester strains.

  15. Mechanistic Studies of Charge Injection from Metallic Electrodes into Organic Semiconductors Mediated by Ionic Functionalities: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Thuc-Quyen [UCSB; Bazan, Guillermo [UCSB; Mikhailovsky, Alexander [UCSB

    2014-04-15

    Metal-organic semiconductor interfaces are important because of their ubiquitous role in determining the performance of modern electronics such as organic light emitting diodes (OLEDs), fuel cells, batteries, field effect transistors (FETs), and organic solar cells. Interfaces between metal electrodes required for external wiring to the device and underlying organic structures directly affect the charge carrier injection/collection efficiency in organic-based electronic devices primarily due to the mismatch between energy levels in the metal and organic semiconductor. Environmentally stable and cost-effective electrode materials, such as aluminum and gold typically exhibit high potential barriers for charge carriers injection into organic devices leading to increased operational voltages in OLEDs and FETs and reduced charge extraction in photovoltaic devices. This leads to increased power consumption by the device, reduced overall efficiency, and decreased operational lifetime. These factors represent a significant obstacle for development of next generation of cheap and energy-efficient components based on organic semiconductors. It has been noticed that introduction of organic materials with conjugated backbone and ionic pendant groups known as conjugated poly- and oligoelectrolytes (CPEs and COEs), enables one to reduce the potential barriers at the metal-organic interface and achieve more efficient operation of a device, however exact mechanisms of the phenomenon have not been understood. The goal of this project was to delineate the function of organic semiconductors with ionic groups as electron injection layers. The research incorporated a multidisciplinary approach that encompassed the creation of new materials, novel processing techniques, examination of fundamental electronic properties and the incorporation of the resulting knowledgebase into development of novel organic electronic devices with increased efficiency, environmental stability, and reduced

  16. Transparent Flash Memory Using Single Ta2O5Layer for Both Charge-Trapping and Tunneling Dielectrics.

    Science.gov (United States)

    Hota, Mrinal K; Alshammari, Fwzah H; Salama, Khaled N; Alshareef, Husam N

    2017-07-05

    We report reproducible multibit transparent flash memory in which a single solution-derived Ta 2 O 5 layer is used simultaneously as a charge-trapping layer and a tunneling layer. This is different from conventional flash memory cells where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ∼10.7 V. Moreover, the flash memory device shows a stable 2-bit memory performance and good reliability, including data retention for more than 10 4 s and endurance performance for more than 100 cycles. The use of a common charge-trapping and tunneling layer can simplify the fabrication of advanced flash memories.

  17. Visualization of single-wall carbon nanotube (SWNT) networks in conductive polystyrene nanocomposites by charge contrast imaging

    International Nuclear Information System (INIS)

    Loos, Joachim; Alexeev, Alexander; Grossiord, Nadia; Koning, Cor E.; Regev, Oren

    2005-01-01

    The morphology of conductive nanocomposites consisting of low concentration of single-wall carbon nanotubes (SWNT) and polystyrene (PS) has been studied using atomic force microscopy (AFM), transmission electron microscopy (TEM) and, in particular, scanning electron microscopy (SEM). Application of charge contrast imaging in SEM allows visualization of the overall SWNT dispersion within the polymer matrix as well as the identification of individual or bundled SWNTs at high resolution. The contrast mechanism involved will be discussed. In conductive nanocomposites the SWNTs are homogeneously dispersed within the polymer matrix and form a network. Beside fairly straight SWNTs, strongly bended SWNTs have been observed. However, for samples with SWNT concentrations below the percolation threshold, the common overall charging behavior of an insulating material is observed preventing the detailed morphological investigation of the sample

  18. Functionalized organic semiconductor molecules to enhance charge carrier injection in electroluminescent cell

    Science.gov (United States)

    Yalcin, Eyyup; Kara, Duygu Akin; Karakaya, Caner; Yigit, Mesude Zeliha; Havare, Ali Kemal; Can, Mustafa; Tozlu, Cem; Demic, Serafettin; Kus, Mahmut; Aboulouard, Abdelkhalk

    2017-07-01

    Organic semiconductor (OSC) materials as a charge carrier interface play an important role to improve the device performance of organic electroluminescent cells. In this study, 4,4″-bis(diphenyl amino)-1,1':3‧,1″-terphenyl-5'-carboxylic acid (TPA) and 4,4″-di-9H-carbazol-9-yl-1,1':3‧,1″-terphenyl-5'-carboxylic acid (CAR) has been designed and synthesized to modify indium tin oxide (ITO) layer as interface. Bare ITO and PEDOT:PSS coated on ITO was used as reference anode electrodes for comparison. Furthermore, PEDOT:PSS coated over CAR/ITO and TPA/ITO to observe stability of OSC molecules and to completely cover the ITO surface. Electrical, optical and surface characterizations were performed for each device. Almost all modified devices showed around 36% decrease at the turn on voltage with respect to bare ITO. The current density of bare ITO, ITO/CAR and ITO/TPA were measured as 288, 1525 and 1869 A/m2, respectively. By increasing current density, luminance of modified devices showed much better performance with respect to unmodified devices.

  19. Electronic coupling effects and charge transfer between organic molecules and metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Forker, Roman

    2010-07-01

    We employ a variant of optical absorption spectroscopy, namely in situ differential reflectance spectroscopy (DRS), for an analysis of the structure-properties relations of thin epitaxial organic films. Clear correlations between the spectra and the differently intense coupling to the respective substrates are found. While rather broad and almost structureless spectra are obtained for a quaterrylene (QT) monolayer on Au(111), the spectral shape resembles that of isolated molecules when QT is grown on graphite. We even achieve an efficient electronic decoupling from the subjacent Au(111) by inserting an atomically thin organic spacer layer consisting of hexa-peri-hexabenzocoronene (HBC) with a noticeably dissimilar electronic behavior. These observations are further consolidated by a systematic variation of the metal substrate (Au, Ag, and Al), ranging from inert to rather reactive. For this purpose, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) is chosen to ensure comparability of the molecular film structures on the different metals, and also because its electronic alignment on various metal surfaces has previously been studied with great intensity. We present evidence for ionized PTCDA at several interfaces and propose the charge transfer to be related to the electronic level alignment governed by interface dipole formation on the respective metals. (orig.)

  20. Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions

    Science.gov (United States)

    Leitherer, S.; Jäger, C. M.; Krause, A.; Halik, M.; Clark, T.; Thoss, M.

    2017-11-01

    In weakly interacting organic semiconductors, static disorder and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and electronic fluctuations into account. Here, we present a multiscale method based on a combination of molecular-dynamics simulations, electronic-structure calculations, and a transport theory that uses time-dependent nonequilibrium Green's functions. We apply the methodology to investigate charge transport in C60-containing self-assembled monolayers, which are used in organic field-effect transistors.

  1. In situ characterization of the film coverage and the charge transport in the alkylated-organic thin film transistor

    Science.gov (United States)

    Watanabe, Takeshi; Koganezawa, Tomoyuki; Kikuchi, Mamoru; Muraoka, Hiroki; Ogawa, Satoshi; Yoshimoto, Noriyuki; Hirosawa, Ichiro

    2018-03-01

    We propose an in situ experimental method of investigating the correlations of the film coverage of the organic semiconductor layers and charge transport properties of organic thin film transistors during vacuum deposition. The coverage of each monolayer was estimated using the intensity of off-specular diffuse scattering and diffraction. Experimental data were obtained from the in situ measurements of two-dimensional grazing incidence X-ray scattering and charge transport. The source-drain current increased over the film coverage of the first monolayer (= 0.48). This is in agreement with the critical percolation coverage, indicating that the conductivities of the first and second monolayers are different.

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

    DEFF Research Database (Denmark)

    Görtz, Simon; Klose, Andreas

    2009-01-01

    -charge transportation problem. Nevertheless, just a few methods for solving this problem have been proposed in the literature. In this paper, some greedy heuristic solutions methods for the SSFCTP are investigated. It is shown that two greedy approaches for the SSFCTP known from the literature can be arbitrarily bad......, whereas an approximation algorithm proposed in the literature for the binary min-knapsack problem has a guaranteed worst case bound if adapted accordingly to the case of the SSFCTP....

  3. Single-hole spectral function and spin-charge separation in the t-J model

    Science.gov (United States)

    Mishchenko, A. S.; Prokof'ev, N. V.; Svistunov, B. V.

    2001-07-01

    Worm algorithm Monte Carlo simulations of the hole Green function with subsequent spectral analysis were performed for 0.1hole spectral function in the thermodynamic limit. Spectral analysis reveals a δ-function-sharp quasiparticle peak at the lower edge of the spectrum that is incompatible with the power-law singularity and thus rules out the possibility of spin-charge separation in this parameter range. Spectral continuum features two peaks separated by a gap ~4÷5 t.

  4. Single ion induced surface nanostructures: a comparison between slow highly charged and swift heavy ions.

    Science.gov (United States)

    Aumayr, Friedrich; Facsko, Stefan; El-Said, Ayman S; Trautmann, Christina; Schleberger, Marika

    2011-10-05

    This topical review focuses on recent advances in the understanding of the formation of surface nanostructures, an intriguing phenomenon in ion-surface interaction due to the impact of individual ions. In many solid targets, swift heavy ions produce narrow cylindrical tracks accompanied by the formation of a surface nanostructure. More recently, a similar nanometric surface effect has been revealed for the impact of individual, very slow but highly charged ions. While swift ions transfer their large kinetic energy to the target via ionization and electronic excitation processes (electronic stopping), slow highly charged ions produce surface structures due to potential energy deposited at the top surface layers. Despite the differences in primary excitation, the similarity between the nanostructures is striking and strongly points to a common mechanism related to the energy transfer from the electronic to the lattice system of the target. A comparison of surface structures induced by swift heavy ions and slow highly charged ions provides a valuable insight to better understand the formation mechanisms. © 2011 IOP Publishing Ltd

  5. Real-Time Visualization of Active Species in a Single-Site Metal–Organic Framework Photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Sizhuo [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201, United States; Pattengale, Brian [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201, United States; Lee, Sungsik [X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60349, United States; Huang, Jier [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201, United States

    2018-02-06

    In this work, we report a new single-site photocatalyst (Co-Ru-UIO- 67(bpy)) based on a metal-organic framework platform with incorporated molecular photosensitizer and catalyst. We show that this catalyst not only demonstrates exceptional activity for light-driven H2 production but also can be recycled without loss of activity. Using the combination of optical transient absorption spectroscopy and in situ X-ray absorption spectroscopy, we not only captured the key CoI intermediate species formed after ultrafast charge transfer from the incorporated photosensitizer but also identified the rate-limiting step in the catalytic cycle, providing insight into the catalysis mechanism of these single-site metal-organic framework photocatalysts.

  6. Donor management parameters and organ yield: single center results.

    Science.gov (United States)

    Marshall, George Ryne; Mangus, Richard S; Powelson, John A; Fridell, Jonathan A; Kubal, Chandrashekhar A; Tector, A Joseph

    2014-09-01

    Management of organ donors in the intensive care unit is an emerging subject in critical care and transplantation. This study evaluates organ yield outcomes for a large number of patients managed by the Indiana Organ Procurement Organization. This is a retrospective review of intensive care unit records from 2008-2012. Donor demographic information and seven donor management parameters (DMP) were recorded at admission, consent, 12 h after consent, and before procurement. Three study groups were created: donors meeting 0-3, 4, or 5-7 DMP. Active donor Organ Procurement Organization management began at consent; so, data analysis focuses on the 12-h postconsent time point. Outcomes included organs transplanted per donor (OTPD) and transplantation of individual solid organs. Complete records for 499 patients were reviewed. Organ yield was 1415 organs of 3992 possible (35%). At 12 h, donors meeting more DMP had more OTPD: 2.2 (0-3) versus 3.0 (4) versus 3.5 (5-7) (P organ except intestine. Oxygen tension, vasopressor use, and central venous pressure were the most frequent independent predictors of organ usage. There were significantly more organs transplanted for donors meeting all three of these parameters (4.5 versus 2.7, P organs, with analysis of individual parameters suggesting that appropriate management of oxygenation, volume status, and vasopressor use could lead to more organs procured per donor. Copyright © 2014 Elsevier Inc. All rights reserved.

  7. Thiophene fused azacoronenes: regioselective synthesis, self organization, charge transport, and its incorporation in conjugated polymers

    Science.gov (United States)

    Liu, Yi; He, Bo

    2015-09-15

    A regioselective synthesis of an azacoronene fused with two peripheral thiophene groups has been realized through a concise synthetic route. The resulting thienoazacoronene (TAC) derivatives show high degree of self-organization in solution, in single crystals, in the bulk, and in spuncast thin films. Spuncast thin film field-effect transistors of the TACs exhibited mobilities up to 0.028 cm.sup.2V.sup.-1 S.sup.-1, which is among the top field effect mobilities for solution processed discotic materials. Organic photovoltaic devices using TAC-containing conjugated polymers as the donor material exhibited a high open-circuit voltage of 0.89 V, which was ascribable to TAC's low-lying highest occupied molecular orbital energy level.

  8. Investigation of electrically-active deep levels in single-crystalline diamond by particle-induced charge transient spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kada, W., E-mail: kada.wataru@gunma-u.ac.jp [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kambayashi, Y.; Ando, Y. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Onoda, S. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Umezawa, H.; Mokuno, Y. [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Shikata, S. [Kwansei Gakuin Univ., 2-1, Gakuen, Mita, Hyogo 669-1337 (Japan); Makino, T.; Koka, M. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Hanaizumi, O. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kamiya, T.; Ohshima, T. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan)

    2016-04-01

    To investigate electrically-active deep levels in high-resistivity single-crystalline diamond, particle-induced charge transient spectroscopy (QTS) techniques were performed using 5.5 MeV alpha particles and 9 MeV carbon focused microprobes. For unintentionally-doped (UID) chemical vapor deposition (CVD) diamond, deep levels with activation energies of 0.35 eV and 0.43 eV were detected which correspond to the activation energy of boron acceptors in diamond. The results suggested that alpha particle and heavy ion induced QTS techniques are the promising candidate for in-situ investigation of deep levels in high-resistivity semiconductors.

  9. Charge Dependence and Electric Quadrupole Effects on Single-Nucleon Removal in Relativistic and Intermediate Energy Nuclear Collisions

    Science.gov (United States)

    Norbury, John W.

    1992-01-01

    Single nucleon removal in relativistic and intermediate energy nucleus-nucleus collisions is studied using a generalization of Weizsacker-Williams theory that treats each electromagnetic multipole separately. Calculations are presented for electric dipole and quadrupole excitations and incorporate a realistic minimum impact parameter, Coulomb recoil corrections, and the uncertainties in the input photonuclear data. Discrepancies are discussed. The maximum quadrupole effect to be observed in future experiments is estimated and also an analysis of the charge dependence of the electromagnetic cross sections down to energies as low as 100 MeV/nucleon is made.

  10. Minimizing the energy spread within a single bunch by shaping its charge distribution

    International Nuclear Information System (INIS)

    Loew, G.A.; Wang, J.W.

    1985-03-01

    It has been known for some time that partial compensation of the longitudinal wake field effects can be obtained for any bunch by placing it ahead of the accelerating crest (in space), thereby letting the positive rising sinusoidal field offset the negative beam loading field. The work presented in this paper shows that it is possible to obtain complete compensation, i.e., to reduce the energy spread essentially to zero by properly shaping the longitudinal charge distribution of the bunch and by placing it at the correct position on the wave. 3 refs., 5 figs., 3 tabs

  11. Organic integrated circuits for information storage based on ambipolar polymers and charge injection engineering

    Science.gov (United States)

    Dell'Erba, Giorgio; Luzio, Alessandro; Natali, Dario; Kim, Juhwan; Khim, Dongyoon; Kim, Dong-Yu; Noh, Yong-Young; Caironi, Mario

    2014-04-01

    Ambipolar semiconducting polymers, characterized by both high electron (μe) and hole (μh) mobility, offer the advantage of realizing complex complementary electronic circuits with a single semiconducting layer, deposited by simple coating techniques. However, to achieve complementarity, one of the two conduction paths in transistors has to be suppressed, resulting in unipolar devices. Here, we adopt charge injection engineering through a specific interlayer in order to tune injection into frontier energy orbitals of a high mobility donor-acceptor co-polymer. Starting from field-effect transistors with Au contacts, showing a p-type unbalanced behaviour with μh = 0.29 cm2/V s and μe = 0.001 cm2/V s, through the insertion of a caesium salt interlayer with optimized thickness, we obtain an n-type unbalanced transistor with μe = 0.12 cm2/V s and μh = 8 × 10-4 cm2/V s. We applied this result to the development of the basic pass-transistor logic building blocks such as inverters, with high gain and good noise margin, and transmission-gates. In addition, we developed and characterized information storage circuits like D-Latches and D-Flip-Flops consisting of 16 transistors, demonstrating both their static and dynamic performances and thus the suitability of this technology for more complex circuits such as display addressing logic.

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

    Science.gov (United States)

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

    2015-01-01

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

  13. Model of Organic Solar Cell Photocurrent Including the Effect of Charge Accumulation at Interfaces and Non-Uniform Carrier Generation

    DEFF Research Database (Denmark)

    Torto, Lorenzo; Cester, Andrea; Rizzo, Antonio

    2017-01-01

    We developed an improved model to fit the photocurrent density versus voltage in organic solar cells. The model has been validated by fitting data from P3HT:PCBM solar cells. Our model quantitatively accounts for the band bending near the electrodes caused by charge accumulation in the active layer...

  14. Charge Transient, Electrochemical and Impedance Measurements as Tools for Characterization of Nano-Heterostructural Organic/Inorganic Semiconductors

    Czech Academy of Sciences Publication Activity Database

    Schauer, F.; Nadáždy, V.; Gmucová, K.; Weiss, M.; Kuřitka, I.; Rohovec, Jan; Toušek, J.; Toušková, J.; Lányi, Š.

    2013-01-01

    Roč. 5, č. 4 (2013), s. 439-443 ISSN 1941-4900 Institutional support: RVO:67985831 Keywords : charge transient spectroscopy * electrochemical spectroscopy * electron structure spectroscopy * organic materials electron structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.444, year: 2013

  15. Correlation between crystal structure and mobility in organic field-effect transistors based on single crystals of tetrathiafulvalene derivatives.

    Science.gov (United States)

    Mas-Torrent, Marta; Hadley, Peter; Bromley, Stefan T; Ribas, Xavi; Tarrés, Judit; Mas, Montserrat; Molins, Elies; Veciana, Jaume; Rovira, Concepció

    2004-07-14

    Recently, it was reported that crystals of the organic material dithiophene-tetrathiafulvalene (DT-TTF) have a high field-effect charge carrier mobility of 1.4 cm(2)/(V x s). These crystals were formed by a simple drop-casting method, making this material interesting to investigate for possible applications in low-cost electronics. Here, organic single-crystal field-effect transistors based on materials related to DT-TTF are presented and a clear correlation between the crystal structure and the electrical characteristics is observed. The observed relationship between the mobilities in the different crystal structures is strongly corroborated by calculations of both the molecular reorganization energies and the maximum intermolecular transfer integrals. The most suitable materials described here exhibit mobilities that are among the highest reported for organic field-effect transistors and that are the highest reported for solution-processed materials.

  16. Search for the Single Production of Doubly-Charged Higgs Bosons and Constraints on their Couplings from Bhabha Scattering

    CERN Document Server

    Abbiendi, G; Akesson, P.F.; Alexander, G.; Allison, John; Amaral, P.; Anagnostou, G.; Anderson, K.J.; Arcelli, S.; Asai, S.; Axen, D.; Azuelos, G.; Bailey, I.; Barberio, E.; Barlow, R.J.; Batley, R.J.; Bechtle, P.; Behnke, T.; Bell, Kenneth Watson; Bell, P.J.; Bella, G.; Bellerive, A.; Benelli, G.; Bethke, S.; Biebel, O.; Boeriu, O.; Bock, P.; Boutemeur, M.; Braibant, S.; Brigliadori, L.; Brown, Robert M.; Buesser, K.; Burckhart, H.J.; Campana, S.; Carnegie, R.K.; Caron, B.; Carter, A.A.; Carter, J.R.; Chang, C.Y.; Charlton, David G.; Csilling, A.; Cuffiani, M.; Dado, S.; De Roeck, A.; De Wolf, E.A.; Desch, K.; Dienes, B.; Donkers, M.; Dubbert, J.; Duchovni, E.; Duckeck, G.; Duerdoth, I.P.; Etzion, E.; Fabbri, F.; Feld, L.; Ferrari, P.; Fiedler, F.; Fleck, I.; Ford, M.; Frey, A.; Furtjes, A.; Gagnon, P.; Gary, John William; Gaycken, G.; Geich-Gimbel, C.; Giacomelli, G.; Giacomelli, P.; Giunta, Marina; Goldberg, J.; Groll, M.; Gross, E.; Grunhaus, J.; Gruwe, M.; Gunther, P.O.; Gupta, A.; Hajdu, C.; Hamann, M.; Hanson, G.G.; Harder, K.; Harel, A.; Harin-Dirac, M.; Hauschild, M.; Hawkes, C.M.; Hawkings, R.; Hemingway, R.J.; Hensel, C.; Herten, G.; Heuer, R.D.; Hill, J.C.; Hoffman, Kara Dion; Horvath, D.; Igo-Kemenes, P.; Ishii, K.; Jeremie, H.; Jovanovic, P.; Junk, T.R.; Kanaya, N.; Kanzaki, J.; Karapetian, G.; Karlen, D.; Kawagoe, K.; Kawamoto, T.; Keeler, R.K.; Kellogg, R.G.; Kennedy, B.W.; Kim, D.H.; Klein, K.; Klier, A.; Kluth, S.; Kobayashi, T.; Kobel, M.; Komamiya, S.; Kormos, Laura L.; Kramer, T.; Krieger, P.; von Krogh, J.; Kruger, K.; Kuhl, T.; Kupper, M.; Lafferty, G.D.; Landsman, H.; Lanske, D.; Layter, J.G.; Leins, A.; Lellouch, D.; Lettso, J.; Levinson, L.; Lillich, J.; Lloyd, S.L.; Loebinger, F.K.; Lu, J.; Ludwig, J.; Macpherson, A.; Mader, W.; Marcellini, S.; Martin, A.J.; Masetti, G.; Mashimo, T.; Mattig, Peter; McDonald, W.J.; McKenna, J.; McMahon, T.J.; McPherson, R.A.; Meijers, F.; Menges, W.; Merritt, F.S.; Mes, H.; Michelini, A.; Mihara, S.; Mikenberg, G.; Miller, D.J.; Moed, S.; Mohr, W.; Mori, T.; Mutter, A.; Nagai, K.; Nakamura, I.; Nanjo, H.; Neal, H.A.; Nisius, R.; O'Neale, S.W.; Oh, A.; Okpara, A.; Oreglia, M.J.; Orito, S.; Pahl, C.; Pasztor, G.; Pater, J.R.; Patrick, G.N.; Pilcher, J.E.; Pinfold, J.; Plane, David E.; Poli, B.; Polok, J.; Pooth, O.; Przybycien, M.; Quadt, A.; Rabbertz, K.; Rembser, C.; Renkel, P.; Roney, J.M.; Rosati, S.; Rozen, Y.; Runge, K.; Sachs, K.; Saeki, T.; Sarkisyan, E.K.G.; Schaile, A.D.; Schaile, O.; Scharff-Hansen, P.; Schieck, J.; Schoerner-Sadenius, Thomas; Schroder, Matthias; Schumacher, M.; Schwick, C.; Scott, W.G.; Seuster, R.; Shears, T.G.; Shen, B.C.; Sherwood, P.; Siroli, G.; Skuja, A.; Smith, A.M.; Sobie, R.; Soldner-Rembold, S.; Spano, F.; Stahl, A.; Stephens, K.; Strom, David M.; Strohmer, R.; Tarem, S.; Tasevsky, M.; Taylor, R.J.; Teuscher, R.; Thomson, M.A.; Torrence, E.; Toya, D.; Tran, P.; Trigger, I.; Trocsanyi, Z.; Tsur, E.; Turner-Watson, M.F.; Ueda, I.; Ujvari, B.; Vollmer, C.F.; Vannerem, P.; Vertesi, R.; Verzocchi, M.; Voss, H.; Vossebeld, J.; Waller, D.; Ward, C.P.; Ward, D.R.; Watkins, P.M.; Watson, A.T.; Watson, N.K.; Wells, P.S.; Wengler, T.; Wermes, N.; Wetterling, G.W.; Wilson, D.; Wilson, J.A.; Wolf, G.; Wyatt, T.R.; Yamashita, S.; Zer-Zion, D.; Zivkovic, Lidija

    2003-01-01

    A search for single production of doubly-charged Higgs bosons has been performed using 600.7 pb^-1 of e+e- collision data with sqrt(s)=189--209GeV collected by the OPAL detector at LEP. No evidence for the existence of H++/-- is observed. Upper limits on the Yukawa coupling of the H++/-- to like-signed electron pairs are derived. Additionally, indirect constraints on the Yukawa coupling from Bhabha scattering, where the H++/-- would contribute via t-channel exchange, are derived for M(H++/--) < 2TeV. These are the first results for both a single production search and constraints from Bhabha scattering reported from LEP.

  17. Probing single-charge fluctuations at a GaAs/AlAs interface using laser spectroscopy on a nearby InGaAs quantum dot.

    Science.gov (United States)

    Houel, J; Kuhlmann, A V; Greuter, L; Xue, F; Poggio, M; Gerardot, B D; Dalgarno, P A; Badolato, A; Petroff, P M; Ludwig, A; Reuter, D; Wieck, A D; Warburton, R J

    2012-03-09

    We probe local charge fluctuations in a semiconductor via laser spectroscopy on a nearby self-assembled quantum dot. We demonstrate that the quantum dot is sensitive to changes in the local environment at the single-charge level. By controlling the charge state of localized defects, we are able to infer the distance of the defects from the quantum dot with ±5  nm resolution. The results identify and quantify the main source of charge noise in the commonly used optical field-effect devices.

  18. Negative Ion MALDI Mass Spectrometry of Polyoxometalates (POMs): Mechanism of Singly Charged Anion Formation and Chemical Properties Evaluation

    Science.gov (United States)

    Boulicault, Jean E.; Alves, Sandra; Cole, Richard B.

    2016-08-01

    MALDI-MS has been developed for the negative ion mode analysis of polyoxometalates (POMs). Matrix optimization was performed using a variety of matrix compounds. A first group of matrixes offers MALDI mass spectra containing abundant intact singly charged anionic adduct ions, as well as abundant in-source fragmentations at elevated laser powers. A relative ranking of the ability to induce POM fragmentation is found to be: DAN > CHCA > CNA > DIT> HABA > DCTB > IAA. Matrixes of a second group provide poorer quality MALDI mass spectra without observable fragments. Sample preparation, including the testing of salt additives, was performed to optimize signals for a model POM, POMc12, the core structure of which bears four negative charges. The matrix 9-cyanoanthracene (CNA) provided the best signals corresponding to singly charged intact POMc12 anions. Decompositions of these intact anionic species were examined in detail, and it was concluded that hydrogen radical-induced mechanisms were not prevalent, but rather that the observed prompt fragments originate from transferred energy derived from initial electronic excitation of the CNA matrix. Moreover, in obtained MALDI mass spectra, clear evidence of electron transfer to analyte POM species was found: a manifestation of the POMs ability to readily capture electrons. The affinity of polyanionic POMc12 toward a variety of cations was evaluated and the following affinity ranking was established: Fe3+ > Al3+ > Li+ > Ga3+ > Co2+ > Cr3+ > Cu2+ > [Mn2+, Mg2+] > [Na+, K+]. Thus, from the available cationic species, specific adducts are preferentially formed, and evidence is given that these higher affinity POM complexes are formed in the gas phase during the early stages of plume expansion.

  19. Polarization-Dependent Photoinduced Bias-Stress Effect in Single-Crystal Organic Field-Effect Transistors.

    Science.gov (United States)

    Choi, Hyun Ho; Najafov, Hikmet; Kharlamov, Nikolai; Kuznetsov, Denis V; Didenko, Sergei I; Cho, Kilwon; Briseno, Alejandro L; Podzorov, Vitaly

    2017-10-04

    Photoinduced charge transfer between semiconductors and gate dielectrics can occur in organic field-effect transistors (OFETs) operating under illumination, leading to a pronounced bias-stress effect in devices that are normally stable while operating in the dark. Here, we report an observation of a polarization-dependent photoinduced bias-stress effect in two prototypical single-crystal OFETs, based on rubrene and tetraphenylbis(indolo{1,2-a})quinolin. We find that the decay rate of the source-drain current in these OFETs under illumination is a periodic function of the polarization angle of incident photoexcitation with respect to the crystal axes, with a periodicity of π. The angular positions of maxima and minima of the bias-stress rate match those of the optical absorption coefficient of the corresponding crystals. The analysis of the effect shows that it stems from a charge transfer of "hot" holes, photogenerated in the crystal within a very short thermalization length (≪μm) from the semiconductor-dielectric interface. The observed phenomenon is a type of intrinsic structure-property relationship, revealing how molecular packing affects parameter drift in organic transistors under illumination. We also demonstrate that a photoinduced charge transfer in OFETs can be used for recording rewritable accumulation channels with an optically defined geometry and resolution, which can be used in a number of potential applications.

  20. Probing Exciton and Charge Dynamics in Organic Thin Films and Photovoltaics with Nonlinear Spectroscopy

    Science.gov (United States)

    McDonough, Thomas J.

    Emerging organic solar cell technologies offer unique advantages over silicon solar cells, such as solution processability and the use of flexible substrates, but the efficiencies of these devices do not yet match the efficiency of silicon. Ultrafast nonlinear spectroscopies can probe the fates of photoexcited species on timescales in which these species are lost to channels that do not result in electric current. In the first study, I compare the ultrafast dynamics of singlet fission and charge generation in pentacene films grown on glass and graphene. The molecular orientation is different on the two substrates: the long axis of the pentacene molecules are "standing-up" (normal to the surface) on glass and "lying-down" (parallel to the surface) on graphene. By studying the fluence and polarization dependence of the transient absorption of pentacene on these two substrates, I am able to clarify previous spectral assignments. I identify a broad, isotropic absorption at 853 nm as due in significant part to hole absorption, in contrast to this feature's typical assignment to T1-T2 absorption. At high fluence, additional peaks at 614 and 688 (on glass) nm appear, whose kinetics and anisotropies are not explained by heating, which I assign to charge generation. In the second study, I utilize two-dimensional white-light spectroscopy to study the morphology dependence of exciton diffusion in semiconducting carbon nanotubes. I analyze the spectral diffusion of the S 1-S1 2D-WL lineshape via the center line slope method to separate the homogeneous and inhomogeneous contributions to the lineshape in each sample. I determine a morphology independent homogeneous linewidth of 10 meV, but I find that the inhomogeneous linewidth is sensitive to the particular sample environment. I model our experimental spectra with kinetic Monte Carlo simulations of exciton diffusion in a 1D potential. I also present preliminary bias-dependent transient absorption and 2D-WL measurements of

  1. Giant plasmon excitation in single and double ionization of C60 by fast highly charged Si and O ions

    Science.gov (United States)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Tribedi, L. C.

    2007-09-01

    Se have investigated single and double ionization of C60 molecule in collisions with 2.33 MeV/u Siq+ (q=6-14) and 3.125 MeV/u Oq+ (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C60 are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening.

  2. Giant plasmon excitation in single and double ionization of C60 by fast highly charged Si and O ions

    International Nuclear Information System (INIS)

    Kelkar, A H; Kadhane, U; Misra, D; Tribedi, L C

    2007-01-01

    Se have investigated single and double ionization of C 60 molecule in collisions with 2.33 MeV/u Si q+ (q=6-14) and 3.125 MeV/u O q+ (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C 60 are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening

  3. Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions

    DEFF Research Database (Denmark)

    Leitherer, Susanne; Jager, C. M.; Krause, A.

    2017-01-01

    In weakly interacting organic semiconductors, static disorder and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and electronic fluctuations into account. Here, we present...... a multiscale method based on a combination of molecular-dynamics simulations, electronic-structure calculations, and a transport theory that uses time-dependent nonequilibrium Green's functions. We apply the methodology to investigate charge transport in C-60-containing self-assembled monolayers, which...

  4. Crossover from band-like to thermally activated charge transport in organic transistors due to strain-induced traps

    KAUST Repository

    Mei, Yaochuan

    2017-08-02

    The temperature dependence of the charge-carrier mobility provides essential insight into the charge transport mechanisms in organic semiconductors. Such knowledge imparts critical understanding of the electrical properties of these materials, leading to better design of high-performance materials for consumer applications. Here, we present experimental results that suggest that the inhomogeneous strain induced in organic semiconductor layers by the mismatch between the coefficients of thermal expansion (CTE) of the consecutive device layers of field-effect transistors generates trapping states that localize charge carriers. We observe a universal scaling between the activation energy of the transistors and the interfacial thermal expansion mismatch, in which band-like transport is observed for similar CTEs, and activated transport otherwise. Our results provide evidence that a high-quality semiconductor layer is necessary, but not sufficient, to obtain efficient charge-carrier transport in devices, and underline the importance of holistic device design to achieve the intrinsic performance limits of a given organic semiconductor. We go on to show that insertion of an ultrathin CTE buffer layer mitigates this problem and can help achieve band-like transport on a wide range of substrate platforms.

  5. Organic integrated circuits for information storage based on ambipolar polymers and charge injection engineering

    Energy Technology Data Exchange (ETDEWEB)

    Dell' Erba, Giorgio; Natali, Dario [Center for Nano Science and Technology PoliMi, Istituto Italiano di Tecnologia, Via Pascoli 70/3, 20133 Milano (Italy); Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Luzio, Alessandro; Caironi, Mario, E-mail: mario.caironi@iit.it, E-mail: yynoh@dongguk.edu [Center for Nano Science and Technology PoliMi, Istituto Italiano di Tecnologia, Via Pascoli 70/3, 20133 Milano (Italy); Kim, Juhwan; Khim, Dongyoon; Kim, Dong-Yu [Heeger Center for Advanced Materials, School of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), 261 Cheomdan-gwagiro, Buk-gu, Gwangju 500-712 (Korea, Republic of); Noh, Yong-Young, E-mail: mario.caironi@iit.it, E-mail: yynoh@dongguk.edu [Department of Energy and Materials Engineering, Dongguk University, 26 Pil-dong, 3-ga, Jung-gu, Seoul 100-715 (Korea, Republic of)

    2014-04-14

    Ambipolar semiconducting polymers, characterized by both high electron (μ{sub e}) and hole (μ{sub h}) mobility, offer the advantage of realizing complex complementary electronic circuits with a single semiconducting layer, deposited by simple coating techniques. However, to achieve complementarity, one of the two conduction paths in transistors has to be suppressed, resulting in unipolar devices. Here, we adopt charge injection engineering through a specific interlayer in order to tune injection into frontier energy orbitals of a high mobility donor-acceptor co-polymer. Starting from field-effect transistors with Au contacts, showing a p-type unbalanced behaviour with μ{sub h} = 0.29 cm{sup 2}/V s and μ{sub e} = 0.001 cm{sup 2}/V s, through the insertion of a caesium salt interlayer with optimized thickness, we obtain an n-type unbalanced transistor with μ{sub e} = 0.12 cm{sup 2}/V s and μ{sub h} = 8 × 10{sup −4} cm{sup 2}/V s. We applied this result to the development of the basic pass-transistor logic building blocks such as inverters, with high gain and good noise margin, and transmission-gates. In addition, we developed and characterized information storage circuits like D-Latches and D-Flip-Flops consisting of 16 transistors, demonstrating both their static and dynamic performances and thus the suitability of this technology for more complex circuits such as display addressing logic.

  6. Charge-collection efficiency of single-crystal CVD diamond detector for low-energy charged particles with energies ranging from 100 keV to 2 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Yuki, E-mail: sato.yuki@jaea.go.jp [Collaborative Laboratories for Advanced Decommissioning Science (CLADS), Japan Atomic Energy Agency, 2–4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Murakami, Hiroyuki [RIKEN Nishina Center for Accelerator-Based Science, RIKEN, 2–1Hirosawa, Wako, Saitama 351-0198 (Japan); Shimaoka, Takehiro; Tsubota, Masakatsu; Kaneko, Junichi H. [Graduate School of Engineering, Hokkaido University, N13, W8, Kita-ku, Sapporo 060-8628 (Japan)

    2016-10-21

    The performance of a diamond detector created from a single-crystal diamond grown by chemical vapor deposition was studied for application in detecting charged particles having energies ranging from 100 keV to 2 MeV. Energy peaks of different low-energy ions were clearly observed. However, we observed that the pulse height for individual incident ions decreases with increasing atomic number of the ions. We estimated the charge collection efficiency of the generated charge carriers by the incident charged particles. The charge collection efficiencies are 97.0 ± 0.7% for 2 MeV helium-ions (He{sup +}). On the other hand, compared with that of He{sup +}, silicon-ions (Si{sup +}) and gold-ions (Au{sup 3+}) show low charge collection efficiency: 70.6 ± 2.2% and 29.5 ± 4.2% for 2 MeV-Si{sup +} and 2 MeV-Au{sup 3+}, respectively. We also found that the charge collection efficiency decreases as the generated charge density inside the diamond crystal increases.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  8. A fast, low power and low noise charge sensitive amplifier ASIC for a UV imaging single photon detector

    Science.gov (United States)

    Seljak, A.; Cumming, H. S.; Varner, G.; Vallerga, J.; Raffanti, R.; Virta, V.

    2017-04-01

    NASA has funded, through their Strategic Astrophysics Technology (SAT) program, the development of a cross strip (XS) microchannel plate (MCP) detector with the intention to increase its technology readiness level (TRL), enabling prototyping for future NASA missions. One aspect of the development is to convert the large and high powered laboratory Parallel Cross Strip (PXS) readout electronics into application specific integrated circuits (ASICs) to decrease their mass, volume, and power consumption (all limited resources in space) and to make them more robust to the environments of rocket launch and space. The redesign also foresees to increase the overall readout event rate, and decrease the noise contribution of the readout system. This work presents the design and verification of the first stage for the new readout system, the 16 channel charge sensitive amplifier ASIC, called the CSAv3. The single channel amplifier is composed of a charge sensitive amplifier (pre-amplifier), a pole zero cancellation circuit and a shaping amplifier. An additional output stage buffer allows polarity selection of the output analog signal. The operation of the amplifier is programmable via serial bus. It provides an equivalent noise charge (ENC) of around 600 e^- and a baseline gain of 10 mV/fC. The full scale pulse shaped output signal is confined within 100 ns, without long recovery tails, enabling up to 10 MHz periodic event rates without signal pile up. This ASIC was designed and fabricated in 130 nm, TSMC CMOS 1.2 V technology. In addition, we briefly discuss the construction of the readout system and plans for the future work.

  9. 29 CFR 779.223 - Control where ownership vested in individual or single organization.

    Science.gov (United States)

    2010-07-01

    ... organization. 779.223 Section 779.223 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION... in individual or single organization. Ownership, sufficient to exercise “control,” of course, exists where total ownership is vested in a single person, family unit, partnership, corporation, or other...

  10. Dihedral angle control to improve the charge transport properties of conjugated polymers in organic field effect transistors

    Science.gov (United States)

    Dharmapurikar, Satej S.; Chithiravel, Sundaresan; Mane, Manoj V.; Deshmukh, Gunvant; Krishnamoorthy, Kothandam

    2018-03-01

    Diketopyrrolopyrrole (DPP) and i-Indigo (i-Ind) are two monomers that are widely explored as active materials in organic field effect transistor and solar cells. These two molecules showed impressive charge carrier mobility due to better packing that are facilitated by quadrupoles. We hypothesized that the copolymers of these monomers would also exhibit high charge carrier mobility. However, we envisioned that the dihedral angle at the connecting point between the monomers will play a crucial role in packing as well as charge transport. To understand the impact of dihedral angle on charge transport, we synthesized three copolymers, wherein the DPP was sandwiched between benzenes, thiophenes and furans. The copolymer of i-Indigo and furan comprising DPP showed a band gap of 1.4 eV with a very high dihedral angle of 179°. The polymer was found to pack better and the coherence length was found to be 112 Å. The hole carrier mobility of these polymer was found to be highest among the synthesized polymer i.e. 0.01 cm2/vs. The copolymer comprising benzene did not transport hole and electrons. The dihedral angle at the connecting point between i and Indigo and benzene DPP was 143 Å, which the packing and consequently charge transport properties.

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

    International Nuclear Information System (INIS)

    Bauer, Thilo; Jäger, Christof M.; Jordan, Meredith J. T.; Clark, Timothy

    2015-01-01

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

  12. Charge transferred doping of single layer graphene by mono-dispersed manganese-oxide nanoparticles adsorption

    Science.gov (United States)

    Phan, Thanh Luan; Kang, Myunggoo; Choi, Soo Ho; Kim, You Joong; Jung, Hyun; Yoon, Im Taek; Yang, Woochul

    2017-10-01

    We report an efficient and controllable method to introduce p-type doping in graphene by decoration with Mn3O4 nanoparticles (NPs) on mechanically exfoliated single layer graphene. A monolayer of Mn3O4 NPs, with a diameter in the range of 5-10 nm, was decorated on a graphene film using an ex-situ method, whereas by controlling the coverage of the NPs on the graphene surface, the carrier concentration could be continually adjusted. The p-type of the NP-decorated single layer graphene was confirmed by the Raman G-band. It was found that the carrier concentration could be gradually adjusted up to 26.09 × 1012 cm-2, with 90% coverage of Mn3O4 NPs. The Dirac point of the pristine graphene at the gate bias of 27 V shifted to 150 V for Mn3O4 NP decorated graphene. The p-type graphene doped with Mn3O4 NPs demonstrated significant high air-stability, even under an oxygen atmosphere for 60 days. This approach allows for the opportunity for simple, scalable, and highly stable doping of graphene for future high-performance electronic device applications.

  13. Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

    KAUST Repository

    Gruenewald, Marco

    2015-02-11

    We investigate the prototypical hybrid interface formed between PTCDA and conductive n-doped ZnO films by means of complementary optical and electronic spectroscopic techniques. We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.

  14. Longitudinal transport coefficients of a magnetized plasma consisting of hydrogen and a single impurity element in arbitrarily populated charge states

    International Nuclear Information System (INIS)

    Claassen, H.A.; Gerhauser, H.; El-Sharif, R.N.

    1991-01-01

    The coefficients determining the transport processes along the magnetic field in a magnetized plasma consisting of electrons, protons/deuterons and impurity ions in various charge states have been calculated on the basis of Grad's 21 moment approximation. Assuming a single impurity element, the determinants appearing in the transport coefficients are evaluated analytically for arbitrary ratios m z /m + between the impurity and hydrogen masses. The general formulae are then simplified for the important case m z /m + ≥ 1 and compared with existing data given by V.M. Zhdanov et al. and Yu.L. Igitkhanov et al. Whereas with minor modifications the proton/deuteron and electron coefficients agree well, there are remarkable differences in the impurity ion transport coefficients, which are discussed. (orig.)

  15. Probing single- to multi-cell level charge transport in Geobacter sulfurreducens DL-1.

    Science.gov (United States)

    Jiang, Xiaocheng; Hu, Jinsong; Petersen, Emily R; Fitzgerald, Lisa A; Jackan, Charles S; Lieber, Alexander M; Ringeisen, Bradley R; Lieber, Charles M; Biffinger, Justin C

    2013-01-01

    Microbial fuel cells, in which living microorganisms convert chemical energy into electricity, represent a potentially sustainable energy technology for the future. Here we report the single-bacterium level current measurements of Geobacter sulfurreducens DL-1 to elucidate the fundamental limits and factors determining maximum power output from a microbial fuel cell. Quantized stepwise current outputs of 92(±33) and 196(±20) fA are generated from microelectrode arrays confined in isolated wells. Simultaneous cell imaging/tracking and current recording reveals that the current steps are directly correlated with the contact of one or two cells with the electrodes. This work establishes the amount of current generated by an individual Geobacter cell in the absence of a biofilm and highlights the potential upper limit of microbial fuel cell performance for Geobacter in thin biofilms.

  16. Photoconversion of organic materials into single-cell protein

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, P.F.

    1991-12-31

    A process is described for converting organic materials (such as biomass wastes) into sterile, high-grade bacterial protein suitable for use an animal feed or human food supplements. In a preferred embodiment the process involves thermally gasifying the organic material into primarily carbon monoxide, hydrogen and nitrogen products, followed by photosynthetic bacterial assimilation of the gases into cell material, which can be high as 65% protein. The process is ideally suited for waste recycling and for food production under zero-gravity or extra-terrestrial conditions.

  17. Effect of inorganic and organic depressants on the cationic flotation and surface charge of rhodonite-rhodochrosite

    OpenAIRE

    Duarte, Renata Santos; Lima, Rosa Malena Fernandes; Leão, Versiane Albis

    2015-01-01

    Abstract Silicates (rhodonite, tephroite, spessartine) and the carbonate (rhodochrosite) of manganese are of economic interest in silicate-carbonated manganese ores. The recovery of both mineral classes by flotation constitutes a challenge; rhodochrosite is a slightly soluble mineral that can release Mn2+ ions in pulp. In this work, the effects of inorganic and organic depressants on the cationic flotation at pH 10 with ether amine acetate and the surface charges of rhodonite and rhodochrosit...

  18. Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

    Science.gov (United States)

    Verma, Pragya; Truhlar, Donald G

    2017-05-24

    Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange-correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn-Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. In this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree-Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39

  19. The Charging Process in a High-speed, Single-cylinder, Four-stroke Engine

    Science.gov (United States)

    Reynolds, Blake; Schecter, Harry; Taylor, E S

    1939-01-01

    Experimental measurements and theoretical calculations were made on an aircraft-type, single cylinder engine, in order to determine the physical nature of the inlet process, especially at high piston speeds. The engine was run at speeds from 1,500 to 2,600 r.p.m. (mean piston speeds of 1,370 to 2,380 feet per minute). Measurements were made of the cylinder pressure during the inlet stroke and of the power output and volumetric efficiency. Measurements were also made, with the engine not running, to determine the resistance and mass of air in the inlet valve port at various crank angles. Results of analysis indicate that mass has an appreciable effect, but friction plays the major part in restricting flow. The observed fact that the volumetric efficiency is considerably less than 100 percent is attributed to thermal effects. An estimate was made of the magnitude of these effects in the present case, and their general nature is discussed.

  20. An Infrared Probe of Charge Dynamics in High Mobility Organic Semiconductors

    Science.gov (United States)

    2013-02-01

    spectroscopy. IR spectroscopy was employed to characterize polymer systems integrated in the architecture of organic field-effect transistors ( OFET ... OFETs . The PI proposed to investigate modification of the electronic properties at the surface of organic semiconductors controlled by self-assembled...organic field-effect transistors ( OFET ). These experiments allowed the PI to determine: i) the excitations of the studied organic semiconductors, and

  1. Charge carrier transport in organic field-effect devices based on copper-phthalocyanine

    OpenAIRE

    Kraus, Michael

    2011-01-01

    Organic semiconductors have developed to a possible alternative or supplement to the classic inorganic semiconductor technology for the last couple of years. Nowadays, one works on the application of organic semiconductors primarily in three different fields: organic light emitting diodes (OLEDs), organic field-effect transistors (OFETs) and organic photovoltaic cells (OPVCs). Thereby, the possibility to use flexible and transparent substrates is a major improvement compared to inorganic devi...

  2. Charge transport in dual-gate organic field-effect transistors

    NARCIS (Netherlands)

    Brondijk, J.J.; Spijkman, M.; Torricelli, F.; Blom, P.W.M.; Leeuw, D.M. de

    2012-01-01

    The charge carrier distribution in dual-gate field-effect transistors is investigated as a function of semiconductor thickness. A good agreement with 2-dimensional numerically calculated transfer curves is obtained. For semiconductor thicknesses larger than the accumulation width, two spatially

  3. Study of smell and reproductive organs in a mouse model for CHARGE syndrome

    NARCIS (Netherlands)

    Bergman, Jorieke E. H.; Bosman, Erika A.; van Ravenswaaij-Arts, Conny M. A.; Steel, Karen P.

    CHARGE syndrome is a multiple congenital anomaly syndrome characterised by Coloboma, Heart defects, Atresia of choanae, Retardation of growth and/or development, Genital hypoplasia, and Ear anomalies often associated with deafness. It is caused by heterozygous mutations in the CHD7 gene and shows a

  4. Charge-Transfer States in Organic Solar Cells: Understanding the Impact of Polarization, Delocalization, and Disorder

    KAUST Repository

    Zheng, Zilong

    2017-05-08

    We investigate the impact of electronic polarization, charge delocalization, and energetic disorder on the charge-transfer (CT) states formed at a planar C60/pentacene interface. The ability to examine large complexes containing up to seven pentacene molecules and three C60 molecules allows us to take explicitly into account the electronic polarization effects. These complexes are extracted from a bilayer architecture modeled by molecular dynamics simulations and evaluated by means of electronic-structure calculations based on long-range-separated functionals (ωB97XD and BNL) with optimized range-separation parameters. The energies of the lowest charge-transfer states derived for the large complexes are in very good agreement with the experimentally reported values. The average singlet-triplet energy splittings of the lowest CT states are calculated not to exceed 10 meV. The rates of geminate recombination as well as of dissociation of the triplet excitons are also evaluated. In line with experiment, our results indicate that the pentacene triplet excitons generated through singlet fission can dissociate into separated charges on a picosecond time scale, despite the fact that their energy in C60/pentacene heterojunctions is slightly lower than the energies of the lowest CT triplet states.

  5. Study of CP-violating charge asymmetries of single muons and like-sign dimuons in p pbar collisions

    Czech Academy of Sciences Publication Activity Database

    Abazov, V. M.; Abbott, B.; Acharya, B.S.; Kupčo, Alexander; Lokajíček, Miloš

    2014-01-01

    Roč. 89, č. 1 (2014), "012002-1"-"012002-31" ISSN 1550-7998 R&D Projects: GA MŠk(CZ) LG12006 Institutional support: RVO:68378271 Keywords : D0 * Fermilab * charge asymmetry * CP violation * same sign * charge: asymmetry * dimuon * charge * muon * charge * meson * mixing * width difference Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 4.643, year: 2014

  6. Exclusion of exotic top-like quarks with -4/3 electric charge using jet-charge tagging in single-lepton ttbar events at CDF

    CERN Document Server

    Aaltonen, T.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Arisawa, T.; Artikov, A.; Asaadi, J.; Ashmanskas, W.; Auerbach, B.; Aurisano, A.; Azfar, F.; Badgett, W.; Bae, T.; Barbaro-Galtieri, A.; Barnes, V.E.; Barnett, B.A.; Barria, P.; Bartos, P.; Bauce, M.; Bedeschi, F.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Bhatti, A.; Bland, K.R.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Boisvert, V.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brigliadori, L.; Bromberg, C.; Brucken, E.; Budagov, J.; Budd, H.S.; Burkett, K.; Busetto, G.; Bussey, P.; Butti, P.; Buzatu, A.; Calamba, A.; Camarda, S.; Campanelli, M.; Canelli, F.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chen, Y.C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Cho, K.; Chokheli, D.; Ciocci, M.A.; Clark, A.; Clarke, C.; Convery, M.E.; Conway, J.; Corbo, M.; Cordelli, M.; Cox, C.A.; Cox, D.J.; Cremonesi, M.; Cruz, D.; Cuevas, J.; Culbertson, R.; d'Ascenzo, N.; Datta, M.; de Barbaro, P.; Demortier, L.; Deninno, M.; d'Errico, M.; Devoto, F.; Di Canto, A.; Di Ruzza, B.; Dittmann, J.R.; D'Onofrio, M.; Donati, S.; Dorigo, M.; Driutti, A.; Ebina, K.; Edgar, R.; Elagin, A.; Erbacher, R.; Errede, S.; Esham, B.; Eusebi, R.; Farrington, S.; Fernandez Ramos, J.P.; Field, R.; Flanagan, G.; Forrest, R.; Franklin, M.; Freeman, J.C.; Frisch, H.; Funakoshi, Y.; Garfinkel, A.F.; Garosi, P.; Gerberich, H.; Gerchtein, E.; Giagu, S.; Giakoumopoulou, V.; Gibson, K.; Ginsburg, C.M.; Giokaris, N.; Giromini, P.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldin, D.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; Gonzalez Lopez, O.; Gorelov, I.; Goshaw, A.T.; Goulianos, K.; Gramellini, E.; Grinstein, S.; Grosso-Pilcher, C.; Group, R.C.; Guimaraes da Costa, J.; Hahn, S.R.; Han, J.Y.; Happacher, F.; Hara, K.; Hare, M.; Harr, R.F.; Harrington-Taber, T.; Hatakeyama, K.; Hays, C.; Heinrich, J.; Herndon, M.; Hocker, A.; Hong, Z.; Hopkins, W.; Hou, S.; Hughes, R.E.; Husemann, U.; Hussein, M.; Huston, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E.J.; Jindariani, S.; Jones, M.; Joo, K.K.; Jun, S.Y.; Junk, T.R.; Kambeitz, M.; Kamon, T.; Karchin, P.E.; Kasmi, A.; Kato, Y.; Ketchum, W.; Keung, J.; Kilminster, B.; Kim, D.H.; Kim, H.S.; Kim, J.E.; Kim, M.J.; Kim, S.B.; Kim, S.H.; Kim, Y.J.; Kim, Y.K.; Kimura, N.; Kirby, M.; Knoepfel, K.; Kondo, K.; Kong, D.J.; Konigsberg, J.; Kotwal, A.V.; Kreps, M.; Kroll, J.; Kruse, M.; Kuhr, T.; Kurata, M.; Laasanen, A.T.; Lammel, S.; Lancaster, M.; Lannon, K.; Latino, G.; Lee, H.S.; Lee, J.S.; Leo, S.; Leone, S.; Lewis, J.D.; Limosani, A.; Lipeles, E.; Lister, A.; Liu, H.; Liu, Q.; Liu, T.; Lockwitz, S.; Loginov, A.; Luca, A.; Lucchesi, D.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lys, J.; Lysak, R.; Madrak, R.; Maestro, P.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, P.; Martinez, M.; Matera, K.; Mattson, M.E.; Mazzacane, A.; Mazzanti, P.; McFarland, K.S.; McNulty, R.; Mehta, A.; Mehtala, P.; Mesropian, C.; Miao, T.; Mietlicki, D.; Mitra, A.; Miyake, H.; Moed, S.; Moggi, N.; Moon, C.S.; Moore, R.; Morello, M.J.; Mukherjee, A.; Muller, Th.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Naganoma, J.; Nakano, I.; Napier, A.; Nett, J.; Neu, C.; Nigmanov, T.; Nodulman, L.; Noh, S.Y.; Norniella, O.; Oakes, L.; Oh, S.H.; Oh, Y.D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Ortolan, L.; Pagliarone, C.; Palencia, E.; Palni, P.; Papadimitriou, V.; Parker, W.; Pauletta, G.; Paulini, M.; Paus, C.; Phillips, T.J.; Piacentino, G.; Pianori, E.; Pilot, J.; Pitts, K.; Plager, C.; Pondrom, L.; Poprocki, S.; Potamianos, K.; Pranko, A.; Prokoshin, F.; Ptohos, F.; Punzi, G.; Ranjan, N.; Redondo Fernandez, I.; Renton, P.; Rescigno, M.; Rimondi, F.; Ristori, L.; Robson, A.; Rodriguez, T.; Rolli, S.; Ronzani, M.; Roser, R.; Rosner, J.L.; Ruffini, F.; Ruiz, A.; Russ, J.; Rusu, V.; Sakumoto, W.K.; Sakurai, Y.; Santi, L.; Sato, K.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, E.E.; Schwarz, T.; Scodellaro, L.; Scuri, F.; Seidel, S.; Seiya, Y.; Semenov, A.; Sforza, F.; Shalhout, S.Z.; Shears, T.; Shepard, P.F.; Shimojima, M.; Shochet, M.; Shreyber-Tecker, I.; Simonenko, A.; Sinervo, P.; Sliwa, K.; Smith, J.R.; Snider, F.D.; Song, H.; Sorin, V.; Stancari, M.; St. Denis, R.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Sudo, Y.; Sukhanov, A.; Suslov, I.; Takemasa, K.; Takeuchi, Y.; Tang, J.; Tecchio, M.; Teng, P.K.; Thom, J.; Thomson, E.; Thukral, V.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Totaro, P.; Trovato, M.; Ukegawa, F.; Uozumi, S.; Vazquez, F.; Velev, G.; Vellidis, C.; Vernieri, C.; Vidal, M.; Vilar, R.; Vizan, J.; Vogel, M.; Volpi, G.; Wagner, P.; Wallny, R.; Wang, S.M.; Warburton, A.; Waters, D.; Wester, W.C., III; Whiteson, D.; Wicklund, A.B.; Wilbur, S.; Williams, H.H.; Wilson, J.S.; Wilson, P.; Winer, B.L.; Wittich, P.; Wolbers, S.; Wolfe, H.; Wright, T.; Wu, X.; Wu, Z.; Yamamoto, K.; Yamato, D.; Yang, T.; Yang, U.K.; Yang, Y.C.; Yao, W.M.; Yeh, G.P.; Yi, K.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G.B.; Yu, I.; Zanetti, A.M.; Zeng, Y.; Zhou, C.; Zucchelli, S.

    2013-08-05

    We report on a measurement of the top-quark electric charge in ttbar events in which one W boson originating from the top-quark pair decays into leptons and the other into hadrons. The event sample was collected by the CDF II detector in sqrt(s)=1.96 TeV proton-antiproton collisions and corresponds to 5.6 fb^(-1). We find the data to be consistent with the standard model and exclude the existence of an exotic quark with -4/3 electric charge and mass of the conventional top quark at the 99% confidence level.

  7. Effect of low-molecular-weight organic acids on the adsorption of norfloxacin in typical variable charge soils of China.

    Science.gov (United States)

    Zhang, Jin-qiang; Dong, Yuan-hua

    2008-03-01

    Batch equilibrium experiments were used to study the adsorption of norfloxacin (NOR) onto three kinds of variable charge soils in China, namely Rho-Udic Ferralisols collected from Yunnan, Ali-Perudic Ferrisols collected from Jiangxi and Typ-Hap-Udic Ferralisols collected from Guangdong. Results show that NOR is strongly adsorbed by the soils, with lg Kd-values (linear model) of 4.41+/-0.01, 4.50+/-0.02, 4.44+/-0.01 and lg Kf-values (Freundlich model) of 4.32, 4.45, 3.08 for the three tested soils, respectively. Both curves of the Freundlich equation and Langmuir equation for the three soils were in excellent linear correlation. Low-molecular-weight (LMW) organic acids, including citric acid, malic acid and salicylic acid were added in the presence of acetate buffer (pH 4.5) to test their effects on NOR adsorption. It was observed that the addition of LMW organic acids inhibited the NOR adsorption process. It was assumed that several effects, including soil pH, solid surface charge and competitive adsorption of co-existing cations, dominated the NOR sorption processes onto variable charge soils. Further studies should be performed to reveal the mechanism of the adsorption.

  8. Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time Resolved Spectroscopy

    KAUST Repository

    Maity, Partha

    2018-04-02

    Understanding of the fundamentals behind charge carriers of photo-catalytic materials are still illusive hindering progress in our quest for renewable energy. TiO2 anatase and rutile are the most understood phases in photo-catalysis and serve as the best model for fundamental studies. Their ultrafast charge carrier dynamics especially on TiO2 anatase single crystal (the most active phase) are unresolved. Here femtosecond time resolved spectroscopy (TRS) was carried out to explore the dynamics of photo-excited charge carriers’ recombination in anatase single crystal, for the first time using pump fluence effects, and compares it to that of the rutile single crystal. A significant difference in charge carrier recombination rates between both crystals is observed. We found that the time constants for carrier recombination are two orders of magnitude slower for anatase (101) when compared to those of rutile (110). Moreover, bulk defects introduced by reduction of the samples via annealing in ultra-high vacuum resulted in faster recombination rates for both polymorphs. Both states (fresh and reduced) probed by pump fluence dependence measurements revealed that the major recombination channel in fresh and reduced anatase and reduced rutile is the first-order Shockley–Reed mediated. However, for fresh rutile, third-body Auger recombination was observed, attributed to the presence of higher density of intrinsic charge carriers. At all excitation wavelengths and fluence investigated, anatase (101) single crystal show longer charge carrier lifetime when compared to rutile (110) single. This may explain the superiority of the anatase phase for the electron transfer H+ reduction to molecular hydrogen.

  9. Symmetry-Breaking Charge Transfer in a Zinc Chlorodipyrrin Acceptor for High Open Circuit Voltage Organic Photovoltaics

    KAUST Repository

    Bartynski, Andrew N.

    2015-04-29

    © 2015 American Chemical Society. Low open-circuit voltages significantly limit the power conversion efficiency of organic photovoltaic devices. Typical strategies to enhance the open-circuit voltage involve tuning the HOMO and LUMO positions of the donor (D) and acceptor (A), respectively, to increase the interfacial energy gap or to tailor the donor or acceptor structure at the D/A interface. Here, we present an alternative approach to improve the open-circuit voltage through the use of a zinc chlorodipyrrin, ZCl [bis(dodecachloro-5-mesityldipyrrinato)zinc], as an acceptor, which undergoes symmetry-breaking charge transfer (CT) at the donor/acceptor interface. DBP/ZCl cells exhibit open-circuit voltages of 1.33 V compared to 0.88 V for analogous tetraphenyldibenzoperyflanthrene (DBP)/C60-based devices. Charge transfer state energies measured by Fourier-transform photocurrent spectroscopy and electroluminescence show that C60 forms a CT state of 1.45 ± 0.05 eV in a DBP/C60-based organic photovoltaic device, while ZCl as acceptor gives a CT state energy of 1.70 ± 0.05 eV in the corresponding device structure. In the ZCl device this results in an energetic loss between ECT and qVOC of 0.37 eV, substantially less than the 0.6 eV typically observed for organic systems and equal to the recombination losses seen in high-efficiency Si and GaAs devices. The substantial increase in open-circuit voltage and reduction in recombination losses for devices utilizing ZCl demonstrate the great promise of symmetry-breaking charge transfer in organic photovoltaic devices.

  10. Effect of multiple plasmon excitation on single, double and multiple ionizations of C60 in collisions with fast highly charged Si ions

    International Nuclear Information System (INIS)

    Kelkar, A H; Kadhane, U; Misra, D; Kumar, A; Tribedi, L C

    2007-01-01

    We have investigated the single and multiple ionizations of the C 60 molecule in collisions with fast Si q+ projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process

  11. Effect of multiple plasmon excitation on single, double and multiple ionizations of C60 in collisions with fast highly charged Si ions

    Science.gov (United States)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Kumar, A.; Tribedi, L. C.

    2007-06-01

    We have investigated the single and multiple ionizations of the C60 molecule in collisions with fast Siq+ projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process.

  12. Effect of multiple plasmon excitation on single, double and multiple ionizations of C{sub 60} in collisions with fast highly charged Si ions

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, A H; Kadhane, U; Misra, D; Kumar, A; Tribedi, L C [Tata Institute of Fundamental Research, Colaba, Mumbai -5 (India)

    2007-06-28

    We have investigated the single and multiple ionizations of the C{sub 60} molecule in collisions with fast Si{sup q+} projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process.

  13. Organic Chemistry Students' Ideas about Nucleophiles and Electrophiles: The Role of Charges and Mechanisms

    Science.gov (United States)

    Anzovino, Mary E.; Bretz, Stacey Lowery

    2015-01-01

    Organic chemistry students struggle with reaction mechanisms and the electron-pushing formalism (EPF) used by practicing organic chemists. Faculty have identified an understanding of nucleophiles and electrophiles as one conceptual prerequisite to mastery of the EPF, but little is known about organic chemistry students' knowledge of nucleophiles…

  14. Helical cylinders or multicompartment cylinders through the solution assembly of charged block copolymers with multivalent organic counterions

    Science.gov (United States)

    Pochan, Darrin; Zhong, Sheng; Cui, Honggang; Chen, Zhiyun; Wooley, Karen

    2008-03-01

    By manipulating the interaction of charged block copolymer hydrophilic corona blocks with multivalent organic counterions, and controlling the kinetics of block copolymer solution self-assembly, desired micelle geometries can be formed. Specifically, polyacrylic acid-b-polymethylacrylate-b-polystyrene amphiphilic triblock copolymers were studied in water/THF solvent mixtures with organic multiamines as counterions. By manipulating block copolymer and solvent composition, different micelle geometries were formed. However, by altering the chemical structure and/or concentration of the multiamine counterions, as well as the kinetic pathway through which the molecules are assembled, complex nanostructures were formed. An example of nanostructure from kinetic control includes spherical micelles that can be controllably assembled into 1-d multicompartment cylinders. Examples of nanostructure from control of the type and amount of multivalent organic counterion added are helical cylinder superstructures many micrometers in length. The system has been investigated by means of cryogenic transmission electron microscopy (cryo-TEM) and small angle neutron scattering (SANS).

  15. Sensitized charge carrier injection into organic crystals studied by isotope effects in weak magnetic fields

    International Nuclear Information System (INIS)

    Bube, W.; Michel-Beyerle, M.E.; Haberkorn, R.; Steffens, E.

    1977-01-01

    The magnetic field (H approximately 50 Oe) dependence of the rhodamine sensitized triplet exciton density in anthracene crystals is influenced by isotopic substitution. This confirms the hyperfine interaction as mechanism explaining the change of the spin multiplicity in the initially formed singlet state of the radical pair. The isotope effect occurs in the sensitizing dye ( 14 N/ 15 N) rather than at the molecular site of the injected charge within the crystal. This can be understood in terms of the high hopping frequency of the charge carriers as compared to the time constant of the hyperfine induced singlet-triplet transition. Since the dye molecules adsorb in an oriented fashion, the angular dependence of the magnetic field modulation of the triplet exciton density can be interpreted without assuming any additional interactions. (Auth.)

  16. Measurement and Calculation of Absolute Single- and Multiple-Charge-Exchange Cross Sections for Feq+ Ions Impacting CO and CO2

    Energy Technology Data Exchange (ETDEWEB)

    Simcic, J. [Jet Propulsion Laboratory/Caltech; Schultz, David Robert [ORNL; Mawhorter, R. J. [Pomona College; Cadez, I. [Jozef Stefan Institute, Slovenia; Greenwood, J. B. [Queen' s University, Belfast; Chutjian, A. [Jet Propulsion Laboratory/Caltech; Lisse, Carey M. [Johns Hopkins University; Smith, S. J. [Indiana Wesleyan University, Marion

    2010-01-01

    Absolute cross sections are reported for single, double, and triple charge exchange of Feq+ (q=5- 13) ions with CO and CO2. The highly-charged Fe ions are generated in an electron cyclotron resonance ion source. Absolute data are derived from knowledge of the target gas pressure, target path length, and incident and charge-exchanged ion currents. Experimental results are compared with new calculations of these cross sections in the n-electron classical trajectory Monte-Carlo approximation, in which the ensuing radiative and non-radiative cascades are approximated with scaled hydrogenic transition probabilities and scaled Auger rates. The present data are needed in astrophysical applications of solar- and stellar-wind charge-exchange with comets, planetary atmospheres, and circumstellar clouds.

  17. Charge transport in organic materials: From molecular wire to 3D systems

    Czech Academy of Sciences Publication Activity Database

    Nešpůrek, Stanislav; Toman, Petr; Menšík, Miroslav; Kratochvílová, Irena; Sworakowski, J.; Mallouk, T. E.

    2007-01-01

    Roč. 9, č.1 (2007), s. 134-140 ISSN 1454-4164 R&D Projects: GA AV ČR KAN401770651; GA AV ČR IAA401770601 Grant - others:Polish Ministry of Science(PL) 3T08E 08430 Institutional research plan: CEZ:AV0Z40500505; CEZ:AV0Z10100520 Keywords : charge transport * molecular wire * polaron Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.827, year: 2007

  18. Measuring the Thickness and Potential Profiles of the Space-Charge Layer at Organic/Organic Interfaces under Illumination and in the Dark by Scanning Kelvin Probe Microscopy.

    Science.gov (United States)

    Rojas, Geoffrey A; Wu, Yanfei; Haugstad, Greg; Frisbie, C Daniel

    2016-03-09

    Scanning Kelvin probe microscopy was used to measure band-bending at the model donor/acceptor heterojunction poly(3-hexylthiophene) (P3HT)/fullerene (C60). Specifically, we measured the variation in the surface potential of C60 films with increasing thicknesses grown on P3HT to produce a surface potential profile normal to the substrate both in the dark and under illumination. The results confirm a space-charge carrier region with a thickness of 10 nm, consistent with previous observations. We discuss the possibility that the domain size in bulk heterojunction organic solar cells, which is comparable to the space-charge layer thickness, is actually partly responsible for less than expected electron/hole recombination rates.

  19. Single and multiple ionization of C60 fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

    Science.gov (United States)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Gulyas, L.; Tribedi, L. C.

    2010-10-01

    We have measured absolute cross sections for single, double, triple, and quadruple ionization of C60 in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR model predictions was found for all projectile charge states.

  20. Single and multiple ionization of C60 fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

    International Nuclear Information System (INIS)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Tribedi, L. C.; Gulyas, L.

    2010-01-01

    We have measured absolute cross sections for single, double, triple, and quadruple ionization of C 60 in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR model predictions was found for all projectile charge states.

  1. Single-electron charging effects and implications for tunneling measurements of the high-T/sub c/ superconductors

    International Nuclear Information System (INIS)

    Barner, J.B.; Honkanen, M.J.; Ruggiero, S.T.; Mullen, K.; Ben-Jacob, E.; Pelton, A.R.; Michigan Univ., Ann Arbor, MI

    1989-01-01

    The authors present a theory for the dynamics of two voltage-biased, ultra-small-capacitance tunnel junctions connected in series when one or more electrodes are superconducting and experiments performed on parallel arrays of such junctions. Using the semiclassical model, they find that the I-V characteristics display steps and therefore multiple peaks in dI/dV, corresponding to the time-average occupation of the interjunction region by integral numbers of electrons. The voltage at which the first step is located depends on the superconducting gap, Δ(T), and the capacitances of the junctions. The spacing between subsequent steps depends solely on the capacitances. They discuss electron tunneling results performed on metal/Al/sub 2/O/sub 3//2-10 nm-diameter metal particles/Al/sub 2/O/sub 3//metal junctions where this multiple-peak structure is observed. They present preliminary tunneling results in junctions employing Pb-particles, where they observe a shift of the peaks when the sample is cooled below T/sub c/ of Pb consistent with theory. Taken together, these results indicate that the multiple-peak structure commonly observed in tunneling data of high-T/sub c/ oxide superconductors can be explained in terms of charging effects in a material with a single superconducting gap. Finally, they discuss possible applications in a new type of transistor element

  2. Charge transport and glassy dynamics of poly(ethylene oxide)-based single-ion conductors under geometrical confinement

    Science.gov (United States)

    Runt, James; Iacob, Ciprian

    2015-03-01

    Segmental and local dynamics as well as charge transport are investigated in a series of poly(ethylene oxide)-based single-ion conductors (ionomers) with varying counterions (Li +, Na +) confined in uni-directional nanoporous silica membranes. The dynamics are explored over a wide frequency and temperature range by broadband dielectric relaxation spectroscopy. Slowing of segmental dynamics and a decrease in dc conductivity (strongly coupled with segmental relaxation) of the confined ionomers are associated with surface effects - resulting from interfacial hydrogen bonding between the host nanoporous silica membrane and the guest ionomers. These effects are significantly reduced or eliminated upon pore surface modification through silanization. The primary transport properties for the confined ionomers decrease by about one decade compared to the bulk ionomer. A model assuming reduced mobility of an adsorbed layer at the pore wall/ionomer interface is shown to provide a quantitative explanation for the decrease in effective transport quantities in non-silanized porous silica membranes. Additionally, the effect of confinement on ion aggregation in ionomers by using X-ray scattering will also be discussed. Supported by the National Science Foundation, Polymers Program.

  3. Active and fast charge-state switching of single NV centres in diamond by in-plane Al-Schottky junctions

    Directory of Open Access Journals (Sweden)

    Christoph Schreyvogel

    2016-11-01

    Full Text Available In this paper, we demonstrate an active and fast control of the charge state and hence of the optical and electronic properties of single and near-surface nitrogen-vacancy centres (NV centres in diamond. This active manipulation is achieved by using a two-dimensional Schottky-diode structure from diamond, i.e., by using aluminium as Schottky contact on a hydrogen terminated diamond surface. By changing the applied potential on the Schottky contact, we are able to actively switch single NV centres between all three charge states NV+, NV0 and NV− on a timescale of 10 to 100 ns, corresponding to a switching frequency of 10–100 MHz. This switching frequency is much higher than the hyperfine interaction frequency between an electron spin (of NV− and a nuclear spin (of 15N or 13C for example of 2.66 kHz. This high-frequency charge state switching with a planar diode structure would open the door for many quantum optical applications such as a quantum computer with single NVs for quantum information processing as well as single 13C atoms for long-lifetime storage of quantum information. Furthermore, a control of spectral emission properties of single NVs as a single photon emitters – embedded in photonic structures for example – can be realized which would be vital for quantum communication and cryptography.

  4. Charge exchange, surface-induced dissociation and reactions of doubly charged molecular ions SF42+ upon impact on a stainless steel surface: A comparison with surface-induced dissociation of singly charged SF4+ molecular ions

    Czech Academy of Sciences Publication Activity Database

    Feketeová, L.; Grill, V.; Zappa, F.; Endstrasser, N.; Rasul, B.; Herman, Zdeněk; Scheier, P.; Märk, T. D.

    2008-01-01

    Roč. 276, č. 1 (2008), s. 37-42 ISSN 1387-3806 Institutional research plan: CEZ:AV0Z40400503 Keywords : doubly charged ion * surface-induced dissociations * surface-induced reaction * charge exchange Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.445, year: 2008

  5. Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene–Fullerene Complex: Implications for Organic Solar Cells

    KAUST Repository

    Joseph, Saju

    2017-10-02

    We characterize the dynamic nature of the lowest excited state in a pentacene/C60 complex on the femtosecond time scale, via a combination of ab initio molecular dynamics and time-dependent density functional theory. We analyze the correlations between the molecular vibrations of the complex and the oscillations in the electron-transfer character of its lowest excited state, which point to vibration-induced coherences between the (pentacene-based) local-excitation (LE) state and the complex charge-transfer (CT) state. We discuss the implications of our results on this model system for the exciton-dissociation process in organic solar cells.

  6. 77 FR 57567 - Single Source Cooperative Agreement Award for World Health Organization

    Science.gov (United States)

    2012-09-18

    ... notification to World Health Organization (WHO) as soon as possible, and any confirmed smallpox case would... DEPARTMENT OF HEALTH AND HUMAN SERVICES Single Source Cooperative Agreement Award for World Health Organization AGENCY: Department of Health and Human Services (HHS), Assistant Secretary for Preparedness and...

  7. 75 FR 48691 - Single Source Cooperative Agreement Award for the World Health Organization (WHO) To Continue...

    Science.gov (United States)

    2010-08-11

    ... Agreement Award for the World Health Organization (WHO) To Continue Development of Sustainable Influenza... countries worldwide via a cooperative agreement with the World Health Organization (WHO). The WHO has proven... DEPARTMENT OF HEALTH AND HUMAN SERVICES Single Source Cooperative Agreement Award for the World...

  8. Supersaturated Self-Assembled Charge-Selective Interfacial Layers for Organic Solar Cells

    Science.gov (United States)

    2014-11-24

    layers (IFLs) on the tin-doped indium oxide (ITO) anodes of organic photovoltaic (OPV) cells , a series of Ar2N-(CH2)n-SiCl3 precursors with Ar = 3,4...applications such as organic photovoltaics ,1−6 thin-film transistors ,7−9 and organic/ polymer light-emitting diodes.10−13 Using SAM surface mod- ification...oxide (ITO) anodes of organic photovoltaic (OPV) cells , a series of Ar2N-(CH2)n-SiCl3 precursors with Ar = 3,4-difluorophenyl, n = 3, 6, 10, and 18, was

  9. A Boltzmann-weighted hopping model of charge transport in organic semicrystalline films

    KAUST Repository

    Kwiatkowski, Joe J.

    2011-01-01

    We present a model of charge transport in polycrystalline electronic films, which considers details of the microscopic scale while simultaneously allowing realistically sized films to be simulated. We discuss the approximations and assumptions made by the model, and rationalize its application to thin films of directionally crystallized poly(3-hexylthiophene). In conjunction with experimental data, we use the model to characterize the effects of defects in these films. Our findings support the hypothesis that it is the directional crystallization of these films, rather than their defects, which causes anisotropic mobilities. © 2011 American Institute of Physics.

  10. Enhancement of efficiencies for tandem green phosphorescent organic light-emitting devices with a p-type charge generation layer

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Byung Soo; Jeon, Young Pyo; Lee, Dae Uk; Kim, Tae Whan, E-mail: twk@hanayng.ac.kr

    2014-10-15

    The operating voltage of the tandem green phosphorescent organic light-emitting device with a 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile layer was improved by 3% over that of the organic light-emitting device with a molybdenum trioxide layer. The maximum brightness of the tandem green phosphorescent organic light-emitting device at 21.9 V was 26,540 cd/m{sup 2}. The dominant peak of the electroluminescence spectra for the devices was related to the fac-tris(2-phenylpyridine) iridium emission. - Highlights: • Tandem OLEDs with CGL were fabricated to enhance their efficiency. • The operating voltage of the tandem OLED with a HAT-CN layer was improved by 3%. • The efficiency and brightness of the tandem OLED were 13.9 cd/A and 26,540 cd/m{sup 2}. • Efficiency of the OLED with a HAT-CN layer was lower than that with a MoO{sub 3} layer. - Abstract: Tandem green phosphorescent organic light-emitting devices with a 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile or a molybdenum trioxide charge generation layer were fabricated to enhance their efficiency. Current density–voltage curves showed that the operating voltage of the tandem green phosphorescent organic light-emitting device with a 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile layer was improved by 3% over that of the corresponding organic light-emitting device with a molybdenum trioxide layer. The efficiency and the brightness of the tandem green phosphorescent organic light-emitting device were 13.9 cd/A and 26,540 cd/m{sup 2}, respectively. The current efficiency of the tandem green phosphorescent organic light-emitting device with a 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile layer was lower by 1.1 times compared to that of the corresponding organic light-emitting device with molybdenum trioxide layer due to the decreased charge generation and transport in the 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile layer resulting from triplet–triplet exciton annihilation.

  11. Charge transfer state in DBP:C70 organic solar cells

    DEFF Research Database (Denmark)

    Sherafatipour, Golenaz; Benduhn, Johannes; Spoltore, Donato

    Organic solar cells (OSC) are green solar energy technology, which can be fabricated from organic compounds with cheep techniques and on flexible or transparent substrates such as plastic or glass. OSCs are cost efficient, and lightweight devices that can exhibit high power conversion efficiency...

  12. Irradiation of zinc single crystal with 500 keV singly-charged carbon ions: surface morphology, structure, hardness, and chemical modifications

    Science.gov (United States)

    Waqas Khaliq, M.; Butt, M. Z.; Saleem, Murtaza

    2017-07-01

    Cylindrical specimens of (1 0 4) oriented zinc single crystal (diameter  =  6 mm and length  =  5 mm) were irradiated with 500 keV C+1 ions with the help of a Pelletron accelerator. Six specimens were irradiated in an ultra-high vacuum (~10‒8 Torr) with different ion doses, namely 3.94  ×  1014, 3.24  ×  1015, 5.33  ×  1015, 7.52  ×  1015, 1.06  ×  1016, and 1.30  ×  1016 ions cm-2. A field emission scanning electron microscope (FESEM) was utilized for the morphological study of the irradiated specimens. Formation of nano- and sub-micron size rods, clusters, flower- and fork-like structures, etc, was observed. Surface roughness of the irradiated specimens showed an increasing trend with the ions dose. Energy dispersive x-ray spectroscopy (EDX) helped to determine chemical modifications in the specimens. It was found that carbon content varied in the range 22.86-31.20 wt.% and that oxygen content was almost constant, with an average value of 10.16 wt.%. The balance content was zinc. Structural parameters, i.e. crystallite size and lattice strain, were determined by Williamson-Hall analysis using x-ray diffraction (XRD) patterns of the irradiated specimens. Both crystallite size and lattice strain showed a decreasing trend with the increasing ions dose. A good linear relationship between crystallite size and lattice strain was observed. Surface hardness depicted a decreasing trend with the ions dose and followed an inverse Hall-Petch relation. FTIR spectra of the specimens revealed that absorption bands gradually diminish as the dose of singly-charged carbon ions is increased from 3.94  ×  1014 ions cm-1 to 1.30  ×  1016 ions cm-1. This indicates progressive deterioration of chemical bonds with the increase in ion dose.

  13. Organic photovoltaic devices with concurrent solar energy harvesting and charge storage capability

    Science.gov (United States)

    Takshi, Arash; Tevi, Tete; Rahimi, Fatemeh

    2015-09-01

    Due to large variation of the solar energy availability in a day, energy storage is required in many applications when solar cells are used. However, application of external energy storage devices, such as batteries and supercapacitors, increases the cost of solar energy systems and requires additional charging circuitry. This combination is bulky and relatively expensive, which is not ideal for many applications. In this work, a novel idea is presented for making electrochemical devices with dual properties of solar energy harvesting and internal charge storage. The device is essentially a supercapacitor with a photoactive electrode. Energy harvesting occurs through light absorption at one of the electrodes made of a composite of a conducting polymer (i.e. PEDOT:PSS) and a Porphyrin dye. The energy storage takes place in the both photoactive and counter electrode (CE). We have studied the effect of the CE material on the device characteristics. Using Y-Carbon (a commercial available electrode), an open circuit voltage of 0.49 V was achieved in light across the cell with ~1 mF capacitance. The other two choices for CE were activated carbon and carbon nanotube based electrodes. The cyclic voltammetry and impedance spectroscopy demonstrated that the Y Carbon electrode was a better match.

  14. Charge based, continuous compact model for the channel current in organic thin-film transistors for all regions of operation

    Science.gov (United States)

    Hain, Franziska; Graef, Michael; Iñíguez, Benjamín; Kloes, Alexander

    2017-07-01

    In general most modeling approaches for organic field-effect transistors (OFETs) are based on the typical MOSFET equations. The threshold voltage is usually a fitting parameter without relation to physical parameters hence the impact of their variability on the threshold voltage is not clear. The presented modeling approach is charge based with a continuous equation for the channel current in organic field-effect transistors from below to above threshold. The model provides a physics based parameter set related to trap states, and a compatible parameter set from a circuit designer's perspective. An expression for the threshold voltage is derived depending on the density of trap states. The model considers a power-law mobility model, parasitic contact resistances and channel length modulation effects and is verified with measurements on OFETs fabricated with small molecules.

  15. Study of Charge-Dependent Transport and Toxicity of Peptide-Functionalized Silver Nanoparticles Using Zebrafish Embryos and Single Nanoparticle Plasmonic Spectroscopy

    Science.gov (United States)

    Lee, Kerry J.; Browning, Lauren M.; Nallathamby, Prakash D.; Xu, Xiao-Hong Nancy

    2013-01-01

    Nanomaterials possess unusually high surface area-to-volume ratios, and surface-determined physicochemical properties. It is essential to understand their surface-dependent toxicity in order to rationally design biocompatible nanomaterials for a wide variety of applications. In this study, we have functionalized the surfaces of silver nanoparticles (Ag NPs, 11.7 ± 2.7 nm in diameters) with three biocompatible peptides (CALNNK, CALNNS, CALNNE) to prepare positively (Ag-CALNNK NPs+ζ), negatively (Ag-CALNNS NPs−2ζ), and more negatively charged NPs (Ag-CALNNE NPs−4ζ), respectively. Each peptide differs in a single amino acid at its C-terminus, which minimizes the effects of peptide sequences and serves as a model molecule to create positive, neutral and negative charges on the surface of the NPs at pH 4–10. We have studied their charge-dependent transport into early-developing (cleavage-stage) zebrafish embryos and their effects on embryonic development using dark-field optical microscopy and spectroscopy (DFOMS). We found that all three Ag-peptide NPs passively diffused into the embryos via their chorionic pore canals, and stayed inside the embryos throughout their entire development (120 h), showing charge-independent diffusion modes and charge-dependent diffusion coefficients. Notably, the NPs create charge-dependent toxic effects on embryonic development, showing that the Ag-CALNNK NPs+ζ (positively charged) are the most biocompatible while the Ag-CALNNE NPs–4ζ (more negatively charged) are the most toxic. By comparing with our previous studies of the same sized citrated Ag and Au NPs, the Ag-peptide NPs are much more biocompatible than the citrated Ag NPs, and nearly as biocompatible as the Au NPs, showing the dependence of nanotoxicity upon the surface charges, surface functional groups and chemical compositions of the NPs. This study also demonstrates powerful applications of single NP plasmonic spectroscopy for quantitative analysis of single NPs

  16. ANISOTROPY EFFECTS IN SINGLE-ELECTRON TRANSFER BETWEEN LASER-EXCITED ATOMS AND HIGHLY-CHARGED IONS

    NARCIS (Netherlands)

    Recent collision experiments are reviewed in which one-electron transfer between laser excited target atoms and (highly charged) keV-ions has been studied. Especially results showing a dependence of the charge exchange on the initial target orbital alignment are discussed. The question to what

  17. Kinetic Monte Carlo Modeling of Charge Carriers in Organic Electronic Devices: Suppression of the Self-Interaction Error

    KAUST Repository

    Li, Haoyuan

    2017-05-18

    Kinetic Monte Carlo (KMC) simulations have emerged as an important tool to help improve the efficiency of organic electronic devices by providing a better understanding of their device physics. In the KMC simulation of an organic device, the reliability of the results depends critically on the accuracy of the chosen charge-transfer rates, which are themselves strongly influenced by the site-energy differences. These site-energy differences include components coming from the electrostatic forces present in the system, which are often evaluated through electric potentials described by the Poisson equation. Here we show that the charge-carrier self-interaction errors that appear when evaluating the site-energy differences can lead to unreliable simulation results. To eliminate these errors, we propose two approaches that are also found to reduce the impact of finite-size effects. As a consequence, reliable results can be obtained at reduced computational costs. The proposed methodologies can be extended to other device simulation techniques as well.

  18. Chemical approach to neutral-ionic valence instability, quantum phase transition, and relaxor ferroelectricity in organic charge-transfer complexes

    International Nuclear Information System (INIS)

    Horiuchi, Sachio; Kumai, Reiji; Okimoto, Yoichi; Tokura, Yoshinori

    2006-01-01

    Neutral-ionic (NI) phase transition is a reversible switching of organic charge-transfer complexes between distinct valence states by external stimuli. This phase transformation in the low-dimensional system is demonstrated to provide a variety of novel dielectric, structural, and electronic properties. Importantly, ionization of the electron donor-acceptor pairs is usually accompanied by a ferroelectric or antiferroelectric order of the molecular lattice, leading to huge dielectric response near the transition point. Although these characteristics are potentially useful for future electronic and optical applications, the thermally accessible NI transition (TINIT) is still an extremely rare case. The TINIT compounds including some new materials are overviewed in order to provide convenient guides to their design and experimental identifications. The phase transition and dielectric properties can be closely controlled in various ways depending on chemical and physical modifications of the crystals. Among them, a quantum phase transition and relaxor ferroelectricity, both of which are currently attracting subjects from both scientific and practical perspectives, are highlighted as the first achievements in organic charge-transfer complexes

  19. Estimation of carrier mobility and charge behaviors of organic semiconductor films in metal-insulator-semiconductor diodes consisting of high-k oxide/organic semiconductor double layers

    Science.gov (United States)

    Chosei, Naoya; Itoh, Eiji

    2018-02-01

    We have comparatively studied the charge behaviors of organic semiconductor films based on charge extraction by linearly increasing voltage in a metal-insulator-semiconductor (MIS) diode structure (MIS-CELIV) and by classical capacitance-voltage measurement. The MIS-CELIV technique allows the selective measurement of electron and hole mobilities of n- and p-type organic films with thicknesses representative of those of actual devices. We used an anodic oxidized sputtered Ta or Hf electrode as a high-k layer, and it effectively blocked holes at the insulator/semiconductor interface. We estimated the hole mobilities of the polythiophene derivatives regioregular poly(3-hexylthiophene) (P3HT) and poly(3,3‧‧‧-didodecylquarterthiophene) (PQT-12) before and after heat treatment in the ITO/high-k/(thin polymer insulator)/semiconductor/MoO3/Ag device structure. The hole mobility of PQT-12 was improved from 1.1 × 10-5 to 2.1 × 10-5 cm2 V-1 s-1 by the heat treatment of the device at 100 °C for 30 min. An almost two orders of magnitude higher mobility was obtained in MIS diodes with P3HT as the p-type layer. We also determined the capacitance from the displacement current in MIS diodes at a relatively low-voltage sweep, and it corresponded well to the classical capacitance-voltage and frequency measurement results.

  20. Self-organized complex space charge configurations at the origin of flicker noise

    CERN Document Server

    Popescu, S; Sanduloviciu, M

    2003-01-01

    Based on experimental results obtained from a plasma diode we explain the fluctuations of the voltage supported by a non-linear gaseous conductor by the dynamical behavior of spatiotemporal patterns, in the form of moving double layers, formed after self-organization. Such phenomena appear when the system is subjected to an external constraint that creates and maintains a local gradient of electron kinetic energy. The described phenomenology suggests a plausible explanation for the appearance of flicker noise also in other physical systems, as for example semiconductors and, implicitly, offers a new model for the so-called self-organized criticality concept.

  1. Self-organized complex space charge configurations at the origin of flicker noise

    International Nuclear Information System (INIS)

    Popescu, S.; Lozneanu, E.; Sanduloviciu, M.

    2003-01-01

    Based on experimental results obtained from a plasma diode we explain the fluctuations of the voltage supported by a non-linear gaseous conductor by the dynamical behavior of spatiotemporal patterns, in the form of moving double layers, formed after self-organization. Such phenomena appear when the system is subjected to an external constraint that creates and maintains a local gradient of electron kinetic energy. The described phenomenology suggests a plausible explanation for the appearance of flicker noise also in other physical systems, as for example semiconductors and, implicitly, offers a new model for the so-called self-organized criticality concept

  2. Charge Carrier Generation, Recombination, and Extraction in Polymer–Fullerene Bulk Heterojunction Organic Solar Cells

    KAUST Repository

    Laquai, Frederic

    2016-12-20

    In this chapter we review the basic principles of photocurrent generation in bulk heterojunction organic solar cells, discuss the loss channels limiting their efficiency, and present case studies of several polymer–fullerene blends. Using steady-state and transient, optical, and electrooptical techniques, we create a precise picture of the fundamental processes that ultimately govern solar cell efficiency.

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

    DEFF Research Database (Denmark)

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

    1999-01-01

    of the ordered microcrystalline domains in the conjugated polymer poly(3-hexylthiophene), P3HT, Self-organization in P3HT results in a lamella structure with two-dimensional conjugated sheets formed by interchain stacking. We find that, depending on processing conditions, the lamellae can adopt two different...

  4. Modeling the adsorption of weak organic acids on goethite : the ligand and charge distribution model

    NARCIS (Netherlands)

    Filius, J.D.

    2001-01-01

    A detailed study is presented in which the CD-MUSIC modeling approach is used in a new modeling approach that can describe the binding of large organic molecules by metal (hydr)oxides taking the full speciation of the adsorbed molecule into account. Batch equilibration experiments were

  5. Structural effects on charge order in single-layered manganites R{sub 1-x}A{sub 1+x}MnO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Engelmayer, Johannes; Ulbrich, Holger; Weber, Lisa; Braden, Markus; Lorenz, Thomas [II. Physikalisches Institut, Universitaet zu Koeln (Germany)

    2015-07-01

    Single-layered manganites show a complex interplay between charge, orbital, and magnetic degrees of freedom. For half-doped (x=1/2) R{sub 1-x}A{sub 1+x}MnO{sub 4} (R=Pr,La; A=Ca,Sr) the so-called Goodenough model is well established. This model proposes a site-centered charge order with a checkerboard pattern of Mn{sup 3+} and Mn{sup 4+} ions accompanied by an orbital order. Furthermore a magnetic order develops with ferromagnetic three-spin zig-zag chains and antiferromagnetic interchain coupling. For x=2/3 the charge order appears as stripe pattern with two adjacent stripes of Mn{sup 4+} ions alternating with a single stripe of Mn{sup 3+} ions, while in the magnetically ordered state four-spin zig-zag chains arise. For a deeper understanding of the emergence of charge order, it is appropriate to vary on the one hand the elements R and A while keeping the doping level x constant - involving structural changes at fixed charge carrier density - and on the other hand change the doping level with the same R and A. Therefore various single crystals of R{sub 1-x}A{sub 1+x}MnO{sub 4} with R=(Pr, Nd, Sm, Tb), A=(Ca, Sr) and 0.5 ≤ x ≤ 0.7 were grown and their structural parameters were determined by X-ray diffraction. Based on measurements of resistivity, magnetization, specific heat, and crystal structure we discuss the influence of structural variations on the ordering temperature.

  6. Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

    Directory of Open Access Journals (Sweden)

    Sengupta Dhriti

    2012-06-01

    Full Text Available Abstract Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC of long (LRN-, short (SRN- and all-range (ARN networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at

  7. Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein's structural organization.

    Science.gov (United States)

    Sengupta, Dhriti; Kundu, Sudip

    2012-06-21

    The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. The largest connected component (LCC) of long (LRN)-, short (SRN)- and all-range (ARN) networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don't. While the nature of transitions of LCC's sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at higher interaction strength between amino acids

  8. Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

    Science.gov (United States)

    2012-01-01

    Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC) of long (LRN)-, short (SRN)- and all-range (ARN) networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at higher interaction

  9. Ordered Single-Crystalline Anatase TiO2Nanorod Clusters Planted on Graphene for Fast Charge Transfer in Photoelectrochemical Solar Cells.

    Science.gov (United States)

    Wang, Yang; Liu, Xueqin; Li, Zhen; Cao, Ya; Li, Yinchang; Liu, Xupo; Jia, Songru; Zhao, Yanli

    2017-07-01

    Achieving efficient charge transport is a great challenge in nanostructured TiO 2 -electrode-based photoelectrochemical cells. Inspired by excellent directional charge transport and the well-known electroconductibility of 1D anatase TiO 2 nanostructured materials and graphene, respectively, planting ordered, single-crystalline anatase TiO 2 nanorod clusters on graphene sheets (rGO/ATRCs) via a facial one-pot solvothermal method is reported. The hierarchical rGO/ATRCs nanostructure can serve as an efficient light-harvesting electrode for dye-sensitized solar cells. In addition, the obtained high-crystallinity anatase TiO 2 nanorods in rGO/ATRCs possess a lower density of trap states, thus facilitating diffusion-driven charge transport and suppressing electron recombination. Moreover, the novel architecture significantly enhances the trap-free charge diffusion coefficient, which contributes to superior electron mobility properties. By virtue of more efficient charge transport and higher energy conversion efficiency, the rGO/ATRCs developed in this work show significant advantages over conventional rGO-TiO 2 nanoparticle counterparts in photoelectrochemical cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Dynamics of Charged Excitons and Biexcitons in CsPbBr3 Perovskite Nanocrystals Revealed by Femtosecond Transient-Absorption and Single-Dot Luminescence Spectroscopy.

    Science.gov (United States)

    Yarita, Naoki; Tahara, Hirokazu; Ihara, Toshiyuki; Kawawaki, Tokuhisa; Sato, Ryota; Saruyama, Masaki; Teranishi, Toshiharu; Kanemitsu, Yoshihiko

    2017-04-06

    Metal-halide perovskite nanocrystals (NCs) are promising photonic materials for use in solar cells, light-emitting diodes, and lasers. The optoelectronic properties of these devices are determined by the excitons and exciton complexes confined in their NCs. In this study, we determined the relaxation dynamics of charged excitons and biexcitons in CsPbBr 3 NCs using femtosecond transient-absorption (TA), time-resolved photoluminescence (PL), and single-dot second-order photon correlation spectroscopy. Decay times of ∼40 and ∼200 ps were obtained from the TA and PL decay curves for biexcitons and charged excitons, respectively, in NCs with an average edge length of 7.7 nm. The existence of charged excitons even under weak photoexcitation was confirmed by the second-order photon correlation measurements. We found that charged excitons play a dominant role in luminescence processes of CsPbBr 3 NCs. Combining different spectroscopic techniques enabled us to clarify the dynamical behaviors of excitons, charged excitons, and biexcitons.

  11. Direct fabrication of diffraction grating onto organic single crystals by electron beam lithography

    Science.gov (United States)

    Kawata, Yoshihiro; Aoki, Kazuki; Inada, Yuhi; Yamao, Takeshi; Hotta, Shu

    2018-03-01

    We have directly fabricated a diffraction grating onto platelike single crystals made of an organic semiconducting oligomer by electron beam lithography followed by reactive-ion etching. The decrease in the grating period resulted in photoexcited spectrally narrowed emission peaks related to the first-order diffraction from the crystal edge without outstanding quenching of the crystal. This work is expected to lead to the realization of organic semiconductor lasers.

  12. The criminal charges of legal persons against the phenomenon of organized crime

    OpenAIRE

    Luggren, Rosana Elizabeth; Oroño, Néstor Antonio

    2016-01-01

    Facing the phenomenon of organized crime, the criminal justice system for legal persons is confronted with the need to adapt the theoretical structures in order to provide an answer to the challenges rising from the high degree complexity and volatility, common qualities of the contemporary societies. t he modern legislations claim different solutions, such as the vicarious liability “act like someone else” or “be in someone else’s place”, which allows transferring the responsibility or guilt...

  13. Who's in charge here anyway? Managing the management split in mental health organizations.

    Science.gov (United States)

    Eilenberg, J; Townsend, E J; Oudens, E

    2000-05-01

    Most mental health organizations are run by chief executive officers (CEOs) who are not physicians, with medical directors reporting to the CEOs. In this article the historical and organizational origins of this arrangement are reviewed. The well known disadvantages of shared management are discussed, as are the less obvious advantages. Through case vignettes the authors illustrate how bifurcated leadership can promote productive and creative administrative decisions. Guidelines are offered for strengthening collaborations between non-medical and medical mental health program directors.

  14. Single neutral pion production by charged-current ν¯μ interactions on hydrocarbon at 〈Eν〉=3.6 GeV

    Directory of Open Access Journals (Sweden)

    T. Le

    2015-10-01

    Full Text Available Single neutral pion production via muon antineutrino charged-current interactions in plastic scintillator (CH is studied using the MINERvA detector exposed to the NuMI low-energy, wideband antineutrino beam at Fermilab. Measurement of this process constrains models of neutral pion production in nuclei, which is important because the neutral-current analog is a background for ν¯e appearance oscillation experiments. The differential cross sections for π0 momentum and production angle, for events with a single observed π0 and no charged pions, are presented and compared to model predictions. These results comprise the first measurement of the π0 kinematics for this process.

  15. Charge transport behavior of benodithiophene-diketopyrrololpyrrole-based conjugated polymer in organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Kuen [Dept. of Chemistry, Hankuk University of Foreign Studies, Yongin (Korea, Republic of)

    2015-07-15

    Organic optoelectronic devices, such as light-emitting diodes, organic solar cells (OSCs), and organic field effect transistors (OFETs), have emerged due to the development of π-conjugated polymers. Because the delocalized π-framework can significantly reduce the energy gap between the highest-occupied molecular orbital (HOMO) and the lowest-unoccupied molecular orbital (LUMO), their intrinsic optoelectronic properties can be tunable with their conjugation length in terms of average molecular weights and their π-backbone structures. The new type of low bandgap conjugated polymer (P1) has been successively polymerized via a palladium- catalyzed Stille cross-coupling reaction with bis-ethylhexyl BDT and bis-n-decane DPP. With a linear alkyl chain in the DPP units, the intermolecular packing structure was thought to be enhanced by proving the UV–Vis and UPS spectra. In addition, the electronic properties of P1 via field-effect transistors well illustrate the typical p-type semiconducting property without showing the significant improvement by thermal annealing. From a broader perspective, this research indicates that a wider choice of linear alkyl chain length in DPP units and modification of the interface between dielectric and active layers should be sought to further optimize device performance. Hence, progressive works with the strategy presented in this report will be pursued to address the different challenges in attaining target OFET performances.

  16. Charge Catastrophe and Dielectric Breakdown During Exposure of Organic Thin Films to Low-Energy Electron Radiation

    Science.gov (United States)

    Thete, A.; Geelen, D.; van der Molen, S. J.; Tromp, R. M.

    2017-12-01

    The effects of exposure to ionizing radiation are central in many areas of science and technology, including medicine and biology. Absorption of UV and soft-x-ray photons releases photoelectrons, followed by a cascade of lower energy secondary electrons with energies down to 0 eV. While these low energy electrons give rise to most chemical and physical changes, their interactions with soft materials are not well studied or understood. Here, we use a low energy electron microscope to expose thin organic resist films to electrons in the range 0-50 eV, and to analyze the energy distribution of electrons returned to the vacuum. We observe surface charging that depends strongly and nonlinearly on electron energy and electron beam current, abruptly switching sign during exposure. Charging can even be sufficiently severe to induce dielectric breakdown across the film. We provide a simple but comprehensive theoretical description of these phenomena, identifying the presence of a cusp catastrophe to explain the sudden switching phenomena seen in the experiments. Surprisingly, the films undergo changes at all incident electron energies, starting at ˜0 eV .

  17. Experimental investigation of the charge/discharge process for an organic PCM macroencapsulated in an aluminium rectangular cavity

    Science.gov (United States)

    Bejan, Andrei-Stelian; Labihi, Abdelouhab; Croitoru, Cristiana Verona; Catalina, Tiberiu; Chehouani, Hassan; Benhamou, Brahim

    2018-02-01

    Buildings sector has one of the highest potential regarding the reduction of greenhouse gases emissions, as being responsible for more than 40% of energy consumption worldwide. This is why, in order to achieve indoor thermal comfort, it is mandatory to use energy-efficient systems. Materials acting as thermal energy storage (TES) represents one of the most effective strategy that can be implemented and nowadays, many studies are focusing their attention on latent heat storage, respectively on phase changing materials (PCM) which can embed a large embed a high quantity of energy, unlike classic materials acting as thermal mass. This purpose of this paper is to experimentally investigate the charge and discharge processes for an organic PCM (RT35 paraffin) macroencapsulated in an aluminium rectangular cavity which was placed first in a horizontal position and after in a vertical position. After several experimental campaigns conducted we determined that the vertical position enhance the heat transfer because of the natural convection which occurs inside the cavity. Therefore, the charging time is lower in case of the vertical cavity and the temperature measured inside and on the surface is higher.

  18. Magnetic dipole self-organization of charge carriers in high-temperature superconductors and kinetics of phase transformation

    CERN Document Server

    Voronov, A V; Shuvalov, V V

    2001-01-01

    The phenomenological model, describing the magnetic dipole self-organization of charge carriers (formation of so-called stripe-structures and energy gap in the states spectrum), is designed for interpreting the data on the nonstationary nonlinear spectroscopy of the high-temperature superconductors. It is shown that after fast heating of the superconducting sample the kinetics of the subsequent phase transition depends on the initial temperature T. The destruction of the stripe-structures at low overheating T* < T < T sub m approx = (1.4-1.5)T*, whereby T sub c and T* approx = T sub c are the temperatures of transition into the superconducting state and formation of the stripe-structures occurs slowly (the times above 10 sup - sup 9 s) in spite of practically instantaneous disappearance of the superconductivity

  19. Nanoscale insight into the exfoliation mechanism of graphene with organic dyes: effect of charge, dipole and molecular structure.

    Science.gov (United States)

    Schlierf, Andrea; Yang, Huafeng; Gebremedhn, Elias; Treossi, Emanuele; Ortolani, Luca; Chen, Liping; Minoia, Andrea; Morandi, Vittorio; Samorì, Paolo; Casiraghi, Cinzia; Beljonne, David; Palermo, Vincenzo

    2013-05-21

    We study the mechanism of surface adsorption of organic dyes on graphene, and successive exfoliation in water of these dye-functionalized graphene sheets. A systematic, comparative study is performed on pyrenes functionalized with an increasing number of sulfonic groups. By combining experimental and modeling investigations, we find an unambiguous correlation between the graphene-dye interaction energy, the molecular structure and the amount of graphene flakes solubilized. The results obtained indicate that the molecular dipole is not important per se, but because it facilitates adsorption on graphene by a "sliding" mechanism of the molecule into the solvent layer, facilitating the lateral displacement of the water molecules collocated between the aromatic cores of the dye and graphene. While a large dipole and molecular asymmetry promote the adsorption of the molecule on graphene, the stability and pH response of the suspensions obtained depend on colloidal stabilization, with no significant influence of molecular charging and dipole.

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

    KAUST Repository

    Li, Yuan

    2014-12-03

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

  1. Structure and charge control in metal-organic frameworks based on the tetrahedral ligand tetrakis(4-tetrazolylphenyl)methane.

    Science.gov (United States)

    Dinca, Mircea; Dailly, Anne; Long, Jeffrey R

    2008-01-01

    Use of the tetrahedral ligand tetrakis(4-tetrazolylphenyl)methane enabled isolation of two three-dimensional metal-organic frameworks featuring 4,6- and 4,8-connected nets related to the structures of garnet and fluorite with the formulae Mn(6)(ttpm)(3)5 DMF3 H(2)O (1) and Cu[(Cu(4)Cl)(ttpm)(2)](2)CuCl(2)5 DMF11 H(2)O (2) (H(4)ttpm=tetrakis(4-tetrazolylphenyl)methane). The fluorite-type solid 2 displays an unprecedented post-synthetic transformation in which the negative charge of the framework is reduced by extraction of copper(II) chloride. Desolvation of this compound generates Cu(4)(ttpm)(2)0.7 CuCl(2) (2 d), a microporous material exhibiting a high surface area and significant hydrogen uptake.

  2. Study of Sequential Dexter Energy Transfer in High Efficient Phosphorescent White Organic Light-Emitting Diodes with Single Emissive Layer

    Science.gov (United States)

    Kim, Jin Wook; You, Seung Il; Kim, Nam Ho; Yoon, Ju-An; Cheah, Kok Wai; Zhu, Fu Rong; Kim, Woo Young

    2014-01-01

    In this study, we report our effort to realize high performance single emissive layer three color white phosphorescent organic light emitting diodes (PHOLEDs) through sequential Dexter energy transfer of blue, green and red dopants. The PHOLEDs had a structure of; ITO(1500 Å)/NPB(700 Å)/mCP:Firpic-x%:Ir(ppy)3-0.5%:Ir(piq)3-y%(300 Å)/TPBi(300 Å)/Liq(20 Å)/Al(1200 Å). The dopant concentrations of FIrpic, Ir(ppy)3 and Ir(piq)3 were adjusted and optimized to facilitate the preferred energy transfer processes attaining both the best luminous efficiency and CIE color coordinates. The presence of a deep trapping center for charge carriers in the emissive layer was confirmed by the observed red shift in electroluminescent spectra. White PHOLEDs, with phosphorescent dopant concentrations of FIrpic-8.0%:Ir(ppy)3-0.5%:Ir(piq)3-0.5% in the mCP host of the single emissive layer, had a maximum luminescence of 37,810 cd/m2 at 11 V and a luminous efficiency of 48.10 cd/A at 5 V with CIE color coordinates of (0.35, 0.41). PMID:25388087

  3. Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ.

    Science.gov (United States)

    García, Raúl; Herranz, M Ángeles; Leary, Edmund; González, M Teresa; Bollinger, Gabino Rubio; Bürkle, Marius; Zotti, Linda A; Asai, Yoshihiro; Pauly, Fabian; Cuevas, Juan Carlos; Agraït, Nicolás; Martín, Nazario

    2015-01-01

    We describe the synthesis and single-molecule electrical transport properties of a molecular wire containing a π-extended tetrathiafulvalene (exTTF) group and its charge-transfer complex with F4TCNQ. We form single-molecule junctions using the in situ break junction technique using a homebuilt scanning tunneling microscope with a range of conductance between 10 G0 down to 10(-7) G0. Within this range we do not observe a clear conductance signature of the neutral parent molecule, suggesting either that its conductance is too low or that it does not form a stable junction. Conversely, we do find a clear conductance signature in the experiments carried out on the charge-transfer complex. Due to the fact we expected this species to have a higher conductance than the neutral molecule, we believe this supports the idea that the conductance of the neutral molecule is very low, below our measurement sensitivity. This idea is further supported by theoretical calculations. To the best of our knowledge, these are the first reported single-molecule conductance measurements on a molecular charge-transfer species.

  4. Near-neutral surface charge and hydrophilicity prevent mineral encrustation of Fe-oxidizing micro-organisms.

    Science.gov (United States)

    Saini, G; Chan, C S

    2013-03-01

    Microbial survival in mineralizing environments depends on the ability to evade surface encrustation by minerals, which could obstruct nutrient uptake and waste output. Some organisms localize mineral precipitation away from the cell; however, cell surface properties - charge and hydrophobicity - must also play a role in preventing surface mineralization. This is especially relevant for iron-oxidizing bacteria (FeOB), which face an encrustation threat from both biotic and abiotic mineralization. We used electron microscopy and surface characterization techniques to study the surfaces of two stalk-forming neutrophilic FeOB: the marine Zetaproteobacterium Mariprofundus ferrooxydans PV-1 and the recently isolated freshwater Betaproteobacterium Gallionellales strain R-1. Both organisms lack detectable iron on cell surfaces. Live and azide-inhibited M. ferrooxydans PV-1 cells had small negative zeta potentials (-0.34 to -2.73 mV), over the pH range 4.2-9.4; Gallionellales strain R-1 cells exhibited an even smaller zeta potential (-0.10 to -0.19 mV) over pH 4.2-8.8. Cells have hydrophilic surfaces, according to water contact angle measurements and microbial adhesion to hydrocarbons tests. Thermodynamic and extended Derjaguin-Landau-Verwey-Overbeek (XDLVO) calculations showed that as low charge causes low electrostatic attraction, hydrophilic repulsion dominates cell-mineral interactions. Therefore, we conclude that surface properties help enable these FeOB to survive in highly mineralizing environments. Given both mineral-repelling surface properties and the ability to sequester Fe(III) biominerals in an organomineral stalk, these two FeOB have a well-coordinated system to localize both biotic and abiotic mineral distribution. © 2012 Blackwell Publishing Ltd.

  5. Efficient charge balance in blue phosphorescent organic light emitting diodes by two types of mixed layer

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Hyung Jin; Lee, Ho Won; Lee, Song Eun; Sun, Yong; Hwang, Kyo Min; Yoo, Han Kyu; Lee, Sung Kyu [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Kim, Woo Young, E-mail: wykim@hoseo.edu [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan 336-795 (Korea, Republic of); Kim, Young Kwan, E-mail: kimyk@hongik.ac.kr [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of)

    2015-07-31

    The authors have demonstrated a highly efficient and long-lifetime blue phosphorescent organic light emitting diode (PHOLED) that uses two types of mixed layers. The mixed layers play the role of carrier injection control and exciton generation zone extension. One of the layers is applied for mixing the hole transport layer (HTL) and host material at the HTL side for carrier injection control. The other works as a mixed electron transporting layer (ETL) and host material at the ETL side. The optimized blue PHOLED has been shown to achieve high performance owing to the mixed layer effects. It gave a maximum luminous efficiency of 25.55 cd/A, maximum external quantum efficiency of 13.05%, and lifetime of 7.24 h under 500 cd/m{sup 2}. These results indicate that applying mixed layers is a simple and efficient method that does not require significant structural change. - Highlights: • Highly efficient blue phosphorescent organic light-emitting diode (PHOLEDs) • Hole transporting layer consists with mixed layer for delayed hole injection • The blue PHOLEDs with long lifetime due to suppression of quenching process.

  6. Directed self-organization of single DNA molecules in a nanoslit via embedded nanopit arrays

    DEFF Research Database (Denmark)

    Reisner, Walter; Larsen, Niels Bent; Flyvbjerg, Henrik K.

    2009-01-01

    We show that arrays of nanopit structures etched in a nanoslit can control the positioning and conformation of single DNA molecules in nanofluidic devices. By adjusting the spacing, organization and placement of the nanopits it is possible to immobilize DNA at predetermined regions of a device...

  7. Functionalised metal-organic frameworks : A novel approach to stabilising single metal atoms

    NARCIS (Netherlands)

    Szilagyi, P.A.; Rogers, D. M.; Zaiser, I.; Callini, E; Turner, Stuart; Borgschulte, A; Züttel, A.; Geerlings, J.J.C.; Hirscher, M; Dam, B.

    2017-01-01

    We have investigated the potential of metal-organic frameworks for immobilising single atoms of transition metals using a model system of Pd supported on NH2-MIL-101(Cr). Our transmission electron microscopy and in situ Raman spectroscopy results give evidence for the first time that

  8. Honoring patients' organ donation decisions when family conflict is present: Experience from a single organ procurement organization.

    Science.gov (United States)

    Stahler, Paul A; Weese, Susan E; Nygaard, Rachel M; Hill, Mark J; Richardson, Chad J; Larson, Susan Mau; Gunderson, Susan; Quickel, Robert R

    2014-10-01

    Donor designation refers to the laws and processes for documentation of an individual's wishes regarding organ donation should that person become eligible for donation at death. All 50 states have laws supporting donor designation. Donor-family conflict arises when a designated donor's family attempts to rescind the donor's authorization to donate. Little guidance exists in the current literature to address these situations. Hospital public relations offices and organ procurement organization (OPO) records were queried to assess the incidence of legal action and adverse media coverage. Public legal records were searched for civil actions involving the hospitals at which these conflicts occurred. Fourteen cases of donor-family conflict were identified. Organ procurement proceeded in 9 (64%) of 14. A total of 38 organs were transplanted from these 9 donors. For those nine cases, median follow-up time was 57 months (interquartile range, 52-77 months; range, 38-114 months). The identified reasons for conflict include a belief by the family that they were given a choice in the decision about whether to proceed with donation; misunderstanding and lack of acceptance of the brain death diagnosis; disagreement among family members; concerns about timing/length of the donation process and desire to withdraw ventilator support; next-of-kin anger over cause of death when cause of death was suicide; and challenges to the validity of donor document and stated donor intent. No adverse news items were reported, and no lawsuits were filed in cases of donor-family conflict where organ donation proceeded. In addition, we found no mention of lawsuits brought against hospitals for failure to proceed with organ donation when donor was designated and eligible. The 2006 Anatomical Gift Act compels hospitals and OPOs to pursue donation regardless of family wishes in cases of brain death in designated donors. When a donor's family attempts to rescind the donor's authorization, the donor

  9. Performance assessment of the single photon emission microscope: high spatial resolution SPECT imaging of small animal organs

    Directory of Open Access Journals (Sweden)

    J. Mejia

    2013-11-01

    Full Text Available The single photon emission microscope (SPEM is an instrument developed to obtain high spatial resolution single photon emission computed tomography (SPECT images of small structures inside the mouse brain. SPEM consists of two independent imaging devices, which combine a multipinhole collimator, a high-resolution, thallium-doped cesium iodide [CsI(Tl] columnar scintillator, a demagnifying/intensifier tube, and an electron-multiplying charge-coupling device (CCD. Collimators have 300- and 450-µm diameter pinholes on tungsten slabs, in hexagonal arrays of 19 and 7 holes. Projection data are acquired in a photon-counting strategy, where CCD frames are stored at 50 frames per second, with a radius of rotation of 35 mm and magnification factor of one. The image reconstruction software tool is based on the maximum likelihood algorithm. Our aim was to evaluate the spatial resolution and sensitivity attainable with the seven-pinhole imaging device, together with the linearity for quantification on the tomographic images, and to test the instrument in obtaining tomographic images of different mouse organs. A spatial resolution better than 500 µm and a sensitivity of 21.6 counts·s-1·MBq-1 were reached, as well as a correlation coefficient between activity and intensity better than 0.99, when imaging 99mTc sources. Images of the thyroid, heart, lungs, and bones of mice were registered using 99mTc-labeled radiopharmaceuticals in times appropriate for routine preclinical experimentation of <1 h per projection data set. Detailed experimental protocols and images of the aforementioned organs are shown. We plan to extend the instrument's field of view to fix larger animals and to combine data from both detectors to reduce the acquisition time or applied activity.

  10. Performance assessment of the single photon emission microscope: high spatial resolution SPECT imaging of small animal organs

    International Nuclear Information System (INIS)

    Mejia, J.; Reis, M.A.; Miranda, A.C.C.; Batista, I.R.; Barboza, M.R.F.; Shih, M.C.; Fu, G.; Chen, C.T.; Meng, L.J.; Bressan, R.A.; Amaro, E. Jr

    2013-01-01

    The single photon emission microscope (SPEM) is an instrument developed to obtain high spatial resolution single photon emission computed tomography (SPECT) images of small structures inside the mouse brain. SPEM consists of two independent imaging devices, which combine a multipinhole collimator, a high-resolution, thallium-doped cesium iodide [CsI(Tl)] columnar scintillator, a demagnifying/intensifier tube, and an electron-multiplying charge-coupling device (CCD). Collimators have 300- and 450-µm diameter pinholes on tungsten slabs, in hexagonal arrays of 19 and 7 holes. Projection data are acquired in a photon-counting strategy, where CCD frames are stored at 50 frames per second, with a radius of rotation of 35 mm and magnification factor of one. The image reconstruction software tool is based on the maximum likelihood algorithm. Our aim was to evaluate the spatial resolution and sensitivity attainable with the seven-pinhole imaging device, together with the linearity for quantification on the tomographic images, and to test the instrument in obtaining tomographic images of different mouse organs. A spatial resolution better than 500 µm and a sensitivity of 21.6 counts·s -1 ·MBq -1 were reached, as well as a correlation coefficient between activity and intensity better than 0.99, when imaging 99m Tc sources. Images of the thyroid, heart, lungs, and bones of mice were registered using 99m Tc-labeled radiopharmaceuticals in times appropriate for routine preclinical experimentation of <1 h per projection data set. Detailed experimental protocols and images of the aforementioned organs are shown. We plan to extend the instrument's field of view to fix larger animals and to combine data from both detectors to reduce the acquisition time or applied activity

  11. Performance assessment of the single photon emission microscope: high spatial resolution SPECT imaging of small animal organs

    Energy Technology Data Exchange (ETDEWEB)

    Mejia, J. [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil); Reis, M.A. [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil); Laboratório Interdisciplinar de Neurociências Clínicas, Departamento de Psiquiatria, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Miranda, A.C.C. [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil); Batista, I.R. [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil); Laboratório Interdisciplinar de Neurociências Clínicas, Departamento de Psiquiatria, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Barboza, M.R.F.; Shih, M.C. [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil); Fu, G. [GE Global Research, Schenectady, NY (United States); Chen, C.T. [Department of Radiology, University of Chicago, Chicago, IL (United States); Meng, L.J. [Department of Nuclear, Plasma and Radiological Engineering, University of Illinois, Urbana-Champaign, IL (United States); Bressan, R.A. [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil); Laboratório Interdisciplinar de Neurociências Clínicas, Departamento de Psiquiatria, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Amaro, E. Jr [Hospital Israelita Albert Einstein, Instituto do Cérebro, São Paulo, SP (Brazil)

    2013-11-06

    The single photon emission microscope (SPEM) is an instrument developed to obtain high spatial resolution single photon emission computed tomography (SPECT) images of small structures inside the mouse brain. SPEM consists of two independent imaging devices, which combine a multipinhole collimator, a high-resolution, thallium-doped cesium iodide [CsI(Tl)] columnar scintillator, a demagnifying/intensifier tube, and an electron-multiplying charge-coupling device (CCD). Collimators have 300- and 450-µm diameter pinholes on tungsten slabs, in hexagonal arrays of 19 and 7 holes. Projection data are acquired in a photon-counting strategy, where CCD frames are stored at 50 frames per second, with a radius of rotation of 35 mm and magnification factor of one. The image reconstruction software tool is based on the maximum likelihood algorithm. Our aim was to evaluate the spatial resolution and sensitivity attainable with the seven-pinhole imaging device, together with the linearity for quantification on the tomographic images, and to test the instrument in obtaining tomographic images of different mouse organs. A spatial resolution better than 500 µm and a sensitivity of 21.6 counts·s{sup -1}·MBq{sup -1} were reached, as well as a correlation coefficient between activity and intensity better than 0.99, when imaging {sup 99m}Tc sources. Images of the thyroid, heart, lungs, and bones of mice were registered using {sup 99m}Tc-labeled radiopharmaceuticals in times appropriate for routine preclinical experimentation of <1 h per projection data set. Detailed experimental protocols and images of the aforementioned organs are shown. We plan to extend the instrument's field of view to fix larger animals and to combine data from both detectors to reduce the acquisition time or applied activity.

  12. Electric field reduced charging energies and two-electron bound excited states of single donors in silicon

    NARCIS (Netherlands)

    Rahman, R.; Lansbergen, G.P.; Verduijn, J.; Tettamanzi, G.C.; Park, S.H.; Collaert, N.; Biesemans, S.; Klimeck, G.; Hollenberg, L.C.L.; Rogge, S.

    2011-01-01

    We present atomistic simulations of the D0 to D? charging energies of a gated donor in silicon as a function of applied fields and donor depths and find good agreement with experimental measurements. A self-consistent field large-scale tight-binding method is used to compute the D? binding energies

  13. Doubly versus Singly Positively Charged Oxygen Ions Back-Scattering from a Silicon Surface under Dynamic O2+ Bombardment

    Czech Academy of Sciences Publication Activity Database

    Franzreb, K.; Williams, P.; Lörinčík, Jan; Šroubek, Zdeněk

    203-204, 1/4 (2003), s. 39-42 ISSN 0169-4332 Institutional research plan: CEZ:AV0Z2067918; CEZ:AV0Z4040901 Keywords : low-energy ion scattering * doubly charged ions * molecular orbital Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.284, year: 2003

  14. Solution-processed barium salts as charge injection layers for high performance N-channel organic field-effect transistors.

    Science.gov (United States)

    Kim, Nam-Koo; Khim, Dongyoon; Xu, Yong; Lee, Seung-Hoon; Kang, Minji; Kim, Jihong; Facchetti, Antonio; Noh, Yong-Young; Kim, Dong-Yu

    2014-06-25

    N-channel organic field-effect transistors (OFETs) have generally shown lower field-effect mobilities (μFET) than their p-type counterparts. One of the reasons is the energetic misalignment between the work function (WF) of commonly used charge injection electrode, i.e. gold (Au), and the lowest unoccupied molecular orbital (LUMO) of n-channel electron-transporting organic semiconductors. Here, we report barium salts as solution-processed interlayers, to improve the electron-injection and/or hole-blocking in top-gate/bottom-contact n-channel OFETs, based on poly{[N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-dithiophene)} (P(NDI2OD-T2)) and phenyl-C61-butyric acid methyl ester (PC61BM). Two different barium salts, barium hydroxide (Ba(OH)2) and barium chloride (Ba(Cl)2), are employed as the ultrathin interlayer (∼2 nm); and they effectively tune the WF of Au from 4.9 eV, to as low as 3.5 eV. The resulting n-channel OFETs exhibit significantly improved μFET, approaching 2.6 cm(2)/(V s) and 0.1 cm(2)/(V s) for the best P(NDI2OD-T2) and PC61BM devices, respectively, with Ba(OH)2 as interlayer.

  15. Influence of Blend Morphology and Energetics on Charge Separation and Recombination Dynamics in Organic Solar Cells Incorporating a Nonfullerene Acceptor

    KAUST Repository

    Cha, Hyojung

    2017-11-27

    Nonfullerene acceptors (NFAs) in blends with highly crystalline donor polymers have been shown to yield particularly high device voltage outputs, but typically more modest quantum yields for photocurrent generation as well as often lower fill factors (FF). In this study, we employ transient optical and optoelectronic analysis to elucidate the factors determining device photocurrent and FF in blends of the highly crystalline donor polymer PffBT4T-2OD with the promising NFA FBR or the more widely studied fullerene acceptor PC71BM. Geminate recombination losses, as measured by ultrafast transient absorption spectroscopy, are observed to be significantly higher for PffBT4T-2OD:FBR blends. This is assigned to the smaller LUMO-LUMO offset of the PffBT4T-2OD:FBR blends relative to PffBT4T-2OD:PC71BM, resulting in the lower photocurrent generation efficiency obtained with FBR. Employing time delayed charge extraction measurements, these geminate recombination losses are observed to be field dependent, resulting in the lower FF observed with PffBT4T-2OD:FBR devices. These data therefore provide a detailed understanding of the impact of acceptor design, and particularly acceptor energetics, on organic solar cell performance. Our study concludes with a discussion of the implications of these results for the design of NFAs in organic solar cells.

  16. Mass-charge-heat coupled transfers in a single cell of a proton exchange membrane fuel cell; Transferts couples masse-charge-chaleur dans une cellule de pile a combustible a membrane polymere

    Energy Technology Data Exchange (ETDEWEB)

    Ramousse, J.

    2005-11-15

    Understanding and modelling of coupled mass, charges and heat transfers phenomena are fundamental to analyze the electrical behaviour of the system. The aim of the present model is to describe electrical performances of a PEFMC according to the fluidic and thermal operating conditions. The water content of the membrane and the water distribution in the single cell are estimated according to the coupled simulations of mass transport in the thickness of the single cell and in the feeding channels of the bipolar plates. A microscopic model of a Gas Diffusion Electrode is built up to describe charges transfer phenomena occurring at the electrodes. Completed by a study of heat transfer in the Membrane Electrode Assembly, conditions and preferential sites of water vapor condensation can be highlighted. A set of measurements of the effective thermal conductivity of carbon felts used in fuel cells as porous backing layers have also been performed. Although the value of this parameter is essential for the study of heat transfer, it is still under investigation because of the strong thermal anisotropy of the medium. (author)

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

    Science.gov (United States)

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

    2014-10-01

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

  18. Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials.

    Science.gov (United States)

    Park, Sang Kyu; Kim, Jin Hong; Ohto, Tatsuhiko; Yamada, Ryo; Jones, Andrew O F; Whang, Dong Ryeol; Cho, Illhun; Oh, Sangyoon; Hong, Seung Hwa; Kwon, Ji Eon; Kim, Jong H; Olivier, Yoann; Fischer, Roland; Resel, Roland; Gierschner, Johannes; Tada, Hirokazu; Park, Soo Young

    2017-09-01

    A new 2:1 donor (D):acceptor (A) mixed-stacked charge-transfer (CT) cocrystal comprising isometrically structured dicyanodistyrylbenzene-based D and A molecules is designed and synthesized. Uniform 2D-type morphology is manifested by the exquisite interplay of intermolecular interactions. In addition to its appealing structural features, unique optoelectronic properties are unveiled. Exceptionally high photoluminescence quantum yield (Φ F ≈ 60%) is realized by non-negligible oscillator strength of the S 1 transition, and rigidified 2D-type structure. Moreover, this luminescent 2D-type CT crystal exhibits balanced ambipolar transport (µ h and µ e of ≈10 -4 cm 2 V -1 s -1 ). As a consequence of such unique optoelectronic characteristics, the first CT electroluminescence is demonstrated in a single active-layered organic light-emitting transistor (OLET) device. The external quantum efficiency of this OLET is as high as 1.5% to suggest a promising potential of luminescent mixed-stacked CT cocrystals in OLET applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Chemoselective single-site Earth-abundant metal catalysts at metal–organic framework nodes

    Energy Technology Data Exchange (ETDEWEB)

    Manna, Kuntal; Ji, Pengfei; Lin, Zekai; Greene, Francis X.; Urban, Ania; Thacker, Nathan C.; Lin, Wenbin (UC)

    2016-08-30

    Earth-abundant metal catalysts are critically needed for sustainable chemical synthesis. Here we report a simple, cheap and effective strategy of producing novel earth-abundant metal catalysts at metal–organic framework (MOF) nodes for broad-scope organic transformations. The straightforward metalation of MOF secondary building units (SBUs) with cobalt and iron salts affords highly active and reusable single-site solid catalysts for a range of organic reactions, including chemoselective borylation, silylation and amination of benzylic C–H bonds, as well as hydrogenation and hydroboration of alkenes and ketones. Our structural, spectroscopic and kinetic studies suggest that chemoselective organic transformations occur on site-isolated, electron-deficient and coordinatively unsaturated metal centres at the SBUs via σ-bond metathesis pathways and as a result of the steric environment around the catalytic site. MOFs thus provide a novel platform for the development of highly active and affordable base metal catalysts for the sustainable synthesis of fine chemicals.

  20. Chemoselective single-site Earth-abundant metal catalysts at metal-organic framework nodes.

    Science.gov (United States)

    Manna, Kuntal; Ji, Pengfei; Lin, Zekai; Greene, Francis X; Urban, Ania; Thacker, Nathan C; Lin, Wenbin

    2016-08-30

    Earth-abundant metal catalysts are critically needed for sustainable chemical synthesis. Here we report a simple, cheap and effective strategy of producing novel earth-abundant metal catalysts at metal-organic framework (MOF) nodes for broad-scope organic transformations. The straightforward metalation of MOF secondary building units (SBUs) with cobalt and iron salts affords highly active and reusable single-site solid catalysts for a range of organic reactions, including chemoselective borylation, silylation and amination of benzylic C-H bonds, as well as hydrogenation and hydroboration of alkenes and ketones. Our structural, spectroscopic and kinetic studies suggest that chemoselective organic transformations occur on site-isolated, electron-deficient and coordinatively unsaturated metal centres at the SBUs via σ-bond metathesis pathways and as a result of the steric environment around the catalytic site. MOFs thus provide a novel platform for the development of highly active and affordable base metal catalysts for the sustainable synthesis of fine chemicals.

  1. Direct probing of charge carrier behavior in multilayered organic light-emitting diode devices by time-resolved electric-field-induced sum-frequency generation spectroscopy

    Science.gov (United States)

    Miyamae, Takayuki; Takada, Noriyuki; Ohata, Hiroshi; Tsutsui, Tetsuo

    2017-10-01

    Time-resolved electric-field-induced sum-frequency generation (EFI-SFG) spectroscopy was employed to study the charge behavior of multilayer organic light-emitting diodes (OLEDs). Through application of the square wave pulse bias to the OLEDs, compensation for the polarization charges in the electron transport layer and the generation of 4,4‧-bis[N-(1-naphthyl-N-phenylamino)-biphenyl] (α-NPD) cations were observed. When the pulse voltage was turned off, the α-NPD cations immediately disappeared, confirming that charge recombination occurs at the interfaces. We therefore concluded that time-resolved EFI-SFG is useful for directly probing the carrier behavior in OLEDs in addition to identifying the origin of the charge carriers present in OLEDs.

  2. Charge-carrier mobilities in Cd(0.8)Zn(0.2)Te single crystals used as nuclear radiation detectors

    Science.gov (United States)

    Burshtein, Z.; Jayatirtha, H. N.; Burger, A.; Butler, J. F.; Apotovsky, B.; Doty, F. P.

    1993-01-01

    Charge-carrier mobilities were measured for the first time in Cd(0.8)Zn(0.2)Te single crystals using time-of-flight measurements of charge carriers produced by short (10 ns) light pulses from a frequency-doubled Nd:YAG laser (532 nm). The electron mobility displayed a T exp -1.1 dependence on the absolute temperature T in the range 200-320 K, with a room-temperature mobility of 1350 sq cm/V s. The hole mobility displayed a T exp -2.0 dependence in the same temperature range, with a room-temperature mobility of 120 sq cm/V s. Cd(0.8)Zn(0.2)Te appears to be a very favorable material for a room-temperature electronic nuclear radiation detector.

  3. Nanoampere charge pump by single-electron ratchet using silicon nanowire metal-oxide-semiconductor field-effect transistor

    Science.gov (United States)

    Fujiwara, Akira; Nishiguchi, Katsuhiko; Ono, Yukinori

    2008-01-01

    Nanoampere single-electron pumping is presented at 20K using a single-electron ratchet comprising silicon nanowire metal-oxide-semiconductor field-effect transistors. The ratchet features an asymmetric potential with a pocket that captures single electrons from the source and ejects them to the drain. Directional single-electron transfer is achieved by applying one ac signal with the frequency up to 2.3GHz. We find anomalous shapes of current steps which can be ascribed to nonadiabatic electron capture.

  4. Electron Spin Resonance study of charge trapping in α-ZnMoO.sub.4./sub. single crystal scintillator

    Czech Academy of Sciences Publication Activity Database

    Buryi, Maksym; Spassky, D.A.; Hybler, Jiří; Laguta, Valentyn; Nikl, Martin

    2015-01-01

    Roč. 47, Sep (2015), 244-250 ISSN 0925- 3467 R&D Projects: GA MŠk LO1409; GA MŠk(CZ) LM2011029; GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : Electron Spin Resonance * scintillator * charge traps * zinc molybdate Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.183, year: 2015

  5. Corrective action strategy for single-shell tanks containing organic chemicals

    International Nuclear Information System (INIS)

    Turner, D.A.

    1993-08-01

    A Waste Tank Organic Safety Program (Program) Plan is to be transmitted to the U.S. Department of Energy, Richland Operations Office (RL) for approval by December 31, 1993. In April 1993 an agreement was reached among cognizant U.S. Department of Energy - Headquarters (HQ), RL and Westinghouse Hanford Company (WHC) staff that the Program Plan would be preceded by a ''Corrective Action Strategy,'' which addressed selected planning elements supporting the Program Plan. The ''Corrective Action Strategy'' would be reviewed and consensus reached regarding the planning elements. A Program Plan reflecting this consensus would then be prepared. A preliminary ''corrective action strategy'' is presented for resolving the organic tanks safety issue based on the work efforts recommended in the ISB (Interim Safety Basis for Hanford Site tank farm facilities). A ''corrective action strategy'' logic was prepared for individual SSTs (single-shell tanks), or a group of SSTs having similar characteristics, as appropriate. Four aspects of the organic tanks safety issue are addressed in the ISB: SSTs with the potential for combustion in the tank's headspace; combustion of a floating organic layer as a pool fire; surface fires in tanks that formerly held floating organic layers; SSTs with the potential for organic-nitrate reactions. A preliminary ''corrective action strategy'' for each aspect of the organic tanks safety issue is presented

  6. A Dewetting-Induced Assembly Strategy for Precisely Patterning Organic Single Crystals in OFETs.

    Science.gov (United States)

    Kan, Xiaonan; Xiao, Chengyi; Li, Xinmeng; Su, Bin; Wu, Yuchen; Jiang, Wei; Wang, Zhaohui; Jiang, Lei

    2016-07-27

    Simple methods for patterning single crystals are critical to fully realize their applications in electronics. However, traditional vapor and solution methods are deficient in terms of crystals with random spatial and quality distributions. In this work, we report a dewetting-induced assembly strategy for obtaining large-scale and highly oriented organic crystal arrays. We also demonstrate that organic field-effect transistors (OFETs) fabricated from patterned n-alkyl-substituted tetrachloroperylene diimide (R-4ClPDI) single crystals can reach a maximum mobility of 0.65 cm(2) V(-1) s(-1) for C8-4ClPDI in ambient conditions. This technique constitutes a facile method for fabricating OFETs with high performances for large-scale electronics applications.

  7. Whispering-gallery-mode microlaser based on self-assembled organic single-crystalline hexagonal microdisks.

    Science.gov (United States)

    Wang, Xuedong; Liao, Qing; Kong, Qinghua; Zhang, Yi; Xu, Zhenzhen; Lu, Xiaomei; Fu, Hongbing

    2014-06-02

    Whispering-gallery-mode (WGM) resonators of semiconductor microdisks have been applied for achieving low-threshold and narrow-linewidth microlasers, but require sophisticated top-down processing technology. Organic single-crystalline hexagonal microdisks (HMDs) of p-distyrylbenzene (DSB) self-assembled from solution can function as WGM microresonators with a cavity quality factor (Q) of 210. Both multiple- and single-mode lasing had been achieved using DSB HMDs with an edge length of 4.3 and 1.2 μm, respectively. These organic microdisks fabricated by bottom-up self-assembly approach may offer potential applications as low-threshold microlaser sources for photonic circuit integration. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates.

    Science.gov (United States)

    Brozdowska, Agnieszka; Chojnacki, Jarosław

    2017-06-01

    A series of diaminium thiosulfates, derivatives of diamines: NH 2 CH 2 CH(CH 3 )NH 2 (1) and NH 2 (CH 2 ) n NH 2 , n = 3-6 [(2)-(5)] and thiosulfuric acid were prepared and their structures determined by single-crystal X-ray diffraction analysis. Compounds (1), (2) and (4) turned out to be hydrates. The crystal structure of 1,2-propylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers [(1a) and (1b)] were obtained with high enantiometric excess and examined. An extended network of strong, charge-assisted hydrogen bonding of the + N-H...O - type (also O-H...O and O-H...S for hydrates) is most likely the main factor defining crystal packing and the variable conformation of the cations. The formation of chiral hydrogen-bond motifs - distorted cubans - seems to induce the formation of chiral solid-state structure from achiral components in the case of (4). Diaminium thiosulfates with an odd number of C atoms in the alkyl chain [compounds (1), (2) and (4)] form three-dimensional supramolecular networks, while in the case of diaminium salts with an even number of C atoms [(3) and (5)], two-dimensional layers of hydrogen-bond domains are observed. The aminium thiosulfates were also characterized by elemental analysis, NMR and Fourier transform (FT)-IR spectroscopy. The conformations of α,ω-alkyldiaminium cations in the solid state are discussed and rationalized by DFT calculations.

  9. Performance assessment of the single photon emission microscope: high spatial resolution SPECT imaging of small animal organs

    OpenAIRE

    Mejia, J.; Reis, M.A.; Miranda, A.C.C.; Batista, I.R.; Barboza, M.R.F.; Shih, M.C.; Fu, G.; Chen, C.T.; Meng, L.J.; Bressan, R.A.; Amaro Jr, E.

    2013-01-01

    The single photon emission microscope (SPEM) is an instrument developed to obtain high spatial resolution single photon emission computed tomography (SPECT) images of small structures inside the mouse brain. SPEM consists of two independent imaging devices, which combine a multipinhole collimator, a high-resolution, thallium-doped cesium iodide [CsI(Tl)] columnar scintillator, a demagnifying/intensifier tube, and an electron-multiplying charge-coupling device (CCD). Collimators have 300- and ...

  10. Organic and inorganic solar cells parameters evaluation from single I-V plot

    International Nuclear Information System (INIS)

    Chegaar, M.; Nehaoua, N.; Bouhemadou, A.

    2008-01-01

    This paper presents a new method to determine the five solar cell parameters of the single diode lumped circuit model. These parameters are usually the saturation current, the series resistance, the ideality factor, the shunt conductance and the photocurrent. This method is based on the measured current-voltage data. The method has been successfully applied to a commercial silicon solar cell, a module and an organic solar cell

  11. Unusual fatal multiple-organ dysfunction and pancreatitis induced by a single wasp sting

    Directory of Open Access Journals (Sweden)

    C Azad

    2011-01-01

    Full Text Available Acute onset of multiple organ dysfunction syndrome (MODS is a well-known complication following multiple wasp stings. However, MODS after a single wasp sting has been rarely reported in children and acute pancreatitis have probably never been observed before. Herein we describe the case of a 12-year-old boy who had urticaria and abdominal pain after a single wasp sting. The child gradually developed MODS while his abdominal complaints were worsening. Despite aggressive supportive management, the child did not survive. Afterward, the cause of the acute abdomen was finally diagnosed as acute pancreatitis. Both MODS and pancreatitis following a single wasp sting are very unusual. Thus, although pancreatitis is rarely manifested, it should be suspected after a wasp sting if there are predominant abdominal symptoms.

  12. Electro-optic single-crystalline organic waveguides and nanowires grown from the melt.

    Science.gov (United States)

    Figi, Harry; Jazbinsek, Mojca; Hunziker, Christoph; Koechlin, Manuel; Günter, Peter

    2008-07-21

    Organic nonlinear optical materials have proven to possess high and extremely fast nonlinearities compared to conventional inorganic crystals, allowing for sub-1-V driving voltages and modulation bandwidths of over 100 GHz. Compared to more widely studied poled electro-optic polymers, organic electro-optic crystals exhibit orders of magnitude better thermal and photochemical stability. The lack of available structuring techniques for organic crystals has been the major drawback for exploring their potential for photonic structures. Here we present a new approach to fabricate high-quality electro-optic single crystal waveguides and nanowires of configurationally locked polyene DAT2 (2-(3-(2-(4-dimethylaminophenyl)vinyl)-5,5-dimethylcyclohex-2-enylidene)malononitrile). The high-index-contrast waveguides (delta(n) = 0.54 +/- 0.04) are grown from the melt between two anodically bonded borosilicate glass wafers, which are structured and equipped with electrodes prior to bonding. Electro-optic phase modulation is demonstrated for the first time in the non-centrosymmetric DAT2 single crystalline channel waveguides at a wavelength of 1.55 microm. We also show that this technique in combination with DAT2 material allows for the fabrication of single-crystalline nanostructures inside large-area devices with crystal thicknesses below 30 nm and lengths of above 7 mm.

  13. Solution coating of large-area organic semiconductor thin films with aligned single-crystalline domains

    KAUST Repository

    Diao, Ying

    2013-06-02

    Solution coating of organic semiconductors offers great potential for achieving low-cost manufacturing of large-area and flexible electronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of thin-film morphology. Here, we report an approach - termed fluid-enhanced crystal engineering (FLUENCE) - that allows for a high degree of morphological control of solution-printed thin films. We designed a micropillar-patterned printing blade to induce recirculation in the ink for enhancing crystal growth, and engineered the curvature of the ink meniscus to control crystal nucleation. Using FLUENCE, we demonstrate the fast coating and patterning of millimetre-wide, centimetre-long, highly aligned single-crystalline organic semiconductor thin films. In particular, we fabricated thin films of 6,13-bis(triisopropylsilylethynyl) pentacene having non-equilibrium single-crystalline domains and an unprecedented average and maximum mobilities of 8.1±1.2 cm2 V-1 s -1 and 11 cm2 V-1 s-1. FLUENCE of organic semiconductors with non-equilibrium single-crystalline domains may find use in the fabrication of high-performance, large-area printed electronics. © 2013 Macmillan Publishers Limited. All rights reserved.

  14. A novel framework for molecular characterization of atmospherically relevant organic compounds based on collision cross section and mass-to-charge ratio

    OpenAIRE

    X. Zhang; J. E. Krechmer; J. E. Krechmer; M. Groessl; W. Xu; S. Graf; M. Cubison; J. T. Jayne; J. L. Jimenez; J. L. Jimenez; D. R. Worsnop; M. R. Canagaratna

    2016-01-01

    A new metric is introduced for representing the molecular signature of atmospherically relevant organic compounds, the collision cross section (Ω), a quantity that is related to the structure and geometry of molecules and is derived from ion mobility measurements. By combination with the mass-to-charge ratio (m∕z), a two-dimensional Ω − m∕z space is developed to facilitate the comprehensive investigation of the complex organic mixtures. A unique distribution pattern of ch...

  15. Role of hyperfine interaction on electron spin optical orientation in charge-controlled InAs-GaAs single quantum dots

    International Nuclear Information System (INIS)

    Krebs, O.; Eble, B.; Lemaitre, A.; Kudelski, A.; Voisin, P.; Urbaszek, B.; Marie, X.; Amand, T.; Kowalik, K.

    2007-01-01

    We report on electron spin physics in a single charge-tunable self-assembled InAs/GaAs quantum dot. The hyperfine interaction between the optically oriented electron and nuclear spins leads to the polarization of the quantum dot nuclei. The sign of the resulting Overhauser-shift depends on the trion state X + or X - , and remarkably its strength does not vanish in zero magnetic field. This explains the quenching of X + spin relaxation under steady-state excitation polarization. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. First Measurement of the Muon Neutrino Charged Current Single Pion Production Cross Section on Water with the T2K Near Detector

    CERN Document Server

    Abe, K.

    2017-01-26

    The T2K off-axis near detector, ND280, is used to make the first differential cross section measurements of muon neutrino charged current single positive pion production on a water target at energies ${\\sim}0.8$~GeV. The differential measurements are presented as a function of muon and pion kinematics, in the restricted phase-space defined by $p_{\\pi^+}>200$MeV/c, $p_{\\mu^-}>200$MeV/c, $\\cos \\theta_{\\pi^+}>0.3$ and $\\cos \\theta_{\\mu^-}>0.3$. The total flux integrated $\

  17. Exploring Charge Transport in Guest Molecule Infiltrated Cu3(BTC)2 Metal Organic Framework

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, Francois Leonard [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stavila, Vitalie [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Allendorf, Mark D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2014-09-01

    The goal of this Exploratory Express project was to expand the understanding of the physical properties of our recently discovered class of materials consisting of metal-organic frameworks with electroactive ‘guest’ molecules that together form an electrically conducting charge-transfer complex (molecule@MOF). Thin films of Cu3(BTC)2 were grown on fused silica using solution step-by-step growth and were infiltrated with the molecule tetracyanoquinodimethane (TCNQ). The infiltrated MOF films were extensively characterized using optical microscopy, scanning electron microscopy, Raman spectroscopy, electrical conductivity, and thermoelectric properties. Thermopower measurements on TCNQ@Cu3(BTC)2 revealed a positive Seebeck coefficient of ~400 μV/k, indicating that holes are the primary carriers in this material. The high value of the Seebeck coefficient and the expected low thermal conductivity suggest that molecule@MOF materials may be attractive for thermoelectric power conversion applications requiring low cost, solution-processable, and non-toxic active materials.

  18. Solution-printed organic semiconductor blends exhibiting transport properties on par with single crystals

    KAUST Repository

    Niazi, Muhammad Rizwan

    2015-11-23

    Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2 V−1 s−1, low threshold voltages of<1 V and low subthreshold swings <0.5 V dec−1). Our findings demonstrate that careful control over phase separation and crystallization can yield solution-printed polycrystalline organic semiconductor films with transport properties and other figures of merit on par with their single-crystal counterparts.

  19. Analysis of organic carbon and moisture in Hanford single-shell tank waste

    Energy Technology Data Exchange (ETDEWEB)

    Toth, J.J.; Heasler, P.G.; Lerchen, M.E.; Hill, J.G.; Whitney, P.D.

    1995-05-01

    This report documents a revised analysis performed by Pacific Northwest Laboratory involving the organic carbon laboratory measurement data for Hanford single-shell tanks (SSTs) obtained from a review of the laboratory analytical data. This activity has as its objective to provide a best-estimate, including confidence levels, of total organic carbon (TOC) and moisture in each of the 149 SSTs at Hanford. The TOC and moisture information presented in this report is useful as part of the criteria to identify SSTs for additional measurements, or monitoring for the Organic Safety Program. In April 1994, an initial study of the organic carbon in Hanford single-shell tanks was completed at PNL. That study reflected the estimates of TOC based on tank characterizations datasets that were available at the time. Also in that study, estimation of dry basis TOC was based on generalized assumptions pertaining to the moisture of the tank wastes. The new information pertaining to tank moisture and TOC data that has become available from the current study influences the best estimates of TOC in each of the SSTs. This investigation of tank TOC and moisture has resulted in improved estimates based on waste phase: saltcake, sludge, or liquid. This report details the assumptions and methodologies used to develop the estimates of TOC and moisture in each of the 149 SSTs at Hanford.

  20. Analysis of organic carbon and moisture in Hanford single-shell tank waste

    International Nuclear Information System (INIS)

    Toth, J.J.; Heasler, P.G.; Lerchen, M.E.; Hill, J.G.; Whitney, P.D.

    1995-05-01

    This report documents a revised analysis performed by Pacific Northwest Laboratory involving the organic carbon laboratory measurement data for Hanford single-shell tanks (SSTs) obtained from a review of the laboratory analytical data. This activity has as its objective to provide a best-estimate, including confidence levels, of total organic carbon (TOC) and moisture in each of the 149 SSTs at Hanford. The TOC and moisture information presented in this report is useful as part of the criteria to identify SSTs for additional measurements, or monitoring for the Organic Safety Program. In April 1994, an initial study of the organic carbon in Hanford single-shell tanks was completed at PNL. That study reflected the estimates of TOC based on tank characterizations datasets that were available at the time. Also in that study, estimation of dry basis TOC was based on generalized assumptions pertaining to the moisture of the tank wastes. The new information pertaining to tank moisture and TOC data that has become available from the current study influences the best estimates of TOC in each of the SSTs. This investigation of tank TOC and moisture has resulted in improved estimates based on waste phase: saltcake, sludge, or liquid. This report details the assumptions and methodologies used to develop the estimates of TOC and moisture in each of the 149 SSTs at Hanford

  1. Bianthrone in a Single-Molecule Junction: Conductance Switching with a Bistable Molecule Facilitated by Image Charge Effects

    DEFF Research Database (Denmark)

    Bjørnholm, Thomas

    2010-01-01

    isomerization events. Temperature dependence of the switching rate allows for an estimate of the activation energy of the process, on the order of 120 +/- 50 meV. Quantum-chemical calculations of the potential energy relief of neutral bianthrone and its anion, including identification of transition states......, yields the isolated molecule isomerization barriers too high vs the previous estimate, though compatible with previous experimental studies in solution. Nevertheless, we show that the attraction of the anion in the vicinity of the metal surface by its image charge can change the energetic landscape...

  2. Syntheses of planar 1,5,2,4,6,8-dithiotetrazocine derivatives and thermodynamic study on intermolecular charge transfer for developing efficient organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao-Zhi, E-mail: zhangchaozhi@nuist.edu.cn [Department of Chemistry, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Shen, Dan [Department of Chemistry, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Yuan, Yang [Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Song, Ming-Xia; Li, Shi-Juan [Department of Chemistry, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Cao, Hui, E-mail: yccaoh@hotmail.com [Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, Nanjing University of Information Science & Technology, Nanjing 210044 (China)

    2016-07-01

    A series of planar 1,5,2,4,6,8-dithiotetrazocine derivatives were synthesized for study on charge transfer at donor/acceptor interface. The fluorescence quenching spectra, and the highest occupied molecular orbital (−6.10 ∼ −6.25 eV) and the lowest unoccupied molecular orbital (−3.45 ∼ −3.58 eV) energy levels of these 1,5,2,4,6,8-dithiotetrazocine derivatives show that they would be potential acceptor materials. Based on theoretical calculations, thermodynamic study on charge transfer at donor/acceptor interface was carried out. The results of experiments and theoretical calculations show that the electrons could transfer spontaneously from poly(3-hexylthiophene) to these acceptors. The percentages of fluorescence quenching increase with negative Gibbs free energy values increasing in the charge transfer procedures. Therefore, short circuit current values of organic solar cells would increase with the Gibbs free energy values increasing. This paper suggests a useful way for developing efficient organic solar cells. - Highlights: • Syntheses of planar 1,5,2,4,6,8-dithiotetrazocine derivatives for develop effective acceptor. • Electrons at excited state in P3HT could transfer spontaneously to these acceptors. • Thermodynamic study on charge transfer at donor/acceptor interface. • Short circuit currents would be predicted by Gibbs free energy in procedure of charge transfer.

  3. Threshold voltage variation depending on single grain boundary and stored charges in an adjacent cell for vertical silicon–oxide–nitride–oxide–silicon NAND flash memory

    Science.gov (United States)

    Oh, Hyeongwan; Kim, Jiwon; Baek, Rock-Hyun; Lee, Jeong-Soo

    2018-04-01

    The effects of single grain boundary (SGB) position and stored electron charges in an adjacent cell in silicon–oxide–nitride–oxide–silicon (SONOS) structures on the variations of threshold voltage (V th) were investigated using technology computer-aided design (TCAD) simulation. As the bit line voltage increases, the SGB position causing the maximum V th variation was shifted from the center to the source side in the channel, owing to the drain-induced grain barrier lowering effect. When the SGB is located in the spacer region, the potential interaction from both the SGB and the stored electron charges in the adjacent cell becomes significant and thus resulting in larger V th variation. In contrast, when the SGB is located at the center of the channel, the peak position of potential barrier is shifted to the center, so that the influence of the adjacent cell is diminished. As the gate length is scaled down to 20 nm, the influence of stored charges in adjacent cells becomes significant, resulting in larger V th variations.

  4. Neutral and Charged Exciton Fine Structure in Single Lead Halide Perovskite Nanocrystals Revealed by Magneto-optical Spectroscopy.

    Science.gov (United States)

    Fu, Ming; Tamarat, Philippe; Huang, He; Even, Jacky; Rogach, Andrey L; Lounis, Brahim

    2017-05-10

    Revealing the crystal structure of lead halide perovskite nanocrystals is essential for the optimization of stability of these emerging materials in applications such as solar cells, photodetectors, and light-emitting devices. We use magneto-photoluminescence spectroscopy of individual perovskite CsPbBr 3 nanocrystals as a unique tool to determine their crystal structure, which imprints distinct signatures in the excitonic sublevels of charge complexes at low temperatures. At zero magnetic field, the identification of two classes of photoluminescence spectra, displaying either two or three sublevels in their exciton fine structure, shows evidence for the existence of two crystalline structures, namely tetragonal D 4h and orthorhombic D 2h phases. Magnetic field shifts, splitting, and coupling of the sublevels provide a determination of the diamagnetic coefficient and valuable information on the exciton g-factor and its anisotropic character. Moreover, this spectroscopic study reveals the optical properties of charged excitons and allows the extraction of the electron and hole g-factors for perovskite systems.

  5. Ultrafast Charge and Triplet State Formation in Diketopyrrolopyrrole Low Band Gap Polymer/Fullerene Blends: Influence of Nanoscale Morphology of Organic Photovoltaic Materials on Charge Recombination to the Triplet State

    Directory of Open Access Journals (Sweden)

    René M. Williams

    2017-01-01

    Full Text Available Femtosecond transient absorption spectroscopy of thin films of two types of morphologies of diketopyrrolopyrrole low band gap polymer/fullerene-adduct blends is presented and indicates triplet state formation by charge recombination, an important loss channel in organic photovoltaic materials. At low laser fluence (approaching solar intensity charge formation characterized by a 1350 nm band (in ~250 fs dominates in the two PDPP-PCBM blends with different nanoscale morphologies and these charges recombine to form a local polymer-based triplet state on the sub-ns timescale (in ~300 and ~900 ps indicated by an 1100 nm absorption band. The rate of triplet state formation is influenced by the morphology. The slower rate of charge recombination to the triplet state (in ~900 ps belongs to a morphology that results in a higher power conversion efficiency in the corresponding device. Nanoscale morphology not only influences interfacial area and conduction of holes and electrons but also influences the mechanism of intersystem crossing (ISC. We present a model that correlates morphology to the exchange integral and fast and slow mechanisms for ISC (SOCT-ISC and H-HFI-ISC. For the pristine polymer, a flat and unstructured singlet-singlet absorption spectrum (between 900 and 1400 nm and a very minor triplet state formation (5% are observed at low laser fluence.

  6. Facile synthesis and enhanced photocatalytic activity of single-crystalline nanohybrids for the removal of organic pollutants

    Science.gov (United States)

    Pervaiz, Erum; Liu, Honghong; Yang, Minghui

    2017-03-01

    This study focused on the synthesis of α-MoO3/rGO (rGO, reduced graphene oxide). One-dimensional nanohybrids under mild conditions and a low temperature wet chemical route produced highly pure single-crystalline orthorhombic α-MoO3 on GO sheets. Four nanohybrids, labeled as GMO-0, GMO-1, GMO-2 and GMO-3, were synthesized with different mass chargings of GO (0 mg, 40 mg, 60 mg and 100 mg, respectively). The photocatalytic performance for reduction of organic pollutants was analyzed. The presence of different amounts of GO in the prepared metal oxide hybrids altered the performance of the material as elaborated by the Brunauer-Emmett-Teller surface area, UV-visible diffuse reflectance spectra and the resulting reduction of organic dyes depicted by photocatalytic experiments. GO as a support material and active co-catalyst decreased the band gap of α-MoO3 (2.82 eV) to lower values (2.51 eV), rendering the prepared hybrids usable for visible-light-induced photocatalysis. The large specific surface area (72 m2 g-1) of the mesoporous α-MoO3/rGO nanohybrid made it an efficient photocatalyst for the elimination of azo dyes. Very fast reduction (100%) of Rhodamine B was observed in a few minutes, while Congo Red was degraded by 76% in 10 min, leading to the formation of stable intermediates that were completely neutralized in 12-14 h under light irradiation. The amount of GO loaded in the samples was limited to a point to achieve better results. After that, increasing the amount of GO decreased the extent of degradation due to the presence of a higher electron acceptor. Photocatalytic experiments revealed the synergistic effect, high selectivity of the prepared nanohybrids and degradation of azo dyes. The kinetics of the degradation reaction were studied and found to follow a pseudo first-order reaction.

  7. Controlled Growth of Large-Area Aligned Single-Crystalline Organic Nanoribbon Arrays for Transistors and Light-Emitting Diodes Driving

    Science.gov (United States)

    Wang, Wei; Wang, Liang; Dai, Gaole; Deng, Wei; Zhang, Xiujuan; Jie, Jiansheng; Zhang, Xiaohong

    2017-10-01

    Organic field-effect transistors (OFETs) based on organic micro-/nanocrystals have been widely reported with charge carrier mobility exceeding 1.0 cm2 V-1 s-1, demonstrating great potential for high-performance, low-cost organic electronic applications. However, fabrication of large-area organic micro-/nanocrystal arrays with consistent crystal growth direction has posed a significant technical challenge. Here, we describe a solution-processed dip-coating technique to grow large-area, aligned 9,10-bis(phenylethynyl) anthracene (BPEA) and 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-PEN) single-crystalline nanoribbon arrays. The method is scalable to a 5 × 10 cm2 wafer substrate, with around 60% of the wafer surface covered by aligned crystals. The quality of crystals can be easily controlled by tuning the dip-coating speed. Furthermore, OFETs based on well-aligned BPEA and TIPS-PEN single-crystalline nanoribbons were constructed. By optimizing channel lengths and using appropriate metallic electrodes, the BPEA and TIPS-PEN-based OFETs showed hole mobility exceeding 2.0 cm2 V-1 s-1 (average mobility 1.2 cm2 V-1 s-1) and 3.0 cm2 V-1 s-1 (average mobility 2.0 cm2 V-1 s-1), respectively. They both have a high on/off ratio ( I on/ I off) > 109. The performance can well satisfy the requirements for light-emitting diodes driving.

  8. DFT calculations of the charged states of N@C60 and Fe4 single molecule magnets investigated in tunneling spectroscopy

    Science.gov (United States)

    Nossa, Javier; Islam, Fhokrul; Canali, Carlo; Pederson, Mark

    2012-02-01

    For device applications of single molecule magnets (SMMs) in high-density information storage and quantum-state control it is essential that the magnetic properties of the molecules remain stable under the influence of metallic contacts or surface environment. Recent tunneling experiments [1, 2] on N@C60 and Fe4 SMM have shown that these molecules preserve their magnetic characteristics when they are used as the central island of single-electron transistors. Although quantum spin models have been used extensively to study theoretically tunneling spectroscopy of SMMs, it has been shown recently that the orbital degrees of freedom, which is absent in spin models, can significantly affect the tunneling conductance [3]. In this work we present first-principles calculations of the neutral and charged states of N@C60 and Fe4 SMMs, and discuss a strategy to include their properties into a theory of quantum transport. We also present results of the magnetic anisotropy for the different charge states of Fe4 and discuss their relevance for experiments [2] in the sequential tunneling and cotunnelling regimes. [4pt] [1]. N. Roch et al., Phys. Rev. B 83, 081407 (2011). [0pt] [2]. A.S. Zyazin et al., Nano Lett. 10, 3307 (2010). [0pt] [3]. L. Michalak et al., Phys. Rev. Lett. 104, 017202 (2010).

  9. 76 FR 54235 - Supplement to the FY2010 Single-Source Cooperative Agreement With the World Health Organization...

    Science.gov (United States)

    2011-08-31

    ... Cooperative Agreement With the World Health Organization (WHO) AGENCY: Biomedical Advanced Research... supplement the FY2010 ``Single-Source Cooperative Agreement with the World Health Organization (WHO) to...-economy countries worldwide via a cooperative agreement with the World Health Organization (WHO). The...

  10. Bianthrone in a Single-Molecule Junction: Conductance Switching with a Bistable Molecule Facilitated by Image Charge Effects

    DEFF Research Database (Denmark)

    Bjørnholm, Thomas

    2010-01-01

    Bianthrone is a sterically hindered compound that exists in the form of two nonplanar isomers. Our experimental study of single-molecule junctions with bianthrone reveals persistent switching of electric conductance at low temperatures, which can be reasonably associated with molecular isomerizat...

  11. A new Insight Into Microscale Soil Organic Matter Dynamics - From Single Particles to Aggregates

    Science.gov (United States)

    Mueller, C. W.; Heister, K.; Hillion, F.; Herrmann, A. M.; Koegel-Knabner, I.

    2008-12-01

    Both mineral interactions and the spatial inaccessibility due to aggregation are key-factors affecting the stabilization of soil organic matter (SOM). Knowledge about the factors controlling the preservation of SOM and underlying stabilization mechanisms has improved significantly over the last years. Nevertheless, in situ processes remain almost unclear and are still challenging to evaluate. In the presented work, we studied the alteration of spatial distribution of fresh introduced OM over time on single particles and in intact soil aggregates. Single particles of a fine silt and clay mixture (resin embedded. Samples were then analyzed by scanning electron microscopy (SEM) and nano-scale secondary ion mass spectrometry (nanoSIMS50). We will demonstrate the spatial distribution of OM on single particles and in intact soil aggregates at the microscale by SEM and nanoSIMS. In addition, with the isotopic sensitivity of nanoSIMS, we are able to follow the fate of 13C and 15N, which is expected to be influenced by diffusion, sorption and microbial activity. From these results, we propose how OM in soil can be stabilized on single soil particles and at complex soil aggregates.

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

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Kaname [Department of Electronics, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp [Faculty of Electrical Engineering and Electronics, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yanagi, Hisao [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Yamao, Takeshi; Hotta, Shu [Faculty of Materials Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan)

    2016-08-08

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

  13. Giant plasmon excitation in single and double ionization of C{sub 60} by fast highly charged Si and O ions

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, A H; Kadhane, U; Misra, D; Tribedi, L C [Tata Institute of Fundamental Research, Colaba, Mumbai-5 (India)

    2007-09-15

    Se have investigated single and double ionization of C{sub 60} molecule in collisions with 2.33 MeV/u Si{sup q+} (q=6-14) and 3.125 MeV/u O{sup q+} (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C{sub 60} are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening.

  14. Charge trapping in polymer dielectrics and potentials at organic donor-acceptor junctions-the role of interface and bulk contributions

    Science.gov (United States)

    Alley, Olivia

    Organic electronics have attracted increasing interest during the past decade due to their potential applications in transparent, large-area, printable, and stretchable devices. Solution based material deposition considerably reduces processing costs, and allows the use of non-standard substrates in device design. Many organic electronic device parameters are controlled by interfacial as well as bulk properties. Organic donor-acceptor junctions are relevant to organic photovoltaics (OPVs) as well as organic light emitting diodes (OLEDs). In an OPV, interfacial potentials between the hole transporting (donor) organic semiconductor (OSC) and electron transporting OSC (acceptor) lead to separation and recombination of electrons and holes. The mechanisms behind interfacial potential formation in organic donor-acceptor junctions are not fully understood and are an active area of study. In this thesis, the interfacial potential was measured, and interface and bulk contributions were separated by fabricating lateral organic donor-acceptor junctions both with and without a gap between the donor and acceptor materials. Contact between the donor and acceptor materials increases the interfacial potential beyond that calculated from bulk values. This can be explained through differences in electron affinity of the donor and acceptor, and also by differences in the delocalization of molecular orbitals (MOs) of the two OSC films. Greater delocalization of MOs allows for electron donation to adjacent molecules, a surprising result in organic electronics. In addition, the effect of the substrate on the potential was examined. The field is persistently negative on the acceptor side when the junction is made on a SiO2 substrate. When Al2Oi3, a substrate with higher dielectric constant, is used, the field decreases in one case, and reverses in the other. For organic field effect transistors (OFETs), the instability of switching voltages is an interface-dominated issue which causes

  15. The Roles of Structural Order and Intermolecular Interactions in Determining Ionization Energies and Charge-Transfer State Energies in Organic Semiconductors

    KAUST Repository

    Graham, Kenneth

    2016-08-17

    The energy landscape in organic semiconducting materials greatly influences charge and exciton behavior, which are both critical to the operation of organic electronic devices. These energy landscapes can change dramatically depending on the phases of material present, including pure phases of one molecule or polymer and mixed phases exhibiting different degrees of order and composition. In this work, ultraviolet photoelectron spectroscopy measurements of ionization energies (IEs) and external quantum efficiency measurements of charge-transfer (CT) state energies (ECT) are applied to molecular photovoltaic material systems to characterize energy landscapes. The results show that IEs and ECT values are highly dependent on structural order and phase composition. In the sexithiophene:C60 system both the IEs of sexithiophene and C60 shift by over 0.4 eV while ECT shifts by 0.5 eV depending on molecular composition. By contrast, in the rubrene:C60 system the IE of rubrene and C60 vary by ≤0.11 eV and ECT varies by ≤0.04 eV as the material composition varies. These results suggest that energy landscapes can exist whereby the binding energies of the CT states are overcome by energy offsets between charges in CT states in mixed regions and free charges in pure phases. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Oxygenated organic functional groups and their sources in single and submicron organic particles in MILAGRO 2006 campaign

    Directory of Open Access Journals (Sweden)

    S. Liu

    2009-09-01

    Full Text Available Fourier Transform Infrared (FTIR and X-ray Fluorescence (XRF were used to measure organic functional groups and elements of submicron particles collected during MILAGRO in March 2006 on three platforms: the Mexico City urban area (SIMAT, the high altitude site at 4010 m (Altzomoni, and the NCAR C130 aircraft. Scanning Transmission X-ray Microscopy (STXM and Near-Edge X-ray Absorption Fine Structure (NEXAFS were applied to single particle organic functional group abundance analysis of particles simultaneously collected at SIMAT and C130. Correlations of elemental concentrations showed different groups of source-related elements at SIMAT, Altzomoni, and C130, suggesting different processes affecting the air masses sampled at the three platforms. Cluster analysis resulted in seven distinct clusters of FTIR spectra, with the last three clusters consisting of spectra collected almost exclusively on the C130 platform, reflecting the variety of sources contributing to C130 samples. Positive Matrix Factorization (PMF of STXM-NEXAFS spectra identified three main factors representing soot, secondary, and biomass burning type spectra. PMF of FTIR spectra resulted in two fossil fuel combustion factors and one biomass burning factor, the former representative of source regions to the northeast and southwest of SIMAT. Alkane, carboxylic acid, amine, and alcohol functional groups were mainly associated with combustion related sources, while non-acid carbonyl groups were likely from biomass burning events. The majority of OM and O/C was attributed to combustion sources, although no distinction between direct emissions and atmospherically processed OM could be identified.

  17. XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.

    Science.gov (United States)

    Mohanraj, J; Capria, E; Benevoli, L; Perucchi, A; Demitri, N; Fraleoni-Morgera, A

    2018-01-17

    The anisotropic thermal expansion properties of an organic semiconducting single crystal constituted by 4-hydroxycyanobenzene (4HCB) have been probed by XRD in the range 120-300 K. The anisotropic thermal expansion coefficients for the three crystallographic axes and for the crystal volume have been determined. A careful analysis of the crystal structure revealed that the two different H-bonds stemming from the two independent, differently oriented 4HCB molecules composing the unit cell have different rearrangement patterns upon temperature variations, in terms of both bond length and bond angle. Linearly Polarized Mid InfraRed (LP-MIR) measurements carried out in the same temperature range, focused on the O-H bond spectral region, confirm this finding. The same LP-MIR measurements, on the basis of a semi-empirical relation and of geometrical considerations and assumptions, allowed calculation of the -CNH-O- hydrogen bond length along the a and b axes of the crystal. In turn, the so-calculated -CNH-O- bond lengths were used to derive the thermal expansion coefficients along the corresponding crystal axes, as well as the volumetric one, using just the LP-MIR data. Reasonable to good agreement with the same values obtained from XRD measurements was obtained. This proof-of-principle opens interesting perspectives about the possible development of a rapid, low cost and industry-friendly assessment of the thermal expansion properties of organic semiconducting single crystals (OSSCs) involving hydrogen bonds.

  18. Sintering-resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhanyong; Schweitzer, Neil; League, Aaron; Bernales Candia, Sandra Varinia; Peters, Aaron; Getsoian, Andrew G.; Wang, Timothy; Miller, Jeffrey T.; Vjunov, Aleksei; Fulton, John L.; Lercher, Johannes A.; Cramer, Christopher J.; Gagliardi, Laura; Hupp, Joseph; Farha, Omar

    2016-02-17

    Developing supported single-site catalysts is an important goal in heterogeneous catalysis, since the well-defined active sites afford opportunities for detailed mechanistic studies, thereby facilitating the design of improved catalysts. We present herein a method for installing Ni ions uniformly and precisely on the node of a Zr-based MOF, NU-1000, in high density and large quantity (denoted as Ni-AIM) using atomic layer deposition (ALD) in a metal–organic framework (MOF) (AIM). Ni-AIM is demonstrated to be an efficient gas-phase hydrogenation catalyst upon activation. The structure of the active sites in Ni-AIM is proposed, revealing its single-site nature. More importantly, due to the organic linker used to construct the MOF support, the Ni ions stay isolated throughout the hydrogenation catalysis, in accord with its long-term stability. A quantum chemical characterization of the catalyst and the catalytic process complements the experimental results. With validation of computational modeling protocols, we further targeted ethylene oligomerization catalysis by Ni-AIM guided by theoretical prediction. Given the generality of the AIM methodology, this emerging class of materials should prove ripe for the discovery of new catalysts for the transformation of volatile substrates.

  19. Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework.

    Science.gov (United States)

    Li, Zhanyong; Schweitzer, Neil M; League, Aaron B; Bernales, Varinia; Peters, Aaron W; Getsoian, Andrew Bean; Wang, Timothy C; Miller, Jeffrey T; Vjunov, Aleksei; Fulton, John L; Lercher, Johannes A; Cramer, Christopher J; Gagliardi, Laura; Hupp, Joseph T; Farha, Omar K

    2016-02-17

    Developing supported single-site catalysts is an important goal in heterogeneous catalysis since the well-defined active sites afford opportunities for detailed mechanistic studies, thereby facilitating the design of improved catalysts. We present herein a method for installing Ni ions uniformly and precisely on the node of a Zr-based metal-organic framework (MOF), NU-1000, in high density and large quantity (denoted as Ni-AIM) using atomic layer deposition (ALD) in a MOF (AIM). Ni-AIM is demonstrated to be an efficient gas-phase hydrogenation catalyst upon activation. The structure of the active sites in Ni-AIM is proposed, revealing its single-site nature. More importantly, due to the organic linker used to construct the MOF support, the Ni ions stay isolated throughout the hydrogenation catalysis, in accord with its long-term stability. A quantum chemical characterization of the catalyst and the catalytic process complements the experimental results. With validation of computational modeling protocols, we further targeted ethylene oligomerization catalysis by Ni-AIM guided by theoretical prediction. Given the generality of the AIM methodology, this emerging class of materials should prove ripe for the discovery of new catalysts for the transformation of volatile substrates.

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

    Directory of Open Access Journals (Sweden)

    Tetsuro Hori

    2010-11-01

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

  1. Development and characterization of a single particle laser ablation mass spectrometer (SPLAM for organic aerosol studies

    Directory of Open Access Journals (Sweden)

    F. Gaie-Levrel

    2012-01-01

    Full Text Available A single particle instrument was developed for real-time analysis of organic aerosol. This instrument, named Single Particle Laser Ablation Mass Spectrometry (SPLAM, samples particles using an aerodynamic lens system for which the theoretical performances were calculated. At the outlet of this system, particle detection and sizing are realized by using two continuous diode lasers operating at λ = 403 nm. Polystyrene Latex (PSL, sodium chloride (NaCl and dioctylphtalate (DOP particles were used to characterize and calibrate optical detection of SPLAM. The optical detection limit (DL and detection efficiency (DE were determined using size-selected DOP particles. The DE ranges from 0.1 to 90% for 100 and 350 nm DOP particles respectively and the SPLAM instrument is able to detect and size-resolve particles as small as 110–120 nm. During optical detection, particle scattered light from the two diode lasers, is detected by two photomultipliers and the detected signals are used to trigger UV excimer laser (λ = 248 nm used for one-step laser desorption ionization (LDI of individual aerosol particles. The formed ions are analyzed by a 1 m linear time-of-flight mass spectrometer in order to access to the chemical composition of individual particles. The TOF-MS detection limit for gaseous aromatic compounds was determined to be 0.85 × 10−15 kg (∼4 × 103 molecules. DOP particles were also used to test the overall operation of the instrument. The analysis of a secondary organic aerosol, formed in a smog chamber by the ozonolysis of indene, is presented as a first application of the instrument. Single particle mass spectra were obtained with an effective hit rate of 8%. Some of these mass spectra were found to be very different from one particle to another possibly reflecting chemical differences within the investigated indene SOA particles. Our study shows that an exhaustive statistical analysis, over hundreds of particles

  2. Life in extreme environments: single molecule force spectroscopy as a tool to explore proteins from extremophilic organisms.

    Science.gov (United States)

    Tych, Katarzyna M; Hoffmann, Toni; Batchelor, Matthew; Hughes, Megan L; Kendrick, Katherine E; Walsh, Danielle L; Wilson, Michael; Brockwell, David J; Dougan, Lorna

    2015-04-01

    Extremophiles are organisms which survive and thrive in extreme environments. The proteins from extremophilic single-celled organisms have received considerable attention as they are structurally stable and functionally active under extreme physical and chemical conditions. In this short article, we provide an introduction to extremophiles, the structural adaptations of proteins from extremophilic organisms and the exploitation of these proteins in industrial applications. We provide a review of recent developments which have utilized single molecule force spectroscopy to mechanically manipulate proteins from extremophilic organisms and the information which has been gained about their stability, flexibility and underlying energy landscapes.

  3. Ultrafast Gigantic Photo-Response in Charge-Ordered Organic Salt (EDO-TTF)2PF6 on 10-fs time scales

    Science.gov (United States)

    Itatani, J.; Rini, M.; Cavalleri, A.; Onda, K.; Ishikawa, T.; Ogihara, S.; Koshihara, S.; Shao, X. F.; Nakano, Y.; Yamochi, H.; Saito, G.; Schoenlein, R. W.

    The initial dynamics of photo-induced phase transition in charge-ordered organic salt (EDO-TTF)2PF6 was investigated using 10-fs near-infrared laser pulses. We observed sub-20-fs gigantic photo-responses (|∆R/R|>100%) due to intra-molecular vibration and a clear signature of a structural bottleneck (~50 fs) for the first time.

  4. Electronic, structural, and substrate effect properties of single-layer covalent organic frameworks

    International Nuclear Information System (INIS)

    Liang, Liangbo; Zhu, Pan; Meunier, Vincent

    2015-01-01

    Recently synthesized two-dimensional covalent organic frameworks (COFs) exhibit high surface area, large pore size, and unique structural architectures, making them promising materials for various energy applications. Here, a total of nine COFs structures, including two deposited on a hexagonal boron nitride substrate, are investigated using density functional theory, quasi-particle many-body theory within the GW approximation, and an image charge model. The structures considered belong to two major families (thiophene-based COF-n (T-COF-n) and tetrakis (4-aminophenyl) porphyrin-x (TAPP-x)) differing from the presence of B—O or C=N linkers. While T-COF-n structures are shown to constitute planar networks, TAPP-x systems can display non-negligible corrugation due to the out-of-plane rotation of phenyl rings. We find that the electronic properties do not differ significantly when altering the chain molecules within each family. Many-body effects are shown to lead to large band-gap increase while the presence of the substrate yields appreciable reductions of the gaps, due to substrate polarization effects

  5. Aftershock Sequences and Seismic-Like Organization of Acoustic Events Produced by a Single Propagating Crack

    Science.gov (United States)

    Alizee, D.; Bonamy, D.

    2017-12-01

    In inhomogeneous brittle solids like rocks, concrete or ceramics, one usually distinguish nominally brittle fracture, driven by the propagation of a single crack from quasibrittle one, resulting from the accumulation of many microcracks. The latter goes along with intermittent sharp noise, as e.g. revealed by the acoustic emission observed in lab scale compressive fracture experiments or at geophysical scale in the seismic activity. In both cases, statistical analyses have revealed a complex time-energy organization into aftershock sequences obeying a range of robust empirical scaling laws (the Omori-Utsu, productivity and Bath's law) that help carry out seismic hazard analysis and damage mitigation. These laws are usually conjectured to emerge from the collective dynamics of microcrack nucleation. In the experiments presented at AGU, we will show that such a statistical organization is not specific to the quasi-brittle multicracking situations, but also rules the acoustic events produced by a single crack slowly driven in an artificial rock made of sintered polymer beads. This simpler situation has advantageous properties (statistical stationarity in particular) permitting us to uncover the origins of these seismic laws: Both productivity law and Bath's law result from the scale free statistics for event energy and Omori-Utsu law results from the scale-free statistics of inter-event time. This yields predictions on how the associated parameters are related, which were analytically derived. Surprisingly, the so-obtained relations are also compatible with observations on lab scale compressive fracture experiments, suggesting that, in these complex multicracking situations also, the organization into aftershock sequences and associated seismic laws are also ruled by the propagation of individual microcrack fronts, and not by the collective, stress-mediated, microcrack nucleation. Conversely, the relations are not fulfilled in seismology signals, suggesting that

  6. Nanoscale charge localization induced by random orientations of organic molecules in hybrid perovskite CH3NH3PbI3

    Science.gov (United States)

    Ma, Jie; Wang, Lin-Wang

    2015-03-01

    Perovskite-based solar cells have achieved high solar-energy conversion efficiencies and attracted wide attentions nowadays. Despite the rapid progress in solar-cell devices, many fundamental issues of the hybrid perovskites have not been fully understood. Experimentally, it is well known that in CH3NH3PbI3, the organic molecules CH3NH3 are randomly orientated at the room temperature, but the impact of the random molecular orientation has not been investigated. Using linear-scaling ab-initiomethods, we have calculated the electronic structures of the tetragonal phase of CH3NH3PbI3 with randomly orientated organic molecules in large supercells up to ~20,000 atoms. Due to the dipole moment of the organic molecule, the random orientation creates a novel system with long-range potential fluctuations unlike alloys or other conventional disordered systems. We find that the charge densities of the conduction-band minimum and the valence-band maximum are localized separately in nanoscales due to the potential fluctuations. The charge localization causes electron-hole separation and reduces carrier recombination rates, which may contribute to the long carrier lifetime observed in experiments. We have also proposed a model to explain the charge localization.

  7. Ab initio LCAO-MO cluster-type calculation of the self-consistent electronic screening charge density around a single hydrogen impurity in a nickel crystal

    International Nuclear Information System (INIS)

    Simpson, R.W.; Lane, N.F.; Chaney, R.C.

    1978-01-01

    The electronic structure for a Ni atom cluster embedded in bulk Ni by use of a spin-averaged local exchange SCF Ni crystal potential is calculated with an ab initio LCAO-Mo variational method. A single hydrogen impurity is added at the cluster center (fcc octahedral interstitial site) and the electronic structure computed iteratively until the change in electron density from the pure Ni cluster density is self-consistent. The H-Ni 6 self-consistent density change is compared to the charge density around a free hydrogen atom and to the initial-response density change in H-Ni 14 and H-Ni 38 clusters. 14 references

  8. First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

    Science.gov (United States)

    Guster, Bogdan; Canadell, Enric; Pruneda, Miguel; Ordejón, Pablo

    2018-04-01

    We present a density functional theory study of the electronic structure of single-layer TiSe2, and focus on the charge density wave (CDW) instability present on this 2D material. We explain the 2× 2 periodicity of the CDW from the phonon band structure of the undistorted crystal, which is unstable under one of the phonon modes at the M point. This can be understood in terms of a partial band gap opening at the Fermi level, which we describe on the basis of the symmetry of the involved crystal orbitals, leading to an energy gain upon the displacement of the atoms following the phonon mode in a 2  ×  1 structure. Furthermore, the combination of the corresponding phonons for the three inequivalent M points of the Brillouin zone leads to the 2  ×  2 distortion characteristic of the CDW state. This leads to a further opening of a full gap, which reduces the energy of the 2  ×  2 structure compared to the 2  ×  1 one of a single M point phonon, and makes the CDW structure the most stable one. We also analyze the effect of charge injection into the layer on the structural instability. We predict that the 2  ×  2 structure only survives for a certain range of doping levels, both for electrons and for holes, as doping reduces the energy gain due to the gap opening. We predict the transition from the commensurate 2  ×  2 distortion to an incommensurate one with increasing wavelength upon increasing the doping level, followed by the appearance of the undistorted 1  ×  1 structure for larger carrier concentrations.

  9. Self-organized arrays of graphene and few-layer graphene quantum dots in fluorographene matrix: Charge transient spectroscopy

    Science.gov (United States)

    Antonova, Irina V.; Nebogatikova, Nadezhda A.; Prinz, Victor Ya.

    2014-05-01

    Arrays of graphene or few-layer graphene quantum dots (QDs) embedded in a partially fluorinated graphene matrix were created by chemical functionalization of layers. Charge transient spectroscopy employed for investigation of obtained QD systems (size 20-70 nm) has allowed us to examine the QD energy spectra and the time of carrier emission (or charge relaxation) from QDs as a function of film thickness. It was found that the characteristic time of carrier emission from QDs decreased markedly (by about four orders of magnitude) on increasing the QD thickness from one graphene monolayer to 3 nm. Daylight-assisted measurements also demonstrate a strong decrease of the carrier emission time.

  10. How the charge-neutrality level of interface states controls energy level alignment in cathode contacts of organic bulk-heterojunction solar cells.

    Science.gov (United States)

    Guerrero, Antonio; Marchesi, Luís F; Boix, Pablo P; Ruiz-Raga, Sonia; Ripolles-Sanchis, Teresa; Garcia-Belmonte, Germà; Bisquert, Juan

    2012-04-24

    Electronic equilibration at the metal-organic interface, leading to equalization of the Fermi levels, is a key process in organic optoelectronic devices. How the energy levels are set across the interface determines carrier extraction at the contact and also limits the achievable open-circuit voltage under illumination. Here, we report an extensive investigation of the cathode energy equilibration of organic bulk-heterojunction solar cells. We show that the potential to balance the mismatch between the cathode metal and the organic layer Fermi levels is divided into two contributions: spatially extended band bending in the organic bulk and voltage drop at the interface dipole layer caused by a net charge transfer. We scan the operation of the cathode under a varied set of conditions, using metals of different work functions in the range of ∼2 eV, different fullerene acceptors, and several cathode interlayers. The measurements allow us to locate the charge-neutrality level within the interface density of sates and calculate the corresponding dipole layer strength. The dipole layer withstands a large part of the total Fermi level mismatch when the polymer:fullerene blend ratio approaches ∼1:1, producing the practical alignment between the metal Fermi level and the charge-neutrality level. Origin of the interface states is linked with fullerene reduced molecules covering the metal contact. The dipole contribution, and consequently the band bending, is highly sensitive to the nature and amount of fullerene molecules forming the interface density of states. Our analysis provides a detailed picture of the evolution of the potentials in the bulk and the interface of the solar cell when forward voltage is applied or when photogeneration takes place.

  11. The occurrence of single and multiple organ dysfunction in pediatric electrical versus other thermal burns.

    Science.gov (United States)

    Hundeshagen, Gabriel; Wurzer, Paul; Forbes, Abigail A; Voigt, Charles D; Collins, Vanessa N; Cambiaso-Daniel, Janos; Finnerty, Celeste C; Herndon, David N; Branski, Ludwik K

    2017-05-01

    Multiple organ failure (MOF) is a major contributor to morbidity and mortality in burned children. While various complications induced by electrical injuries have been described, the incidence and severity of single organ failure (SOF) and MOF associated with this type of injury are unknown. The study was undertaken to compare the incidence and severity of SOF and MOF as well as other complications between electrically and thermally burned children. Between 2001 and 2016, 288 pediatric patients with electrical burns (EB; n = 96) or thermal burns (CTR; n = 192) were analyzed in this study. Demographic data; length of hospitalization; and number and type of operations, amputations, and complications were statistically analyzed. Incidence of SOF and MOF was assessed using the DENVER2 classification in an additive mixed model over time. Compound scores and organ-specific scores for lung, heart, kidney, and liver were analyzed. Serum cytokine expression profiles of both groups were also compared over time. Significance was accepted at p in age (CTR, 11 ± 5 years, vs EB, 11 ± 5 years), percent total body surface area burned (CTR, 33% ± 25%, vs EB, 32 ± 25%), and length of hospitalization (CTR, 18 ± 26 days, vs EB, 18 ± 21 days). The percentage of high-voltage injury in the EB group was 64%. The incidence of MOF was lower in the EB group (2 of 96 [2.1%]) than the CTR group (20 of 192 [10.4%]; p The incidence of single organ failure was comparable between groups. Incidence of pulmonary failure was comparable in both groups, but incidence of inhalation injury was significantly higher in the CTR group (p in the EB group had more amputations (p the groups. Serum cytokine expression profiles were also comparable between the groups. In pediatric patients, electrical injury is associated with a lower incidence of MOF than other thermal burns. Early and radical debridement of nonviable tissue is crucial to improve outcomes in the electrical burn patient population

  12. Study of Single Event Effects induced by highly energetic charged particles of the space environment in CMOS image Sensors

    International Nuclear Information System (INIS)

    Lalucaa, Valerian

    2013-01-01

    This thesis studies the single event effects of space environment in CMOS image sensors (CIS). This work focuses on the effects of heavy ions on 3T standard photodiode pixels, and 4T and 5T pinned photodiode pixels. The first part describes the space radioactive environment and the sensor architecture. The most harmful events (SEL and SETs) are identified thanks to the scientific literature. The experimentally tested sensors agree with the theoretical work. SETs are compared to STARDUST simulations with a good agreement for all ions and sensors. The work explains why the SETs on 3T pixels are insensitive to the various photodiode designs, and they are decreased when an epitaxial substrate is used. A method using anti-blooming was successfully used in 4T and 5T pixels to prevent the spread of the SETs. The mechanism of latch-up in 4T pixel sensors is described. All the identified mechanisms are very useful to provide hardening methods for the CISs. (author) [fr

  13. Long-Lived Photoinduced Charge Separation in a Trinuclear Iron-μ 3 -oxo-based Metal–Organic Framework

    Energy Technology Data Exchange (ETDEWEB)

    Hanna, Lauren [Department; Kucheryavy, Pavel [Department; Liu, Cunming [X-ray; Zhang, Xiaoyi [X-ray; Lockard, Jenny V. [Department

    2017-06-14

    The presence of long-lived charge-separated excited states in metal-organic frameworks (MOFs) can enhance their photocatalytic activity by decreasing the probability that photogenerated electrons and holes recombine before accessing adsorbed reactants. Detecting these charge separated states via optical transient absorption, however, can be challenging when they lack definitive optical signatures. Here, we investigate the long-lived excited state of a MOF with such vague optical properties, MIL-100(Fe), comprised of Fe3-μ3-oxo clusters and trimesic acid linkers using Fe K-edge X-ray transient absorption (XTA) spectroscopy, to unambiguously determine its ligand-to-metal charge transfer character. Spectra measured at time delays up to 3.6 μs confirm the long lived nature of the charge separated excited state. Several trinuclear iron μ3- oxo carboxylate complexes, which model the trinuclear cores of the MOF structure, are measured for comparison using both steady state XAS and XTA to further support this assignment and corresponding decay time. The MOF is prepared as a colloidal nanoparticle suspension for these measurements so both its fabrication and particle size analysis are presented, as well.

  14. The visualization of large organized chromatin domains enriched in the H3K9me2 mark within a single chromosome in a single cell

    NARCIS (Netherlands)

    Chen, X.; Yammine, S.; Shi, C.; Tark-Dame, M.; Göndör, A.; Ohlsson, R.

    2014-01-01

    Despite considerable efforts, our understanding of the organization of higher order chromatin conformations in single cells and how these relate to chromatin marks remains poor. We have earlier invented the Chromatin In Situ Proximity (ChrISP) technique to determine proximities between chromatin

  15. Metal–Organic Frameworks as Platforms for the Controlled Nanostructuring of Single-Molecule Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Aulakh, Darpandeep; Pyser, Joshua B.; Zhang, Xuan; Yakovenko, Andrey A.; Dunbar, Kim R.; Wriedt, Mario

    2015-07-29

    The prototypical SMM molecule [Mn12O12(O2CCH3)16(OH2)4] was incorporated under mild conditions into a highly porous metal-organic framework (MOF) matrix as a proof of principle for controlled nanostructuring of SMMs. Four independent experiments revealed that the SMM clusters were successfully loaded in the MOF pores, namely synchrotron-based powder diffraction, physisorption analysis, and in-depth magnetic and thermal analyses. The results provide incontrovertible evidence that the magnetic composite, SMM@MOF, combines key SMM properties with the functional properties of MOFs. Most importantly, the incorporated SMMs exhibit a significant enhanced thermal stability with SMM loading advantageously occurring at the periphery of the bulk MOF crystals with only a single SMM molecule isolated in the transverse direction of the pores.

  16. Single-reactor process for producing liquid-phase organic compounds from biomass

    Science.gov (United States)

    Dumesic, James A [Verona, WI; Simonetti, Dante A [Middleton, WI; Kunkes, Edward L [Madison, WI

    2011-12-13

    Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

  17. Application of single cell gel electrophoresis in post-evaluation of organism radiation damage

    International Nuclear Information System (INIS)

    Jiang Lin; Mu Wanjun; Liu Guoping; Xu Yunshu; Luo Shunzhong; Gao Qingxiang

    2009-01-01

    The transient irradiation-caused DNA damage in the human peripheral blood lymphocytes,mouse peripheral blood lymphocytes and alive mouse irradiated by α-ray and γ-ray was investigated, and the single cell gel electrophoresis(SCGE, Comet Assay) was used to detect the extent of DNA damage. On this basis, the dose-effect curve and the evaluating method for radiant after-effect were established, the absorbed dose of alive mouse A irradiated by γ-rays was computed. The results indicate that not only the dose-effect can be described by using SCGE, but also the dose-computed after organism irradiated by radiant rays is achieved with it, and SCGE may be used as a new biological dosimeter. (authors)

  18. Application of single cell gel electrophoresis in post-evaluation of organism radiation damage

    International Nuclear Information System (INIS)

    Jiang Lin; Mu Wanjun; Liu Guoping; Xu Yunshu; Gao Qingxiang

    2007-01-01

    The immediate irradiation-caused DNA damage in the human Peripheral Blood Lymphocytes, mouse Peripheral Blood Lymphocytes and alive mouse irradiated by α-Rays and γ-rays was investigated, and the single cell gel electrophoresis(SCGE, Comet Assay) was used to detect the extent of DNA damage. On this base, the dose-effect curve and the evaluating method for radiant aftereffect were established, the absorbed does of alive mouse A irradiated by γ-rays was computed. The results indicated that not only the does-effect could be described by using SCGE, but also the does-computed after organism irradiated by radiant rays was achieved with it, and SCGE might be used as a new biological dosimeter. (authors)

  19. Fabrication and phase modulation in organic single-crystalline configurationally locked, phenolic polyene OH1 waveguides.

    Science.gov (United States)

    Hunziker, Christoph; Kwon, Seong-Ji; Figi, Harry; Jazbinsek, Mojca; Günter, Peter

    2008-09-29

    A novel and promising technique for the fabrication of electro-optically active single crystalline organic waveguides from 2-{3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene}malononitrile (OH1) is presented. OH1 is an interesting material for photonic applications due to the large electro-optic coefficients (r333 = 109+/-4 pm/V at 632.8 nm) combined with a relatively high crystal symmetry (orthorhombic with point group mm2). Due to the very favorable growth characteristics, large-area (> 150 mm(2)) single crystalline thin films with very good optical quality and thickness between 0.05-10 microm have been grown on amorphous glass substrates. We have developed and optimized optical lithography and reactive ion etching processes for the fabrication of wire optical waveguides with dimensions of w x h = 3.4 x 3.5 microm(2) and above. The technique is capable of producing low loss integrated optical waveguides having propagation losses of 2 dB/cm with a high refractive index contrast between core-cladding and core-substrate of delta n = 1.23 and 0.72, respectively at 980 nm. Electro-optic phase modulation in these waveguides has been demonstrated at 632.8 nm and 852 nm. Calculations show that with an optimized electrode configuration the half-wave voltage x length product V(pi) x L can be reduced from 8.4 Vcm, as obtained in our device, to 0.3 Vcm in the optimized case. This allows for the fabrication of sub-1 V half-wave voltage, organic electro-optic modulators with highly stable chromophore orientation.

  20. Structural, thermal and optical characterization of an organic NLO material—Benzaldehyde thiosemicarbazone monohydrate single crystals

    Science.gov (United States)

    Santhakumari, R.; Ramamurthi, K.

    2011-02-01

    Single crystals of the organic NLO material, benzaldehyde thiosemicarbazone (BTSC) monohydrate, were grown by slow evaporation method. Solubility of BTSC monohydrate was determined in ethanol at different temperatures. The grown crystals were characterized by single crystal X-ray diffraction analysis to determine the cell parameters and by FT-IR technique to study the presence of the functional groups. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. UV-vis-NIR spectrum shows excellent transmission in the region of 200-1100 nm. Theoretical calculations were carried out to determine the linear optical constants such as extinction coefficient and refractive index. Further the optical nonlinearities of BTSC have been investigated by Z-scan technique with He-Ne laser radiation of wavelength 632.8 nm. Mechanical properties of the grown crystal were studied using Vickers microhardness tester. Second harmonic generation efficiency of the powdered BTSC monohydrate was tested using Nd:YAG laser and it is found to be ˜5.3 times that of potassium dihydrogen orthophosphate.

  1. Enhanced efficiency in single-host white organic light-emitting diode by triplet exciton conversion

    International Nuclear Information System (INIS)

    Wu, Qingyang; Zhang, Shiming; Yue, Shouzhen; Zhang, Zhensong; Xie, Guohua; Zhao, Yi; Liu, Shiyong

    2013-01-01

    The authors observe that the external quantum efficiency (EQE) of the Iridium (III) bis(4-phenylthieno [3,2-c]pyridinato-N,C 2′ )acetylacetonate (PO-01) based yellow organic light-emitting diode (OLED) is significantly increased by uniformly co-doping Iridium (III)bis[(4,6-difluorophenyl)-pyridinato-N,C 2− ] (FIrpic) and PO-01 into the same wide band-gap host of N,N ′ -dicarbazolyl-3, 5-benzene (mCP). Detailed investigation indicates that the efficiency enhancement is ascribed to effective triplet exciton gathering by FIrpic, followed by energy transfer to PO-01. Compared to the control device, which has maximum EQE of 10.5%, an improved maximum EQE of 13.2% is obtained in the optimization white device based on FIrpic and PO-01 emission according to this principle. This work makes it easier for a single host white OLED to simultaneously harvest high efficiency in both blue and yellow units. Comprehensive experimental results show that this phenomenon can also be found and utilized in other popular hosts to realize more efficient white devices. -- Highlights: • This work makes easier for a single host white OLED to harvest high efficiency in both blue and yellow units. • Efficiency enhancement is ascribed to effective triplet exciton gathering by FIrpic, followed by energy transfer to PO-01. • This phenomenon can also be found and utilized in other popular hosts to realize more efficient white devices

  2. Low-Voltage Organic Single-Crystal Field-Effect Transistor with Steep Subthreshold Slope.

    Science.gov (United States)

    Yang, Fangxu; Sun, Lingjie; Han, Jiangli; Li, Baili; Yu, Xi; Zhang, Xiaotao; Ren, Xiaochen; Hu, Wenping

    2018-03-06

    Anodization is a promising technique to form high- k dielectrics for low-power organic field-effect transistor (OFET) applications. However, the surface quality of the dielectric, which is mainly inherited from the metal electrode, can be improved further than other fabrication techniques, such as sol-gel. In this study, we applied the template stripping method to fabricate a low-power single-crystalline OFET based on the anodized AlO x dielectric. We found that the template stripping method largely improves the surface roughness of the deposited Al and allows for the formation of a high-quality AlO x high- k dielectric by anodization. The ultraflat AlO x /SAM dielectric combined with a single-crystal 2,6-diphenylanthracene (DPA) semiconductor produced a nearly defect-free interface with a steep subthreshold swing (SS) of 66 mV/decade. The current device is a promising candidate for future ultralow-power applications. Other than metal deposition, template stripping could provide a general approach to improve thin-film quality for many other types of materials and processes.

  3. Long-Term Experience With World Health Organization Grade III (Malignant) Meningiomas at a Single Institution

    International Nuclear Information System (INIS)

    Rosenberg, Lewis A.; Prayson, Richard A.; Lee, Joung; Reddy, Chandana; Chao, Samuel T.; Barnett, Gene H.; Vogelbaum, Michael A.; Suh, John H.

    2009-01-01

    Purpose: To evaluate the outcomes for patients with Grade III meningiomas as defined by the 2007 World Health Organization standards. Methods and Materials: The slides from patients who had been treated at the Cleveland Clinic for malignant meningiomas were reviewed by a single neuropathologist. The data from 13 patients treated between 1984 and 2006 satisfied the World Health Organization 2007 definition of Grade III meningioma. A total of 24 surgeries were performed, including 13 primary, 7 salvage, and 4 second salvage. Also, 14 courses of radiotherapy (RT) were administered, including fractionated RT in 3 patients after primary surgery, fractionated RT in 4 patients after salvage surgery, salvage stereotactic radiosurgery to six separate areas in 3 patients, and salvage intensity-modulated RT in 1 patient. Results: From the primary surgery, the median survival was 3.4 years, the 5-year survival rate was 47.2%, and the 8-year survival rate was 12.2%. The median time to recurrence was 9.6 months. A trend was seen toward longer survival for patients who had received adjuvant RT after initial surgery compared with those treated with surgery alone. Two patients developed radiation necrosis, and three had surgical complications. Conclusion: This is one of the few studies reporting the outcomes for malignant meningioma patients according to recent definitions. Our results are consistent with existing reports of the overall poor outcomes for atypical and malignant meningioma patients. From the available data, surgical resection followed by RT and salvage therapy can lead to extended survival.

  4. Stability of an anaerobic single reactor filled with dolomitic limestone with increased organic load of sugarcane

    Directory of Open Access Journals (Sweden)

    Maria Magdalena Ribas Döll

    2017-12-01

    Full Text Available The anaerobic single-stage reactor was evaluated to treat vinasse and to evaluate its stability. This bench reactor was filled with dolomitic limestone with a horizontal plug flow to simulate a drainage channel. The experiment lasted 129 days while the reactor was submitted to different applied organic concentrations (chronologically applied: 3.0; 5.0; 12.0; 9.0 and 7.5 g L-1 as COD, chemical oxygen demand. COD removals were 50% and 9% with 3.0 and 7.5 g L-1, respectively. With 12.0 g L-1, reactor efficiency increased to 33%, with an abrupt drop to 3% on the 84th day. Therefore, in order to avoid reactor collapse, a remedial measure was necessary. The system remained in batch without feeding for 19 days (from the 85th to the 104th day with 9.0 g L-1. Afterwards, it was observed that the performance of the system tended to stabilize, reaching 47% with 7.5 g L-1 in the 118th day. At the end of the experiment, the potassium content of the wastewater decreased from 800 mg L-1 to 594 mg L-1 (on an average 25% and calcium and magnesium increased within the reactor liquor. The dissolution of the limestone inside the liquor reactor probably caused this result. After the treatment with limestone, the average pH value of the effluent increased from 4.9 to over 6.0 in all organic concentrations. It could be concluded that the reactor filled with dolomitic limestone in these operational conditions assured a low efficiency in COD removal, potassium reduction, increasing values of pH, alkalinity, calcium and magnesium. The instability was observed when there was increase in organic load to 12 g L-1 with subsequent recovery.

  5. Grafted organic monolayer for single electron transport and for quantum dots solar cells

    Science.gov (United States)

    Caillard, Louis Marie

    Functionalization of oxide-free silicon and silicon oxide surfaces is important for a number of applications. In this work, organic monolayers are grafted (GOM) on oxide-free silicon surfaces using thermal and ultraviolet-activated hydrosilylation of hydrogen-terminated silicon surfaces, primarily using Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy for characterization. The resulting amine-terminated GOM have been used for depositing nanoparticles, selecting the end group for two very specific applications: single electron devices and nano-quantum-dot (NQD) enhanced Si photovoltaic cells. To perform single-electron transport measurements, colloidal gold nanoparticles have been deposited on amine-functionalized silicon surfaces and tunneling measurements performed with a scanning tunneling microscope in an ultra-high vacuum chamber. Using a double-barrier tunneling junction (with the GOM as the first barrier and the vacuum between the scanning tip and the gold nanoparticle as the second one), single-electron transport was observed at 30K through a Coulomb staircase phenomenon. The critical parameters were identified to improve reproducibility. Finally, recently developed advanced modeling, based on traditional "orthodox" theory, was optimized to account for the observations (e.g. I-V dependence on band bending). This work provides a basis for the development of single-electron transistors that are compatible with current silicon based technology. To enhance standard silicon-based solar cells, GOM is also needed to graft strongly absorbing II-VI NQDs and optimize their energy transfer to the silicon substrate. Recent photoluminescence spectroscopy has demonstrated that energy transfer occurs through both radiative and non-radiative mechanisms between NQDs and the substrate. With grafting technology, the aim was to optimize absorption, as probed by photoluminescence, in two ways. First, silicon nanopillars were fabricated to increase the

  6. Challenges for single molecule electronic devices with nanographene and organic molecules. Do single molecules offer potential as elements of electronic devices in the next generation?

    Science.gov (United States)

    Enoki, Toshiaki; Kiguchi, Manabu

    2018-03-01

    Interest in utilizing organic molecules to fabricate electronic materials has existed ever since organic (molecular) semiconductors were first discovered in the 1950s. Since then, scientists have devoted serious effort to the creation of various molecule-based electronic systems, such as molecular metals and molecular superconductors. Single-molecule electronics and the associated basic science have emerged over the past two decades and provided hope for the development of highly integrated molecule-based electronic devices in the future (after the Si-based technology era has ended). Here, nanographenes (nano-sized graphene) with atomically precise structures are among the most promising molecules that can be utilized for electronic/spintronic devices. To manipulate single small molecules for an electronic device, a single molecular junction has been developed. It is a powerful tool that allows even small molecules to be utilized. External electric, magnetic, chemical, and mechanical perturbations can change the physical and chemical properties of molecules in a way that is different from bulk materials. Therefore, the various functionalities of molecules, along with changes induced by external perturbations, allows us to create electronic devices that we cannot create using current top-down Si-based technology. Future challenges that involve the incorporation of condensed matter physics, quantum chemistry calculations, organic synthetic chemistry, and electronic device engineering are expected to open a new era in single-molecule device electronic technology.

  7. “Wine-Dark Sea” in an Organic Flow Battery: Storing Negative Charge in 2,1,3-Benzothiadiazole Radicals Leads to Improved Cyclability

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Wentao [Joint Center for Energy Storage Research, Argonne, IL (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Huang, Jinhua [Joint Center for Energy Storage Research, Argonne, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Kowalski, Jeffrey A. [Joint Center for Energy Storage Research, Argonne, IL (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Shkrob, Ilya A. [Joint Center for Energy Storage Research, Argonne, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Vijayakumar, M. [Joint Center for Energy Storage Research, Argonne, IL (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Walter, Eric [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pan, Baofei [Joint Center for Energy Storage Research, Argonne, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Yang, Zheng [Joint Center for Energy Storage Research, Argonne, IL (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Milshtein, Jarrod D. [Joint Center for Energy Storage Research, Argonne, IL (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Li, Bin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Liao, Chen [Joint Center for Energy Storage Research, Argonne, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Zhang, Zhengcheng [Joint Center for Energy Storage Research, Argonne, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Wang, Wei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Liu, Jun [Joint Center for Energy Storage Research, Argonne, IL (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Moore, Jeffery S. [Joint Center for Energy Storage Research, Argonne, IL (United States); Univ. of Illinois Urbana-Champaign, Urbana, IL (United States); Brushett, Fikile R. [Joint Center for Energy Storage Research, Argonne, IL (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Zhang, Lu [Joint Center for Energy Storage Research, Argonne, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Wei, Xiaoliang [Joint Center for Energy Storage Research, Argonne, IL (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-04-24

    Redox-active organic materials (ROMs) have shown great promise for redox flow battery applications but generally encounter limited cycling efficiency and stability at relevant redox material concentrations in nonaqueous systems. Here we report a new heterocyclic organic anolyte molecule, 2,1,3-benzothiadiazole, that has high solubility, a low redox potential, and fast electrochemical kinetics. Coupling it with a benchmark catholyte ROM, the nonaqueous organic flow battery demonstrated significant improvement in cyclable redox material concentrations and cell efficiencies compared to the state-of-the-art nonaqueous systems. Especially, this system produced exceeding cyclability with relatively stable efficiencies and capacities at high ROM concentrations (>0.5 M), which is ascribed to the highly delocalized charge densities in the radical anions of 2,1,3-benzothiadiazole, leading to good chemical stability. As a result, this material development represents significant progress toward promising next-generation energy storage.

  8. OPE3 : A model system for single-molecule transport

    NARCIS (Netherlands)

    Frisenda, R.

    2016-01-01

    In this dissertation, charge-transport through individual organic molecules is investigated. The single molecules are contacted with two-terminal mechanically controllable break junction gold electrodes and their electrical and mechanical behavior studied at room and low temperature.

  9. Novel electronic ferroelectricity in an organic charge-order insulator investigated with terahertz-pump optical-probe spectroscopy

    Science.gov (United States)

    Yamakawa, H.; Miyamoto, T.; Morimoto, T.; Yada, H.; Kinoshita, Y.; Sotome, M.; Kida, N.; Yamamoto, K.; Iwano, K.; Matsumoto, Y.; Watanabe, S.; Shimoi, Y.; Suda, M.; Yamamoto, H. M.; Mori, H.; Okamoto, H.

    2016-01-01

    In electronic-type ferroelectrics, where dipole moments produced by the variations of electron configurations are aligned, the polarization is expected to be rapidly controlled by electric fields. Such a feature can be used for high-speed electric-switching and memory devices. Electronic-type ferroelectrics include charge degrees of freedom, so that they are sometimes conductive, complicating dielectric measurements. This makes difficult the exploration of electronic-type ferroelectrics and the understanding of their ferroelectric nature. Here, we show unambiguous evidence for electronic ferroelectricity in the charge-order (CO) phase of a prototypical ET-based molecular compound, α-(ET)2I3 (ET:bis(ethylenedithio)tetrathiafulvalene), using a terahertz pulse as an external electric field. Terahertz-pump second-harmonic-generation(SHG)-probe and optical-reflectivity-probe spectroscopy reveal that the ferroelectric polarization originates from intermolecular charge transfers and is inclined 27° from the horizontal CO stripe. These features are qualitatively reproduced by the density-functional-theory calculation. After sub-picosecond polarization modulation by terahertz fields, prominent oscillations appear in the reflectivity but not in the SHG-probe results, suggesting that the CO is coupled with molecular displacements, while the ferroelectricity is electronic in nature. The results presented here demonstrate that terahertz-pump optical-probe spectroscopy is a powerful tool not only for rapidly controlling polarizations, but also for clarifying the mechanisms of ferroelectricity. PMID:26864779

  10. A triphenylamine-based push-pull – σ – C60 dyad as photoactive molecular material for single-component organic solar cells: synthesis, characterizations and photophysical properties

    KAUST Repository

    Labrunie, Antoine

    2018-04-23

    A push-pull – σ – C60 molecular dyad was synthesized via Huisgen-type click-chemistry and used as photoactive material for single-component organic solar cells. Steady-state photoluminescence (PL) experiments of the dyad in solution show a significant quenching of the emission of the push-pull moiety. Spin-casting of a solution of the dyad results in homogenous and smooth thin-films, which exhibit complete PL quenching in line with ultrafast photo-induced electron-transfer in the solid-state. Spectro-electrochemistry reveals the optical signatures of radical cations and radical anions. Evaluation of the charge carrier mobility by space-charge limited current measurements gives an electron-mobility of μe = 4.3 × 10-4 cm2 V-1 s-1, ca. 50 times higher than the hole-mobility. Single-component organic solar cells yield an open-circuit voltage Voc of 0.73 V and a short-circuit current density of 2.1 mA cm-2 however, a poor fill-factor FF (29%) is obtained, resulting in low power conversion efficiency of only 0.4%. Combined TA and time-delayed collection field (TDCF) experiments show mostly ultrafast photon-to-charge conversion and a small component of diffusion-limited exciton dissociation, revealing the presence of pure fullerene domains. Furthermore, a strong field dependence of charge generation is observed, governing the device fill factor, which is further reduced by a competition between extraction and fast recombination of separated charges.

  11. The Impact of Molecular p-Doping on Charge Transport in High-Mobility Small-Molecule/Polymer Blend Organic Transistors

    KAUST Repository

    Paterson, Alexandra F.

    2017-12-27

    Molecular doping is a powerful tool with the potential to resolve many of the issues currently preventing organic thin-film transistor (OTFT) commercialization. However, the addition of dopant molecules into organic semiconductors often disrupts the host lattice, introducing defects and harming electrical transport. New dopant-based systems that overcome practical utilization issues, while still reaping the electrical performance benefits, would therefore be extremely valuable. Here, the impact of p-doping on the charge transport in blends consisting of the small-molecule 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT), the polymer indacenodithiophene-benzothiadiazole (C16IDT-BT), and the molecular dopant C60F48 is investigated. Electrical field-effect measurements indicate that p-doping not only enhances the average saturation mobility from 1.4 to 7.8 cm2 V−1 s−1 over 50 devices (maximum values from around 4 to 13 cm2 V−1 s−1), but also improves bias–stress stability, contact resistance, threshold voltage, and the overall device-to-device performance variation. Importantly, materials characterization using X-ray diffraction, X-ray photoemission spectroscopy, and ultraviolet photoemission spectroscopy, combined with charge transport modeling, reveal that effective doping is achieved without perturbing the microstructure of the polycrystalline semiconductor film. This work highlights the remarkable potential of ternary organic blends as a simple platform for OTFTs to achieve all the benefits of doping, with none of the drawbacks.

  12. Clostridium difficile infection, a descriptive analysis of solid organ transplant recipients at a single center.

    Science.gov (United States)

    Tsapepas, Demetra S; Martin, Spencer T; Miao, Jennifer; Shah, Shreya A; Scheffert, Jenna; Fester, Keith; Ma, Karlene; Lat, Asma; Egan, Ron; McKeen, Jaclyn T

    2015-04-01

    Clostridium difficile is a bacterial enteric pathogen, which causes clinical disease among solid organ transplant (SOT) recipients. This large, single-center, retrospective study describes incidence, demographics, and impact of C. difficile infection (CDI) among adult SOT recipients, cardiac (n=5), lung (n=14), liver (n=9), renal (n=26), and multiorgan (n=9) patients transplanted and diagnosed with CDI (geneB PCR) between 9/2009 and 12/2012. The overall incidence of CDI in our population during the 40-month period of study was 4%. CDI incidence among cardiac, lung, liver, and renal transplant recipients was 1.9%, 7%, 2.7%, and 3.2%, respectively (P=0.03 between organ-types). Median time from transplant to CDI for all was 51 (14-249) days, with liver recipients having the shortest time to infection, median 36 (15-101) days, and lung recipients having a longer time to infection, median 136 (29-611) days. Antibiotic exposure within 3 months of CDI was evident in 45 of the 63 (71%) patients in this study, 80%, 79%, 100%, 58%, and 67% of cardiac, lung, liver, renal, and multiorgan transplant recipients, respectively. Most patients (83%) were hospitalized within the 3 months preceding CDI. Recipients were followed for a median time of 23 (16-31) months; at the time of last follow-up, 83% of allografts were functioning, and 86% of patients were alive. One death and 1 graft failure were causally related to CDI. CDI had an overall incidence of 4%; clinicians should have heightened awareness for CDI, especially among patients receiving antibiotics, with increased monitoring and aggressive management of CDI. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. Organic Metals. Mono- and 2,5-Di-substituted 7,7,8,8-Tetracyano-p-quinodimethanes and Conductivities of their Charge-Transfer Complexes

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Jørgensen, Ole

    1979-01-01

    procedures utilizing multiple recrystallizations from CH3CN, followed by gradient sublimation, yield high quality materials for the preparation of conducting organic charge-transfer complexes based on these acceptors. Field-ionization mass spectrometry was found to be a convenient means of monitoring...... the impurity contents during purification. Roomtemperature conductivity data for selected donor–acceptor combinations are reported, together with the electrochemical reduction potentials of the acceptors. The latter indicate that these have slightly poorer electron-accepting properties than unsubstituted TCNQ....

  14. Photoinduced Change in the Charge Order Pattern in the Quarter-Filled Organic Conductor (EDO-TTF)2PF6 with a Strong Electron-Phonon Interaction

    Science.gov (United States)

    Onda, Ken; Ogihara, Sho; Yonemitsu, Kenji; Maeshima, Nobuya; Ishikawa, Tadahiko; Okimoto, Yoichi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi; Koshihara, Shin-Ya

    2008-08-01

    The quasistable state in the photoinduced phase transition for the quasi-one-dimensional quarter-filled organic conductor (EDO-TTF)2PF6 has been examined by ultrafast reflective measurements and time-dependent model calculations incorporating both electron-electron and electron-phonon interactions. The transient optical conductivity spectrum over a wide probe photon-energy range revealed that photoexcitation induced a new type of charge-disproportionate state. Additionally, coherent and incoherent oscillations dependent on probe photon energies were found, as predicted by the calculation.

  15. Injection-modulated polarity conversion by charge carrier density control via a self-assembled monolayer for all-solution-processed organic field-effect transistors

    Science.gov (United States)

    Roh, Jeongkyun; Lee, Taesoo; Kang, Chan-Mo; Kwak, Jeonghun; Lang, Philippe; Horowitz, Gilles; Kim, Hyeok; Lee, Changhee

    2017-04-01

    We demonstrated modulation of charge carrier densities in all-solution-processed organic field-effect transistors (OFETs) by modifying the injection properties with self-assembled monolayers (SAMs). The all-solution-processed OFETs based on an n-type polymer with inkjet-printed Ag electrodes were fabricated as a test platform, and the injection properties were modified by the SAMs. Two types of SAMs with different dipole direction, thiophenol (TP) and pentafluorobenzene thiol (PFBT) were employed, modifying the work function of the inkjet-printed Ag (4.9 eV) to 4.66 eV and 5.24 eV with TP and PFBT treatments, respectively. The charge carrier densities were controlled by the SAM treatment in both dominant and non-dominant carrier-channel regimes. This work demonstrates that control of the charge carrier densities can be efficiently achieved by modifying the injection property with SAM treatment; thus, this approach can achieve polarity conversion of the OFETs.

  16. Integration of Plasmonic Effects and Schottky Junctions into Metal-Organic Framework Composites: Steering Charge Flow for Enhanced Visible-Light Photocatalysis.

    Science.gov (United States)

    Xiao, Juan-Ding; Han, Lili; Luo, Jun; Yu, Shu-Hong; Jiang, Hai-Long

    2018-01-22

    A wide range of light absorption and rapid electron-hole separation are desired for efficient photocatalysis. Herein, on the basis of a semiconductor-like metal-organic framework (MOF), a Pt@MOF/Au catalyst with two types of metal-MOF interfaces integrates the surface plasmon resonance excitation of Au nanorods with a Pt-MOF Schottky junction, which not only extends the light absorption of the MOF from the UV to the visible region but also greatly accelerates charge transfer. The spatial separation of Pt and Au particles by the MOF further steers the formation of charge flow and expedites the charge migration. As a result, the Pt@MOF/Au presents an exceptionally high photocatalytic H 2 production rate by water splitting under visible light irradiation, far superior to Pt/MOF/Au, MOF/Au and other counterparts with similar Pt or Au contents, highlighting the important role of each component and the Pt location in the catalyst. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Rational design of organoboron derivatives as chemosensors for fluoride and cyanide anions and charge transport and luminescent materials for organic light-emitting diodes.

    Science.gov (United States)

    Jin, Ruifa; Tang, Shanshan; Luo, Dongmei

    2014-03-01

    The interactions between chemosensors, donor-π-acceptor (D-π-A) dipolar organoboron derivatives, and different (CN⁻, F⁻, Cl⁻, and Br⁻) anions have been theoretically investigated using DFT approaches. Theoretical investigations have been performed to explore the optical, electronic, charge transport, and stability properties of organoboron derivatives as charge transport and luminescent materials for organic light emitting devices (OLEDs). It turned out that the unique selectivity of organoboron derivatives for F⁻/CN⁻ is ascribed to the formation of chemosensors complexes. The frontier molecular orbitals (FMOs) and local density of states analysis have turned out that the vertical electronic transitions of absorption and emission for chemosensors and their F⁻/CN⁻ complexes are characterized as intramolecular charge transfer (ICT). The formation of complexes has effect on the distribution of FMOs and the flowing direction of electronic density for vertical transition. The study of substituent effects suggests that the derivatives with thiophene (2), furan (3), and 1H-pyrrole (4) fragments, are expected to be promising candidates for ratiometric fluorescent fluoride and cyanide chemosensors as well as chromogenic chemosensors, whereas derivatives with pyridine (5) and pyrimidine (6) fragments can serve as chromogenic chemosensors only. Furthermore, all the derivatives are promising luminescent and hole transport materials and 2, 3, 5, and 6 can serve as electron transport materials for OLEDs.

  18. On the methodology of the determination of charge concentration dependent mobility from organic field-effect transistor characteristics

    Czech Academy of Sciences Publication Activity Database

    Menšík, Miroslav; Toman, Petr; Bielecka, U.; Bartkowiak, W.; Pfleger, Jiří; Paruzel, Bartosz

    2018-01-01

    Roč. 20, č. 4 (2018), s. 2308-2319 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA15-05095S; GA MŠk(CZ) LTC17029 EU Projects: European Commission(XE) MPNS COST Action MP1406 Institutional support: RVO:61389013 Keywords : field effect transistor * charge carrier mobility * conjugated polymer Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.123, year: 2016

  19. Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)

    2011-09-15

    Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

  20. Dimer self-organization of impurity ytterbium ions in synthetic forsterite single crystals

    Science.gov (United States)

    Tarasov, V. F.; Sukhanov, A. A.; Dudnikova, V. B.; Zharikov, E. V.; Lis, D. A.; Subbotin, K. A.

    2017-07-01

    Paramagnetic centers formed by impurity Yb3+ ions in synthetic forsterite (Mg2SiO4) grown by the Czochralski technique are studied by X-band CW and pulsed EPR spectroscopy. These centers are single ions substituting magnesium in two different crystallographic positions denoted M1 and M2, and dimer associates formed by two Yb3+ ions in nearby positions M1. It is established that there is a pronounced mechanism favoring self-organization of ytterbium ions in dimer associates during the crystal growth, and the mechanism of the spin-spin coupling between ytterbium ions in the associate has predominantly a dipole-dipole character, which makes it possible to control the energy of the spin-spin interaction by changing the orientation of the external magnetic field. The structural computer simulation of cluster ytterbium centers in forsterite crystals is carried out by the method of interatomic potentials using the GULP 4.0.1 code (General Utility Lattice Program). It is established that the formation of dimer associates in the form of a chain parallel to the crystallographic axis consisting of two ytterbium ions with a magnesium vacancy between them is the most energetically favorable for ytterbium ions substituting magnesium in the position M1.

  1. Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

    KAUST Repository

    Chen, Chen

    2017-12-20

    We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (DMA) and 5,10,15,20-tetrakis(4-aminophenyl) porphyrin (TAPP) onto a Au(111) surface in ultrahigh vacuum followed by annealing to facilitate Schiff-base condensations between monomers. Scanning tunneling spectroscopy (STS) experiments conducted on isolated TAPP precursor molecules and the covalently linked COF networks yield similar transport (HOMO-LUMO) gaps of 1.85 ± 0.05 eV and 1.98 ± 0.04 eV, respectively. The COF orbital energy alignment, however, undergoes a significant downward shift compared to isolated TAPP molecules due to the electron-withdrawing nature of the imine bond formed during COF synthesis. Direct imaging of the COF local density of states (LDOS) via dI/dV mapping reveals that the COF HOMO and LUMO states are localized mainly on the porphyrin cores and that the HOMO displays reduced symmetry. DFT calculations reproduce the imine-induced negative shift in orbital energies and reveal that the origin of the reduced COF wave function symmetry is a saddle-like structure adopted by the porphyrin macrocycle due to its interactions with the Au(111) substrate.

  2. Dynamical mechanism of charge separation by photoexcited generation of proton–electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Kentaro, E-mail: kyamamoto@fukui.kyoto-u.ac.jp; Takatsuka, Kazuo, E-mail: kaztak@fukui.kyoto-u.ac.jp

    2016-08-22

    Graphical abstract: Asymptotic biradical state produced by the excited-state coupled proton–electron transfer (CPET), resulting in charge separation (proton–electron pair creation) on a proton–electron acceptor A, in a series of photochemical systems generally denoted as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole, or ammonia clusters). - Abstract: In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton–electron pair creation) relevant to the photoinduced water-splitting reaction (2H{sub 2}O → 4H{sup +} + 4e{sup −} + O{sub 2}) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton

  3. Charge trapping and storage by composite P3HT/PC60BM nanoparticles investigated by fluorescence-voltage/single particle spectroscopy.

    Science.gov (United States)

    Hu, Zhongjian; Gesquiere, Andre J

    2011-12-28

    Fluorescence-voltage/single particle spectroscopy (F-V/SPS) was employed to study exciton-hole polaron interactions and interfacial charge transfer processes for pure poly(3-hexylthiophene) (P3HT) nanoparticles (NPs) and composite P3HT/PC(60)BM NPs in functioning hole-injection devices. F-V/SPS data collected on a particle-by-particle basis reveal an apparent bistability in the fluorescence-voltage modulation curves for composite NPs of P3HT and [6,6]-phenyl-C(61)-butyric acid methyl ester (PC(60)BM) that is absent for pure P3HT NPs. A pronounced deep trapping of free electrons photogenerated from the composite P3HT/PC(60)BM NPs at the NP/dielectric interface and hole trapping by fullerene anions in composite P3HT/PC(60)BM NPs under photoexcitation lies at the basis of this finding. The deep electron trapping effect reported here for composite conjugated polymer/fullerene NPs presents an opportunity for future application of these NPs in nanoscale memory and imaging devices. © 2011 American Chemical Society

  4. Optical and charge transport properties of N-butyl-1,8-naphthalimide derivatives as organic light-emitting materials: A theoretical study

    International Nuclear Information System (INIS)

    Sun, Fuyu; Jin, Ruifa

    2014-01-01

    A series of N-butyl-1,8-naphthalimide derivatives have been designed to explore their optical, electronic, and charge transport properties as charge transport and/or luminescent materials for organic light-emitting diodes (OLEDs). The frontier molecular orbitals (FMOs) analysis has turned out that the vertical electronic transitions of absorption and emission are characterized as intramolecular charge transfer (ICT). The calculated results show that the optical and electronic properties of N-butyl-1,8-naphthalimide derivatives are affected by the substituent groups in 4-position of 1,8-naphthalimide ring. Our results suggest that N-butyl-1,8-naphthalimide derivatives with biphenyl (1), 2-phenylthiophene (2), 2-(thiophen-2-yl)thiophene (3), 2,3-dihydrothieno[3,4-b][1,4]dioxine (4), 2-phenyl-1,3,4-oxadiazole (5), benzo[c][1,2,5]thiadiazole (6), benzo[c]thiophene (7), and benzo[d]thieno[3,2-b]thiophene (8) fragments are expected to be promising candidates for luminescent materials for OLEDs, particularly for 1–3 and 5. In addition, 7 and 8 can be used as promising hole transport materials for OLEDs. - Highlights: • A series of N-butyl-1,8-naphthalimide derivatives is investigated. • Optical and electronic properties are affected by their substituent groups. • The vertical electronic transitions are characterized as intramolecular charge transfer. • All derivatives are promising luminescent materials for OLEDs. • Some derivatives can be used as promising hole transport materials for OLEDs

  5. Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell

    International Nuclear Information System (INIS)

    Shimazaki, Tomomi; Nakajima, Takahito

    2016-01-01

    This paper discusses the exciton dissociation process at the donor–acceptor interface in organic photocells. In our previous study, we introduced a local temperature to handle the hot charge-transfer (CT) state and calculated the exciton dissociation probability based on the 1D organic semiconductor model [T. Shimazaki and T. Nakajima, Phys. Chem. Chem. Phys. 17, 12538 (2015)]. Although the hot CT state plays an essential role in exciton dissociations, the probabilities calculated are not high enough to efficiently separate bound electron–hole pairs. This paper focuses on the dimensional (entropy) effect together with the hot CT state effect and shows that cooperative behavior between both effects can improve the exciton dissociation process. In addition, we discuss cooperative effects with site-disorders and external-electric-fields.

  6. Polymorphism in the organic charge-transfer complex dibenzotetrathiafulvalene-7,7,8,8-tetracyanoquinodimethane (DBTTF-TCNQ) and its effect on optical and electrical properties (Presentation Recording)

    Science.gov (United States)

    Goetz, Katelyn P.; Tsutsumi, Jun ya; Pookpanratana, Sujitra; Chen, Jihua; Hasegawa, Tatsuo; Jurchescu, Oana D.

    2015-10-01

    We present the structural, optical, and electronic properties of two polymorphs of the charge-transfer complex dibenzotetrathiafulvalene-7,7,8,8-tetracyanoquinodimethane (DBTTF-TCNQ). The structures were resolved using electron diffraction. One is a rectangular-shaped platelet and exhibits ambipolar transport with gold contacts in organic field-effect transistors (OFETs). The second polymorph grows as a thin, circular platelet and shows p-type transport within the same OFET structure. The difference in electrical characteristics originates from two factors. First, the position of the HOMO level of the rectangular polymorph lies 0.07 eV below that of the circular polymorph, as determined by ultraviolet photoelectron spectroscopy (UPS). Second, using X-Ray photoelectron and Raman spectroscopies we find that the degree of charge transfer between the donor DBTTF and acceptor TCNQ varies from 0.4e +/- 0.1e for the rectangular crystals to 0.1e +/- 0.1e for the circular crystals. Additional differences between the two polymorphs arise when measuring the absorbance of the crystals. First, the peak corresponding to intermolecular charge transfer is offset by 0.05 eV between the two polymorphs, in agreement with UPS measurements. Additionally, the polarization angle dependence of the intermolecular CT band for the rectangular crystal is shifted by 60deg with respect to the angle dependence of the intramolecular transition. In contrast, this shift was only 20deg for the circular polymorph. These angle dependences allowed us to couple the anisotropy of the electrical characteristics to the optical measurements. Our results demonstrate how slight modifications in crystal structure yield drastic differences in optical and electrical properties in organic semiconducting materials.

  7. Electroactive and High Dielectric Folic Acid/PVDF Composite Film Rooted Simplistic Organic Photovoltaic Self-Charging Energy Storage Cell with Superior Energy Density and Storage Capability.

    Science.gov (United States)

    Roy, Swagata; Thakur, Pradip; Hoque, Nur Amin; Bagchi, Biswajoy; Sepay, Nayim; Khatun, Farha; Kool, Arpan; Das, Sukhen

    2017-07-19

    Herein we report a simplistic prototype approach to develop an organic photovoltaic self-charging energy storage cell (OPSESC) rooted with biopolymer folic acid (FA) modified high dielectric and electroactive β crystal enriched poly(vinylidene fluoride) (PVDF) composite (PFA) thin film. Comprehensive and exhaustive characterizations of the synthesized PFA composite films validate the proper formation of β-polymorphs in PVDF. Significant improvements of both β-phase crystallization (F(β) ≈ 71.4%) and dielectric constant (ε ≈ 218 at 20 Hz for PFA of 7.5 mass %) are the twosome realizations of our current study. Enhancement of β-phase nucleation in the composites can be thought as a contribution of the strong interaction of the FA particles with the PVDF chains. Maxwell-Wagner-Sillars (MWS) interfacial polarization approves the establishment of thermally stable high dielectric values measured over a wide temperature spectrum. The optimized high dielectric and electroactive films are further employed as an active energy storage material in designing our device named as OPSESC. Self-charging under visible light irradiation without an external biasing electrical field and simultaneous remarkable self-storage of photogenerated electrical energy are the two foremost aptitudes and the spotlight of our present investigation. Our as fabricated device delivers an impressively high energy density of 7.84 mWh/g and an excellent specific capacitance of 61 F/g which is superior relative to the other photon induced two electrode organic self-charging energy storage devices reported so far. Our device also proves the realistic utility with good recycling capability by facilitating commercially available light emitting diode.

  8. Charge transport studies in donor-acceptor block copolymer PDPP-TNT and PC71BM based inverted organic photovoltaic devices processed in room conditions

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Shashi B.; Singh, Samarendra P., E-mail: samarendra.singh@snu.edu.in [Department of Physics, Shiv Nadar University, Gautam Buddha Nagar, Uttar Pradesh, India-201307 (India); Sonar, Prashant [School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane, Australia-4001 (Australia)

    2015-07-15

    Diketopyrrolopyrole-naphthalene polymer (PDPP-TNT), a donor-acceptor co-polymer, has shown versatile behavior demonstrating high performances in organic field-effect transistors (OFETs) and organic photovoltaic (OPV) devices. In this paper we report investigation of charge carrier dynamics in PDPP-TNT, and [6,6]-phenyl C{sub 71} butyric acid methyl ester (PC71BM) bulk-heterojunction based inverted OPV devices using current density-voltage (J-V) characteristics, space charge limited current (SCLC) measurements, capacitance-voltage (C-V) characteristics, and impedance spectroscopy (IS). OPV devices in inverted architecture, ITO/ZnO/PDPP-TNT:PC71BM/MoO{sub 3}/Ag, are processed and characterized at room conditions. The power conversion efficiency (PCE) of these devices are measured ∼3.8%, with reasonably good fill-factor 54.6%. The analysis of impedance spectra exhibits electron’s mobility ∼2 × 10{sup −3} cm{sup 2}V{sup −1}s{sup −1}, and lifetime in the range of 0.03-0.23 ms. SCLC measurements give hole mobility of 1.12 × 10{sup −5} cm{sup 2}V{sup −1}s{sup −1}, and electron mobility of 8.7 × 10{sup −4} cm{sup 2}V{sup −1}s{sup −1}.

  9. Charge transport studies in donor-acceptor block copolymer PDPP-TNT and PC71BM based inverted organic photovoltaic devices processed in room conditions

    Science.gov (United States)

    Srivastava, Shashi B.; Sonar, Prashant; Singh, Samarendra P.

    2015-07-01

    Diketopyrrolopyrole-naphthalene polymer (PDPP-TNT), a donor-acceptor co-polymer, has shown versatile behavior demonstrating high performances in organic field-effect transistors (OFETs) and organic photovoltaic (OPV) devices. In this paper we report investigation of charge carrier dynamics in PDPP-TNT, and [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) bulk-heterojunction based inverted OPV devices using current density-voltage (J-V) characteristics, space charge limited current (SCLC) measurements, capacitance-voltage (C-V) characteristics, and impedance spectroscopy (IS). OPV devices in inverted architecture, ITO/ZnO/PDPP-TNT:PC71BM/MoO3/Ag, are processed and characterized at room conditions. The power conversion efficiency (PCE) of these devices are measured ˜3.8%, with reasonably good fill-factor 54.6%. The analysis of impedance spectra exhibits electron's mobility ˜2 × 10-3 cm2V-1s-1, and lifetime in the range of 0.03-0.23 ms. SCLC measurements give hole mobility of 1.12 × 10-5 cm2V-1s-1, and electron mobility of 8.7 × 10-4 cm2V-1s-1.

  10. Charge transport studies in donor-acceptor block copolymer PDPP-TNT and PC71BM based inverted organic photovoltaic devices processed in room conditions

    Directory of Open Access Journals (Sweden)

    Shashi B. Srivastava

    2015-07-01

    Full Text Available Diketopyrrolopyrole-naphthalene polymer (PDPP-TNT, a donor-acceptor co-polymer, has shown versatile behavior demonstrating high performances in organic field-effect transistors (OFETs and organic photovoltaic (OPV devices. In this paper we report investigation of charge carrier dynamics in PDPP-TNT, and [6,6]-phenyl C71 butyric acid methyl ester (PC71BM bulk-heterojunction based inverted OPV devices using current density-voltage (J-V characteristics, space charge limited current (SCLC measurements, capacitance-voltage (C-V characteristics, and impedance spectroscopy (IS. OPV devices in inverted architecture, ITO/ZnO/PDPP-TNT:PC71BM/MoO3/Ag, are processed and characterized at room conditions. The power conversion efficiency (PCE of these devices are measured ∼3.8%, with reasonably good fill-factor 54.6%. The analysis of impedance spectra exhibits electron’s mobility ∼2 × 10−3 cm2V−1s−1, and lifetime in the range of 0.03-0.23 ms. SCLC measurements give hole mobility of 1.12 × 10−5 cm2V−1s−1, and electron mobility of 8.7 × 10−4 cm2V−1s−1.

  11. 139La NMR investigation of the charge and spin order in a La1.885Sr0.115CuO4 single crystal

    Science.gov (United States)

    Arsenault, A.; Takahashi, S. K.; Imai, T.; He, W.; Lee, Y. S.; Fujita, M.

    2018-02-01

    139La NMR is suited for investigations into magnetic properties of La2CuO4 -based cuprates in the vicinity of their magnetic instabilities, owing to the modest hyperfine interactions between 139La nuclear spins and Cu electron spins. We report comprehensive 139La NMR measurements on a single-crystal sample of high-Tc superconductor La1.885Sr0.115CuO4 in a broad temperature range across the charge and spin order transitions (Tcharge≃80 K, Tspinneutron≃Tc=30 K). From the high-precision measurements of the linewidth for the nuclear spin Iz=+1 /2 to -1 /2 central transition, we show that paramagnetic line broadening sets in precisely at Tcharge due to enhanced spin correlations within the CuO2 planes. Additional paramagnetic line broadening ensues below ˜35 K, signaling that Cu spins in some segments of CuO2 planes are on the verge of three-dimensional magnetic order. A static hyperfine magnetic field arising from ordered Cu moments along the a b plane, however, begins to develop only below Tspinμ S R=15 -20 K, where earlier muon spin rotation measurements detected Larmor precession for a small volume fraction (˜20 % ) of the sample. Based on the measurement of 139La nuclear-spin-lattice relaxation rate 1 /T1 , we also show that charge order triggers enhancement of low-frequency Cu spin fluctuations inhomogeneously; a growing fraction of 139La sites is affected by enhanced low-frequency spin fluctuations toward the eventual magnetic order, whereas a diminishing fraction continues to exhibit a behavior analogous to the optimally superconducting phase even below Tcharge. These 139La NMR results corroborate our recent 63Cu NMR observation that a very broad, anomalous winglike signal gradually emerges below Tcharge, whereas the normally behaving, narrower main peak is gradually wiped out [T. Imai et al., Phys. Rev. B 96, 224508 (2017), 10.1103/PhysRevB.96.224508]. Furthermore, we show that the enhancement of low-energy spin excitations in the low-temperature regime

  12. Organic charge transfer phase formation in thin films of the BEDT-TTF/TCNQ donor-acceptor system

    DEFF Research Database (Denmark)

    Solovyeva, Vita; Keller, K.; Huth, M.

    2009-01-01

    We have performed charge transfer phase formation studies on the donor/acceptor system bis-(ethylendithio)tetrathiafulvalene (BEDT-TTF)/tetracyanoquinodimethane,(TCNQ) by means of physical vapor deposition. We prepared donor/acceptor bilayer structures on glass and Si(100)/SiO substrates held......-evaporation experiments of (BEDT-TTF)-TCNQ and TCNQ. In the course of these experiments we found that (0ℓℓ)-oriented BEDT-TTF layers can be prepared on α-Al O (112̄0) substrates at about 100 °C using (BEDT-TTF)-TCNQ as source material. We speculate that due to its high vapor pressure the TCNQ component serves...... as a carrier gas for BEDT-TTF vapor phase transport....

  13. Polycation-Exchanged Clays as Sorbents for Organic Pollutants: Influence of Layer Charge on Pollutant Sorption Capacity.

    Science.gov (United States)

    Breen; Watson

    1998-12-15

    The uptake curves for the adsorption of a polycation ([CH2CH(OH)CH2N(CH3)2]n+n(Cl)n-n) onto a low iron Texas bentonite, WL, have been determined and compared with those onto two source smectites, SWy-1 and SAz-1. The polycation exhibited a marked affinity for all the smectite surfaces but polycation uptake was maximized on the fine fractions of Na+-WL. Variable temperature X-ray diffraction of the clay polycation complexes showed that the polycation was segregated into different interlayers at loadings below 30% of the CEC. The adsorption of benzene onto TMA+-exchanged SWy-1, SAz-1, and WL showed that, despite having a comparable layer charge to SWy-1, WL was as poor a sorbent for benzene as SAz-1, which has a much higher layer charge. The adsorption of p-nitrophenol (PNP) from aqueous solution onto the TMA+-exchanged sorbents exhibited the same trends, although a smaller amount was adsorbed due to the greater size of PNP. The amount of PNP adsorbed by polycation-treated SWy-1 depended upon the polycation loading, and PNP uptake maximized at loadings of 28 and 46 mg (g clay)-1. At higher loadings (80, 102, and 147 mg (g clay)-1) the uptake curves became linear and the PNP uptake decreased with increased polycation loading. No polycation-treated clay was as effective as TMA+-exchanged SWy-1 for the removal of PNP from water. Copyright 1998 Academic Press.

  14. Charge carrier recombination channels in the low-temperature phase of organic-inorganic lead halide perovskite thin films

    Directory of Open Access Journals (Sweden)

    Christian Wehrenfennig

    2014-08-01

    Full Text Available The optoelectronic properties of the mixed hybrid lead halide perovskite CH3NH3PbI3−xClx have been subject to numerous recent studies related to its extraordinary capabilities as an absorber material in thin film solar cells. While the greatest part of the current research concentrates on the behavior of the perovskite at room temperature, the observed influence of phonon-coupling and excitonic effects on charge carrier dynamics suggests that low-temperature phenomena can give valuable additional insights into the underlying physics. Here, we present a temperature-dependent study of optical absorption and photoluminescence (PL emission of vapor-deposited CH3NH3PbI3−xClx exploring the nature of recombination channels in the room- and the low-temperature phase of the material. On cooling, we identify an up-shift of the absorption onset by about 0.1 eV at about 100 K, which is likely to correspond to the known tetragonal-to-orthorhombic transition of the pure halide CH3NH3PbI3. With further decreasing temperature, a second PL emission peak emerges in addition to the peak from the room-temperature phase. The transition on heating is found to occur at about 140 K, i.e., revealing significant hysteresis in the system. While PL decay lifetimes are found to be independent of temperature above the transition, significantly accelerated recombination is observed in the low-temperature phase. Our data suggest that small inclusions of domains adopting the room-temperature phase are responsible for this behavior rather than a spontaneous increase in the intrinsic rate constants. These observations show that even sparse lower-energy sites can have a strong impact on material performance, acting as charge recombination centres that may detrimentally affect photovoltaic performance but that may also prove useful for optoelectronic applications such as lasing by enhancing population inversion.

  15. Revealing charge carrier dynamics in squaraine:[6, 6]-phenyl-C 71-butyric acid methyl ester based organic solar cells

    Science.gov (United States)

    Rana, Aniket; Sharma, Chhavi; Prabhu, Deepak D.; Kumar, Mahesh; Karuvath, Yoosaf; Das, Suresh; Chand, Suresh; Singh, Rajiv K.

    2018-04-01

    Ultrafast charge carrier dynamics as well as the generation of polaron pair in squaraine (SQ) and squaraine:[6,6]-phenyl-C 71-butyric acid methyl ester (SQ:PCBM71) have been studied using ultrafast transient absorption spectroscopy (UTAS). The current study reveals that the pure SQ exhibits the creation of singlet and triplet states; however, incorporation of PCBM71 in SQ results in the formation of polaron pairs with ˜550ps lifetime, which in turn leads to the creation of free electrons in the device. We show that the considerable increment in monomolecular and bimolecular recombination in SQ:PCBM71 compared to pure SQ which describes the interfacial compatibility of SQ and PCBMC71 molecules. The present work not only provides the information about the carrier generation in SQ and SQ:PCBM71 but also gives the facts relating to the effect of PCBM71 mixing into the SQ which is very significant because the SQ has donor-acceptor-donor (D-A-D) structure and mixing one more acceptor can introduce more complex recombinations in the blend. These findings have been complimented by the charge transport study in the device using impedance spectroscopy. The various important transport parameters are transit time (τt), diffusion constant (Dn), global mobility (μ) and carrier lifetime (τr). The values of these parameters are 26.38 μs, 4.64x10-6 cm2s-1, 6.12x10-6 cm2V-1s-1 and 399 μs, respectively. To the best of our knowledge such study related to SQ is not present in the literature comprehensively.

  16. Surface plasmon-enhanced amplified spontaneous emission from organic single crystals by integrating graphene/copper nanoparticle hybrid nanostructures.

    Science.gov (United States)

    Li, Yun-Fei; Feng, Jing; Dong, Feng-Xi; Ding, Ran; Zhang, Zhen-Yu; Zhang, Xu-Lin; Chen, Yang; Bi, Yan-Gang; Sun, Hong-Bo

    2017-12-14

    Organic single crystals have attracted great attention because of their advantages such as high carrier mobility and high thermal stability. Amplified spontaneous emission (ASE) is an important parameter for the optoelectronic applications of organic single crystals. Here, surface plasmon-enhanced ASE from the organic single crystals has been demonstrated by integrating graphene/copper nanoparticle (Cu NP) hybrid nanostructures. Graphene is fully accommodating to the topography of Cu NPs by the transfer-free as-grown method for the configuration of the hybrid nanostructures, which makes full electrical contact and strong interactions between graphene and the local electric field of surface plasmon resonances. The enhanced localized surface plasmon resonances induced by the hybrid nanostructures result in an enhanced intensity and lowered threshold of ASE from the organic single crystals. Moreover, the as-grown graphene sheets covering fully and uniformly on the Cu NPs act as a barrier against oxidation, and results in an enhanced stability of the fluorescence from the crystals.

  17. Bioaccumulation and Toxicity of Single-Walled Carbon Nanotubes to Benthic Organisms at the Base of the Marine Food Chain

    Science.gov (United States)

    As the use of single-walled carbon nanotubes (SWNTs) increases over time, so does the potential for environmental release. This research aimed to determine the toxicity, bioavailability, and bioaccumulation of SWNTs in marine benthic organisms at the base of the food chain. The t...

  18. Cs adsorption on the clay-sized fraction of various soils: effect of organic matter destruction and charge compensating cation

    International Nuclear Information System (INIS)

    Staunton, S.; Levacic, P.

    1999-01-01

    The association of organic matter with clay minerals may decrease their affinity for Cs and thus enhance its bioavailability. We have investigated this hypothesis by comparing Cs adsorption on several soils, both topsoils and the corresponding subsoils, before and after organic matter destruction with H 2 O 2 . The clay-sized fractions were homoionic in either K, Na or Ca, to avoid artefacts due to variable composition of the exchange complex. All experiments were carried out in dilute suspension under controlled conditions. The affinity of the clay-sized fractions for Cs and the value of the Freundlich b parameter are typical of illites. This supports the hypothesis that the adsorption properties of soils are dominated by small amounts of illite. However, if this is the case, the affinity of soil illites is higher than that of reference illites. The destruction of organic matter has a variable effect. In some cases, a marked enhancement is observed, in others there is no significant effect, or a small decrease. There is no clear pattern relating the effect of organic matter destruction and either dominant clay mineralogy or organic matter content. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  19. Dynamical mechanism of charge separation by photoexcited generation of proton-electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study

    Science.gov (United States)

    Yamamoto, Kentaro; Takatsuka, Kazuo

    2016-08-01

    In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton-electron pair creation) relevant to the photoinduced water-splitting reaction (2H2O → 4H+ + 4e- + O2) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X-Mn-OH2⋯A, where X = (OH, Ca(OH)3) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton and electron back to the originally donor site through the states of d-d band originated from Mn atom. Repetition of this process gradually annihilates the created pair of proton and electron in a way different from the usual charge recombination process. We address this dynamics by means of our proposed path-branching representation. The dynamical roles of a doped Ca atom are also uncovered, which are relevant to controlling the pathways of electron

  20. Marketing Analysis Strategy Organic Rice at UD. Padi Marketing Region Bekasi with Single Agent (Yasin Holistic Super Organic

    Directory of Open Access Journals (Sweden)

    Euis Dasipah

    2014-06-01

    Full Text Available Organic food (organic rice actually is not something new for Indonesian people. Before "Green Revolution" (1960th, Indonesian farmers have produced rice without using chemical pest and fertilizer (conventional rice. Holistic Super Organic (HSO rice is one of the brand organic rice, which is sold in Indonesia's market. Usaha Dagang (U.D. Padi is the company, which is special to produce, and marketing HSO rice. The research is wanted to know marketing strategy HSO rice, especially in district of Bekasi with SWOT analysis. This research used case study methods with held by interview and literature study. The result of analyzing identified that the strengths from U.D. Padi was dominant and the opportunities so on. So, the next plan of marketing's strategy for is Aggressive Strategy. Aggressive Strategy is the effort to maximalize the strengths to get the opportunities optimally. The strengths of U.D. Padi is the especially of product and the distribution strategy which was held with excellent. The opportunities U.D. Padi is the wealth people who was increasing and the distributor channel who was welcome.

  1. Focus on Organic Conductors

    Directory of Open Access Journals (Sweden)

    Shinya Uji, Takehiko Mori and Toshihiro Takahashi

    2009-01-01

    Full Text Available Organic materials are usually thought of as electrical insulators. Progress in chemical synthesis, however, has brought us a rich variety of conducting organic materials, which can be classified into conducting polymers and molecular crystals. Researchers can realize highly conducting molecular crystals in charge-transfer complexes, where suitable combinations of organic electron donor or acceptor molecules with counter ions or other organic molecules provide charge carriers. By means of a kind of chemical doping, the charge-transfer complexes exhibit high electrical conductivity and, thanks to their highly crystalline nature, even superconductivity has been observed. This focus issue of Science and Technology of Advanced Materials is devoted to the research into such 'organic conductors'The first organic metal was (TTF(TCNQ, which was found in 1973 to have high conductivity at room temperature and a metal–insulator transition at low temperatures. The first organic superconductor was (TMTSF2PF6, whose superconductivity under high pressures was reported by J´erome in 1980. After these findings, the research on organic conductors exploded. Hundreds of organic conductors have been reported, among which more than one hundred exhibit superconductivity. Recently, a single-component organic conductor has been found with metallic conductivity down to low temperatures.In these organic conductors, in spite of their simple electronic structures, much new physics has arisen from the low dimensionality. Examples are charge and spin density waves, characteristic metal–insulator transitions, charge order, unconventional superconductivity, superconductor–insulator transitions, and zero-gap conductors with Dirac cones. The discovery of this new physics is undoubtedly derived from the development of many intriguing novel organic conductors. High quality single crystals are indispensable to the precise measurement of electronic states.This focus issue

  2. A novel framework for molecular characterization of atmospherically relevant organic compounds based on collision cross section and mass-to-charge ratio

    Science.gov (United States)

    Zhang, Xuan; Krechmer, Jordan E.; Groessl, Michael; Xu, Wen; Graf, Stephan; Cubison, Michael; Jayne, John T.; Jimenez, Jose L.; Worsnop, Douglas R.; Canagaratna, Manjula R.

    2016-10-01

    A new metric is introduced for representing the molecular signature of atmospherically relevant organic compounds, the collision cross section (Ω), a quantity that is related to the structure and geometry of molecules and is derived from ion mobility measurements. By combination with the mass-to-charge ratio (m/z), a two-dimensional Ω - m/z space is developed to facilitate the comprehensive investigation of the complex organic mixtures. A unique distribution pattern of chemical classes, characterized by functional groups including amine, alcohol, carbonyl, carboxylic acid, ester, and organic sulfate, is developed on the 2-D Ω - m/z space. Species of the same chemical class, despite variations in the molecular structures, tend to situate as a narrow band on the space and follow a trend line. Reactions involving changes in functionalization and fragmentation can be represented by the directionalities along or across these trend lines, thus allowing for the interpretation of atmospheric transformation mechanisms of organic species. The characteristics of trend lines for a variety of functionalities that are commonly present in the atmosphere can be predicted by the core model simulations, which provide a useful tool to identify the chemical class to which an unknown species belongs on the Ω - m/z space. Within the band produced by each chemical class on the space, molecular structural assignment can be achieved by utilizing collision-induced dissociation as well as by comparing the measured collision cross sections in the context of those obtained via molecular dynamics simulations.

  3. A Charge Parity Ammeter

    Science.gov (United States)

    Lambert, Nicholas J.; Edwards, Megan; Ciccarelli, Chiara; Ferguson, Andrew J.

    2014-03-01

    A metallic double-dot is measured with radio frequency reflectometry. Changes in the total electron number of the double-dot are determined via single electron tunnelling contributions to the complex electrical impedance. Electron counting experiments are performed by monitoring the impedance, demonstrating operation of a single electron ammeter without the need for external charge detection.

  4. Spectroscopic signatures of spin-charge separation in the quasi-one-dimensional organic conductor TTF-TCNQ

    DEFF Research Database (Denmark)

    Claessen, R.; Sing, M.; Schwingenschlogl, U.

    2002-01-01

    The electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ is studied by angle-resolved photoelectron spectroscopy (ARPES). The experimental spectra reveal significant discrepancies to band theory. We demonstrate that the measured dispersions can be consistently mapped onto ...

  5. Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-12-01

    Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

  6. Potential brain death organ donors - challenges and prospects: A single center retrospective review

    Directory of Open Access Journals (Sweden)

    Yousef Al-Maslamani

    2014-01-01

    Full Text Available Organ donation after brain death (BD is a major source for obtaining transplantable organs for patients with end-stage organ disease (ESOD. This retrospective, descriptive study was carried out on all potential BD patients admitted in different intensive care units (ICUs of the Hamad medical Corporation (HMC, Doha, Qatar during a period from January 2011 to April 2012. Our aim was to evaluate various demographic criteria and challenges of organ donation among potential BD organ donors and plan a strategy to improve the rate of organ donation in Qatar. Various aspects of BD patients in the ICUs and their possible effects on organ donation were studied. The time intervals analyzed to determine the possible causes of delay of organ retrieval were: time of diagnosing fixed dilated pupils in the ICU, to performing the first BD test, then to the second BD test, to family approach, to organ retrieval and/or circulatory death (CD without organ retrieval. There were a total of 116 potential BD organ donors of whom 96 (82.75% were males and 20 (17.25% were females. Brain hemorrhage and head injury contributed to 37 (31.9% and 32 (27.6% BD cases, respectively. Time interval between diagnosing fixed dilated pupil and performing the first test of BD was delayed >24 h in 79% of the cases and between the first and second BD tests was >6 h in 70.8% of the cases. This delay is not compatible with the Hamad Medical Corporation (HMC policy for BD diagnosis and resulted in a low number of organs retrieved. BD organ donation, a potential source for organs to save patients with ESOD has several pitfalls and every effort should be made to increase the awareness of the public as well as medical personnel to optimize donation efficacy.

  7. An insight into the mechanism of charge transfer properties of hybrid organic (MEH-PPV): Inorganic (TiO2) nanocomposites

    International Nuclear Information System (INIS)

    Mittal, Tanu; Tiwari, Sangeeta; Mehta, Aarti; Sharma, Shailesh N.

    2016-01-01

    Now a days, inorganic nanoparticles are gaining importance and are potential candidate in different organic electronic device application like (LEDs, PVs) due to their novel properties and confinement in Nano-dimensions. [1, 2] In the present work, we have compared the properties of titanium di oxide (TiO 2 ) nanoparticles (NPs) synthesized by using two different chemical routes aqueous and ethanol respectively. These synthesized TiO 2 nanoparticles have been characterized by X-ray diffraction spectroscopy (XRD) for phase confirmation. It was observed that synthesized nanoparticles are in anatase phase for both preparation routes. Morphological information was collected by scanning electron microscopy (SEM) which confirms that particles are almost spherical in shape and distributed uniformly which is further ensured by transmission electron microscopy (TEM). Dynamic light scattering (DLS) technique was also used for further confirmation of size distribution of as-synthesized nanoparticles. Optical properties were also investigated by photoluminescence and UV-Vis spectroscopy and calculated bandgap was found to be in the range of 3.3-3.5eV for TiO 2 (aq/eth) nanoparticles. The increase in bandgap values with respect to bulk (3.2 eV) confirms that as- synthesized nanoparticles are confined in nanodimensions. As synthesized nanoparticles were interacted with MEHPPV polymer (donor) matrix to make their respective MEHPPV: TiO 2 nanocomposites and to confirm the charge transfer mechanism from polymer to nanoparticles. It can be observed from photoluminescence (PL) quenching experiments that continuous quenching obtained for respective nanocomposites confirms better charge transfer from polymer to inorganic TiO 2 nanoparticles respectively. Because of, better quenching and simultaneously enhanced charge transfer of respective nanocomposites, ensures that these nanocomposites are greatly applicable for photovoltaics (PVs) especially in Hybrid Solar cells (HSCs).

  8. THIN FILMS OF A NEW ORGANIC SINGLE-COMPONENT FERROELECTRIC 2-METHYLBENZIMIDAZOLE

    Directory of Open Access Journals (Sweden)

    E. V. Balashova

    2016-09-01

    Full Text Available Subject of Research.We present results of structural and dielectric study of organic ferroelectric 2-methylbenzimidazole (MBI thin films. Method. The films have been grown on substrates of leuco-sapphire, fused and crystalline silica, neodymium gallate, bismuth germanate, gold, aluminium, platinum. The films have been grown by two different methods: substrate covering by ethanol solution of MBI and subsequent ethanol evaporation; sublimation at the temperature near 375 K under atmospheric pressure. Crystallographic orientation studies have been performed by means of «DRON-3» X-ray diffractometer, block structure of the films has been determined by «LaboPol-3» polarizing microscope. Small-signal dielectric response has been received with the use of «MIT 9216A» digital LCR-meter, while strong-signal dielectric response has been studied by Sawyer-Tower circuit. Main Resuts. We have shown that the films obtained by evaporation are continuous and textured. Obtained film structure depends on the concentration of the solution. Films may consist of blocks that are splitted crystals like spherulite. Spontaneous polarization components in such films may be directed both perpendicularly and in the film plane. We have also obtained structures consisting of single-crystal blocks with spontaneous polarization components being allocated in the film plane. Block sizes vary from a few to hundreds of microns. Films obtained by sublimation are amorphous or dendritic. The dielectric properties of the films obtained by evaporation have been studied. We have shown that the dielectric constant and dielectric loss tangent increase under heating. The dielectric hysteresis loops are observed at the temperature equal to 291-379 K. The remnant polarization increases with temperature for constant amplitude of the external electric field, and achieves 4.5mC/cm2, while the coercive field remains constant. We propose that such behavior is explained by increase of the

  9. Pharmacological characterization of NMDA-like receptors in the single-celled organism Paramecium primaurelia.

    Science.gov (United States)

    Ramoino, Paola; Candiani, Simona; Pittaluga, Anna Maria; Usai, Cesare; Gallus, Lorenzo; Ferrando, Sara; Milanese, Marco; Faimali, Marco; Bonanno, Giambattista

    2014-02-01

    Paramecium primaurelia is a unicellular eukaryote that moves in freshwater by ciliary beating and responds to environmental stimuli by altering motile behaviour. The movements of the cilia are controlled by the electrical changes of the cell membrane: when the intraciliary Ca(2+) concentration associated with plasma membrane depolarization increases, the ciliary beating reverses its direction, and consequently the swimming direction changes. The ciliary reversal duration is correlated with the amount of Ca(2+) influx. Here, we evaluated the effects due to the activation or blockade of N-methyl-d-aspartic acid (NMDA) receptors on swimming behaviour in Paramecium. Paramecia normally swim forward, drawing almost linear tracks. We observed that the simultaneous administration of NMDA and glycine induced a partial ciliary reversal (PaCR) leading to a continuous spiral-like swim. Furthermore, the duration of continuous ciliary reversal (CCR), triggered by high external KCl concentrations, was longer in NMDA+glycine-treated cells. NMDA action required the presence of Ca(2+), as the normal forward swimming was restored when the ion was omitted from the extracellular milieu. The PaCR and the enhancement of CCR duration significantly decreased when the antagonists of the glutamate site D-AP5 or CGS19755, the NMDA channel blocker MK-801 or the glycine site antagonist DCKA was added. The action of NMDA+glycine was also abolished by Zn(2+) or ifenprodil, the GluN2A and the GluN2B NMDA-containing subunit blockers, respectively. Searches of the Paramecium genome database currently available indicate that the NMDA-like receptor with ligand-binding characteristics of an NMDA receptor-like complex, purified from rat brain synaptic membranes and found in some metazoan genomes, is also present in Paramecium. These results provide evidence that functional NMDA receptors similar to those typical of mammalian neuronal cells are present in the single-celled organism Paramecium and thus

  10. High reliable and stable organic field-effect transistor nonvolatile memory with a poly(4-vinyl phenol) charge trapping layer based on a pn-heterojunction active layer

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Lanyi; Ying, Jun; Han, Jinhua; Zhang, Letian, E-mail: zlt@jlu.edu.cn, E-mail: wwei99@jlu.edu.cn; Wang, Wei, E-mail: zlt@jlu.edu.cn, E-mail: wwei99@jlu.edu.cn [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, 2699 Qianjin Street, Changchun 130012 (China)

    2016-04-25

    In this letter, we demonstrate a high reliable and stable organic field-effect transistor (OFET) based nonvolatile memory (NVM) with a polymer poly(4-vinyl phenol) (PVP) as the charge trapping layer. In the unipolar OFETs, the inreversible shifts of the turn-on voltage (V{sub on}) and severe degradation of the memory window (ΔV{sub on}) at programming (P) and erasing (E) voltages, respectively, block their application in NVMs. The obstacle is overcome by using a pn-heterojunction as the active layer in the OFET memory, which supplied a holes and electrons accumulating channel at the supplied P and E voltages, respectively. Both holes and electrons transferring from the channels to PVP layer and overwriting the trapped charges with an opposite polarity result in the reliable bidirectional shifts of V{sub on} at P and E voltages, respectively. The heterojunction OFET exhibits excellent nonvolatile memory characteristics, with a large ΔV{sub on} of 8.5 V, desired reading (R) voltage at 0 V, reliable P/R/E/R dynamic endurance over 100 cycles and a long retention time over 10 years.

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

    Science.gov (United States)

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

    2018-03-15

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

  12. ORGANIC TRICUSPID VALVE REPAIR WITH AUTOLOGOUS GLUTARALDEHYDE FIXED PERICARDIAL PATCH : A SINGLE CENTER RESULTS

    OpenAIRE

    Murtaza A; Ajay; Gaurav; Premraj; Varun; Aashish; Deepesh; Ramanand D.

    2015-01-01

    AIM AND OBJECTIVE: The aim of this study was to determine the effectiveness and results of repair of Organic Tricuspid Valve disease. INTRODUCTION : since tricuspid valve disease most often found in association with other valve disease. Isolated tricuspid valve disease is ra re. Pattern of involvement of tricuspid valve disease shows functional (75%) and primary (organic) in (25%). Surgical repair of organic tricuspid valve disease oft...

  13. Single and joint ecotoxicity data estimation of organic UV filters and nanomaterials toward selected aquatic organisms. Urban groundwater risk assessment.

    Science.gov (United States)

    Molins-Delgado, Daniel; Gago-Ferrero, Pablo; Díaz-Cruz, M Silvia; Barceló, Damià

    2016-02-01

    The hazardous potential of organic UV filters (UV-Fs) is becoming an issue of great concern due to the widespread application of these compounds in most daily-use goods, such as hygiene and beauty products. Nanomaterials (NMs) have also been used in personal care products (PCPs) for many years. Nowadays, both classes of chemicals are considered environmental emerging contaminants. Despite some studies performed in vitro and in vivo reported adverse effects of many UV-Fs on the normal development of organisms, there is scarce data regarding acute and chronic toxicity. The aim of the present study was to determine the EC50 values of selected UV-Fs using standardised toxicity assays on three aquatic species i.e. Daphnia magna, Raphidocelis subcapitata and Vibrio fischeri. EC50 values obtained were in the mgl(-1) range for all the species. The estimated toxicity data allowed us to assess the environmental risk posed by selected UV-Fs in urban groundwater from Barcelona (Spain). The calculated ecological risk indicated a negligible impact on the aquifer. Giving the increasing importance of studying mixtures of pollutants and due to the widespread presence of nanomaterials (NMs) in the aquatic environment, other objective of this work was to explore the response on D. magna after exposure to both binary combinations of UV-Fs among them and UV-F with NMs. In all cases but the nano-silver mixtures, joint toxicity was mitigated or even eradicated. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Organ donation from brain-dead and circulatory-dead donors: single-institution experiences.

    Science.gov (United States)

    Kenmochi, T; Nishiyama, S; Hayashi, M; Ito, T; Kato, Y; Hoshinaga, K

    2014-05-01

    Although the number of organ donations is extremely small in Japan, organ donation from brain dead (DBD) donors is increasing since the revised Law for Organ Transplantation was enacted on July 17, 2010. In our institution, organ donations had so far been performed from 247 donors (DCD 242, DBD 5), which is the largest number in Japan. In this study, we analyzed the status of organ donation before and after the enforcement of the revised law. After the enforcement of the revised law, the option of organ donation was shown to the more families of potential donors by the doctors or donor coordinators. However, the final number of donors was almost the same. The frequency of DBD donors of all donors increased (33.3%) as compared to 9.1% before the enforcement of the revised law. Reasons for rejection of donation from donor families were mainly based on the lack of understanding of brain death. To increase organ donation, we should promote social recognition of brain death, having the Organ Donation Card, and discussion of organ donation in each family. Copyright © 2014 Elsevier Inc. All rights reserved.

  15. Estimated radiation doses to different organs among patients treated for ankylosing spondylitis with a single course of X rays

    International Nuclear Information System (INIS)

    Lewis, C.A.; Smith, P.G.; Stratton, I.M.; Darby, S.C.; Doll, R.

    1988-01-01

    A follow-up study of over 14000 patients treated with a single course of X rays for ankylosing spondylitis demonstrated substantial excess risk of developing cancer. Previously the excess risk of leukaemia has been related to the estimated mean radiation dose to active bone marrow but detailed estimates were not made of the radiation doses to other organs. Data extracted from the original treatment records of a random sample of one in 15 patients have been used to make dose estimates, using Monte Carlo methods, for 30 specific organs or body regions and 12 bone marrow sites. Estimates of mean and median organ doses, standard deviations and ranges have been tabulated. Detailed distributions are presented for six organs (lung, bronchi, stomach, oesophagus, active bone marrow and total body). Comparison with the earlier bone marrow estimates and more recent theoretical estimates shows good agreement. (author)

  16. Analytical and numerical analysis of charge carriers extracted by linearly increasing voltage in a metal-insulator-semiconductor structure relevant to bulk heterojunction organic solar cells

    Science.gov (United States)

    Yumnam, Nivedita; Hirwa, Hippolyte; Wagner, Veit

    2017-12-01

    Analysis of charge extraction by linearly increasing voltage is conducted on metal-insulator-semiconductor capacitors in a structure relevant to organic solar cells. For this analysis, an analytical model is developed and is used to determine the conductivity of the active layer. Numerical simulations of the transient current were performed as a way to confirm the applicability of our analytical model and other analytical models existing in the literature. Our analysis is applied to poly(3-hexylthiophene)(P3HT) : phenyl-C61-butyric acid methyl ester (PCBM) which allows to determine the electron and hole mobility independently. A combination of experimental data analysis and numerical simulations reveals the effect of trap states on the transient current and where this contribution is crucial for data analysis.

  17. Fractional charges

    International Nuclear Information System (INIS)

    Saminadayar, L.

    2001-01-01

    20 years ago fractional charges were imagined to explain values of conductivity in some materials. Recent experiments have proved the existence of charges whose value is the third of the electron charge. This article presents the experimental facts that have led theorists to predict the existence of fractional charges from the motion of quasi-particles in a linear chain of poly-acetylene to the quantum Hall effect. According to the latest theories, fractional charges are neither bosons nor fermions but anyons, they are submitted to an exclusive principle that is less stringent than that for fermions. (A.C.)

  18. Surface characterisation and functionalisation of indium tin oxide anodes for improvement of charge injection in organic light emitting diodes

    International Nuclear Information System (INIS)

    Davenas, J.; Besbes, S.; Abderrahmen, A.; Jaffrezic, N.; Ben Ouada, H.

    2008-01-01

    Wettability studies have been performed to probe the surface properties of ITO substrates, aimed to be used as hole injecting electrode in OLEDs. The elimination of organic contaminants upon the cleaning treatment (ultrasonic bath in organic solvents) leads to an increase of the free energy of the ITO surface becoming hydrophilic. The surface energy components calculated from the Van Oss model show the appearance of a basic component upon the cleaning treatment. A thermal treatment at 100 deg. C for 3 h leads to a decrease of the surface free energy due to surface dehydration. These properties are attributed to the hydroxides formed at the ITO surface inducing improved adhesion at the ITO/polymer interface. The ITO surfaces have been functionalised with a chloroethylphosphonic acid mono-layer to increase their stability. The appearance of an acid-base component leads to a dipolar character of the ITO surface. The formation of a compact layer of a spin coated poly(phenylenevinylene) derivative induces the shielding of the ITO basic character. The weakening of the near infrared absorption associated to ITO free carriers confirms the formation of a dipole layer at the interface with the molecular layer in contact with ITO. Improved injection properties, shown by the current/voltage characteristics, result from the interface modifications

  19. An Organic Memristive Element Based on Single Polyaniline/Polyamide-6 Fiber

    Science.gov (United States)

    Lapkin, D. A.; Malakhov, S. N.; Demin, V. A.; Chvalun, S. N.

    2017-12-01

    Conducting hybrid polyaniline-coated polyamide-6 fiber has been obtained and used as the basis for an organic memristive element. The proposed device exhibits resistive switching with a continuous character of conductance variation. The results show that the proposed organic memristor can be used for creating three-dimensional stochastic networks based on hybrid nonwoven materials.

  20. A new method for charge trapping measurement during electron beam irradiation: application to glass containing alkali ions and single-crystalline quartz

    International Nuclear Information System (INIS)

    Fakhfakh, S; Ghorbel, N; Jbara, O; Rondot, S; Martin, D; Fakhfakh, Z; Kallel, A

    2004-01-01

    The aim of this work is to study the electron irradiation behaviour of an insulating material surface using a scanning electron microscope (SEM). The charging phenomena caused in two kinds of insulating materials (quartz and glass) by continuous electron irradiation have been observed. The discharging phenomena following switching off of irradiation have also been studied. The trapped charge density is determined by using the so-called electrostatic influence method based on the measurement, during and after the irradiation, of the influence and leakage currents using an arrangement adapted to the SEM. The experimental results reveal that the behaviour under irradiation of glass is entirely different from that of quartz. The trapped charges are found to be different, and the dependence of charging on the primary beam energy is discussed. The charging and discharging time constants have been determined accurately, and their evolution versus the mean electron penetration depth is qualitatively explained. Moreover, the role of secondary electron emission in the regulation mechanism of charging is underlined