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Sample records for model organism electronic

  1. Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices †

    KAUST Repository

    Beljonne, David; Cornil, Jérôme; Muccioli, Luca; Zannoni, Claudio; Brédas, Jean-Luc; Castet, Frédéric

    2011-01-01

    We report on the recent progress achieved in modeling the electronic processes that take place at interfaces between π-conjugated materials in organic opto-electronic devices. First, we provide a critical overview of the current computational

  2. Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices †

    KAUST Repository

    Beljonne, David

    2011-02-08

    We report on the recent progress achieved in modeling the electronic processes that take place at interfaces between π-conjugated materials in organic opto-electronic devices. First, we provide a critical overview of the current computational techniques used to assess the morphology of organic: organic heterojunctions; we highlight the compromises that are necessary to handle large systems and multiple time scales while preserving the atomistic details required for subsequent computations of the electronic and optical properties. We then review some recent theoretical advances in describing the ground-state electronic structure at heterojunctions between donor and acceptor materials and highlight the role played by charge-transfer and long-range polarization effects. Finally, we discuss the modeling of the excited-state electronic structure at organic:organic interfaces, which is a key aspect in the understanding of the dynamics of photoinduced electron-transfer processes. © 2010 American Chemical Society.

  3. Fully coupled opto-electronic modelling of organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Reinke, Nils A.; Haeusermann, Roger; Huber, Evelyne; Moos, Michael [ZHAW, Institute of Comp. Physics (Germany); Flatz, Thomas [Fluxim AG (Switzerland); Ruhstaller, Beat [ZHAW, Institute of Comp. Physics (Germany); Fluxim AG (Switzerland)

    2009-07-01

    Record solar power conversion efficiencies of up to 5.5 % for single junction organic solar cells (OSC) are encouraging but still inferior to values of inorganic solar cells. For further progress, a detailed analysis of the mechanisms that limit the external quantum efficiency is crucial. It is widely believed that the device physics of OSCs can be reduced to the processes, which take place at the donor/acceptor-interface. Neglecting transport, trapping and ejection of charge carriers at the electrodes raises the question of the universality of such a simplification. In this study we present a fully coupled opto-electronic simulator, which calculates the spatial and spectral photon flux density inside the OSC, the formation of the charge transfer state and its dissociation into free charge carriers. Our simulator solves the drift- diffusion equations for the generated charge carriers as well as their ejection at the electrodes. Our results are in good agreement with both steady-state and transient OSC characteristics. We address the influence of physical quantities such as the optical properties, film-thicknesses, the recombination rate and charge carrier mobilities on performance figures. For instance the short circuit current can be enhanced by 15% to 25% when using a silver instead of an aluminium cathode. Our simulations lead to rules of thumb, which help to optimise a given OSC structure.

  4. Organizing the Electronic Century

    OpenAIRE

    Richard N. Langlois

    2007-01-01

    This paper's title is an echo of Alfred Chandler's (2001) chronicle of the electronics industry, Inventing the Electronic Century. The paper attempts (A) a general reinterpretation of the pattern of technological advance in (American) electronics over the twentieth century and (B) a somewhat revisionist account of the role of organization and institution in that advance. The paper stresses the complex effects of product architecture and intellectual property regime on industrial organization ...

  5. Models for formation and choice of variants for organizing digital electronics manufacturing

    Science.gov (United States)

    Korshunov, G. I.; Lapkova, M. Y.; Polyakov, S. L.; Frolova, E. A.

    2018-03-01

    The directions of organizing digital electronics manufacturing are considered by the example of surface mount technology. The basic equipment choice has to include not only individual characteristics, but also mutual influence of individual machines and the results of design for manufacturing. Application of special cases of the Utility function which are complicated in the general representation of polynomial functions are proposed for estimation of product quality in a staged automation.

  6. Visualization of phase evolution in model organic photovoltaic structures via energy-filtered transmission electron microscopy.

    Science.gov (United States)

    Herzing, Andrew A; Ro, Hyun Wook; Soles, Christopher L; DeLongchamp, Dean M

    2013-09-24

    The morphology of the active layer in an organic photovoltaic bulk-heterojunction device is controlled by the extent and nature of phase separation during processing. We have studied the effects of fullerene crystallinity during heat treatment in model structures consisting of a layer of poly(3-hexylthiophene) (P3HT) sandwiched between two layers of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). Utilizing a combination of focused ion-beam milling and energy-filtered transmission electron microscopy, we monitored the local changes in phase distribution as a function of annealing time at 140 °C. In both cases, dissolution of PCBM within the surrounding P3HT was directly visualized and quantitatively described. In the absence of crystalline PCBM, the overall phase distribution remained stable after intermediate annealing times up to 60 s, whereas microscale PCBM aggregates were observed after annealing for 300 s. Aggregate growth proceeded vertically from the substrate interface via uptake of PCBM from the surrounding region, resulting in a large PCBM-depleted region in their vicinity. When precrystallized PCBM was present, amorphous PCBM was observed to segregate from the intermediate P3HT layer and ripen the crystalline PCBM underneath, owing to the far lower solubility of crystalline PCBM within P3HT. This process occurred rapidly, with segregation already evident after annealing for 10 s and with uptake of nearly all of the amorphous PCBM by the crystalline layer after 60 s. No microscale aggregates were observed in the precrystallized system, even after annealing for 300 s.

  7. Organic electronics on banknotes.

    Science.gov (United States)

    Zschieschang, Ute; Yamamoto, Tatsuya; Takimiya, Kazuo; Kuwabara, Hirokazu; Ikeda, Masaaki; Sekitani, Tsuyoshi; Someya, Takao; Klauk, Hagen

    2011-02-01

    Organic transistors and circuits are fabricated directly on the surface of banknotes. The transistors operate with voltages of 3 V and have a field-effect mobility of about 0.2 cm2 V−1s−1. For an array of 100 transistors a yield of 92% is obtained.

  8. Percolation model for electron conduction in films of metal nanoparticles linked by organic molecules

    International Nuclear Information System (INIS)

    Muller, K.H.; Herrmann, J.; Raguse, B.; Baxter, G.; Reda, T.

    2002-01-01

    Full text: We have investigated theoretically and experimentally the temperature dependence of the conductance of films of Au nanoparticles linked by alkane dithiol molecules in the temperature range between 5 K and 300 K. Conduction in these films is due to tunneling of single electrons between neighbouring metal nanoparticles. During tunnelling an electron has to overcome the Coulomb charging energy. We find that the observed temperature dependence of the conductance is non-Arrhenius like and can be described in terms of a percolation theory which takes account of disorder in the system. Disorder in our nanoparticle films is caused by variations in the nanoparticle size, fluctuations in the separation gaps between adjacent nanoparticles and by offset charges. To explain in detail our experimental data, a wide distribution of separation gaps and charging energies is needed. We find that a wide Coulomb charging energy distribution can arise from random offset charges even if the nanoparticle size distribution is narrow

  9. Electron damage in organic crystals

    International Nuclear Information System (INIS)

    Howitt, D.G.; Thomas, G.

    1977-01-01

    The effects of radiation damage in three crystalline organic materials (l-valine, cytosine, copper phthalocyanine) have been investigated by electron microscopy. The degradation of these materials has been found to be consistent with a gradual collapse of their crystal structures brought about by ionization damage to the comprising molecules. It is inferred that the crystallinity of these materials is destroyed by ionizing radiation because the damaged molecules cannot be incorporated into the framework of their original structures. (author)

  10. Electron crystallography of organic pigments

    International Nuclear Information System (INIS)

    Boyce, G.

    1997-10-01

    The principle aim of this thesis is the detailing of the development and subsequent use of electron crystallographic techniques which employ the maximum entropy approach. An account is given of the electron microscope as a crystallographic instrument, along with the necessary theory involved. Also, an overview of the development of electron crystallography, as a whole, is given. This progresses to a description of the maximum entropy methodology and how use can be made of electron diffraction data in ab initio phasing techniques. Details are also given of the utilisation of image derived phases in the determination of structural information. Extensive examples are given of the use of the maximum entropy program MICE, as applied to a variety of structural problems. A particular area of interest covered by this thesis is regarding the solid state structure of organic pigments. A detailed structure review of both β-naphthol and acetoacetanilide pigments was undertaken. Information gained from this review was used as a starting point for the attempted structural elucidation of a related pigment, Barium Lake Red C. Details are given of the synthesis, electron microscope studies and subsequent ab initio phasing procedures applied in the determination of structural information on Barium Lake Red C. The final sections of this thesis detail electron crystallographic analyses of three quite different structures. Common to all was the use of maximum entropy methods, both for ab initio phasing and use of image derived phases. Overall, it is shown that electron crystallographic structure analyses using maximum entropy methods are successful using electron diffraction data and do provide distinct structural information even when significant perturbations to the data exist. (author)

  11. Flexible and Cellulose-based Organic Electronics

    OpenAIRE

    Edberg, Jesper

    2017-01-01

    Organic electronics is the study of organic materials with electronic functionality and the applications of such materials. In the 1970s, the discovery that polymers can be made electrically conductive led to an explosion within this field which has continued to grow year by year. One of the attractive features of organic electronic materials is their inherent mechanical flexibility, which has led to the development of numerous flexible electronics technologies such as organic light emitting ...

  12. The short and long term effects of intraoperative electron beam radiotherapy (IORT) on thoracic organs after pneumonectomy an experimental study in the canine model

    NARCIS (Netherlands)

    de Boer, Willem; Mehta, DM; Timens, W; Hoekstra, HJ

    1999-01-01

    Purpose: The tolerance of mediastinal structures and thoracic organs to intraoperative radiotherapy (IORT) was investigated in the canine model. Methods and Materials: Twenty-two adult beagles divided into three groups were subjected to a left pneumonectomy and IORT (10 MeV electrons) at doses of 20

  13. Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

    KAUST Repository

    Sun, Haitao

    2016-05-16

    We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal-phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials.

  14. Spiers memorial lecture. Organic electronics: an organic materials perspective.

    Science.gov (United States)

    Wudl, Fred

    2014-01-01

    This Introductory Lecture is intended to provide a background to Faraday Discussion 174: "Organic Photonics and Electronics" and will consist of a chronological, subjective review of organic electronics. Starting with "ancient history" (1888) and history (1950-present), the article will take us to the present. The principal developments involved the processes of charge carrier generation and charge transport in molecular solids, starting with insulators (photoconductors) and moving to metals, to semiconductors and ending with the most popular semiconductor devices, such as organic light-emitting diodes (OLEDs), organic field effect transistors (OFETs) and organic photovoltaics (OPVs). The presentation will be from an organic chemistry/materials point of view.

  15. 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.

  16. Ordered materials for organic electronics and photonics.

    Science.gov (United States)

    O'Neill, Mary; Kelly, Stephen M

    2011-02-01

    We present a critical review of semiconducting/light emitting, liquid crystalline materials and their use in electronic and photonic devices such as transistors, photovoltaics, OLEDs and lasers. We report that annealing from the mesophase improves the order and packing of organic semiconductors to produce state-of-the-art transistors. We discuss theoretical models which predict how charge transport and light emission is affected by the liquid crystalline phase. Organic photovoltaics and OLEDs require optimization of both charge transport and optical properties and we identify the various trade-offs involved for ordered materials. We report the crosslinking of reactive mesogens to give pixellated full-colour OLEDs and distributed bi-layer photovoltaics. We show how the molecular organization inherent to the mesophase can control the polarization of light-emitting devices and the gain in organic, thin-film lasers and can also provide distributed feedback in chiral nematic mirrorless lasers. We update progress on the surface alignment of liquid crystalline semiconductors to obtain monodomain devices without defects or devices with spatially varying properties. Finally the significance of all of these developments is assessed. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Organic electronics emerging concepts and technologies

    CERN Document Server

    Santato, Clara

    2013-01-01

    An overview of the tremendous potential of organic electronics, concentrating on those emerging topics and technologies that will form the focus of research over the next five to ten years. The young and energetic team of editors with an excellent research track record has brought together internationally renowned authors to review up-and-coming topics, some for the first time, such as organic spintronics, iontronics, light emitting transistors, organic sensors and advanced structural analysis. As a result, this book serves the needs of experienced researchers in organic electronics, graduate

  18. Noncovalent Interactions in Organic Electronic Materials

    KAUST Repository

    Ravva, Mahesh Kumar; Risko, Chad; Bredas, Jean-Luc

    2017-01-01

    In this chapter, we provide an overview of how noncovalent interactions, determined by the chemical structure of π-conjugated molecules and polymers, govern essential aspects of the electronic, optical, and mechanical characteristics of organic

  19. Thiazole-based organic semiconductors for organic electronics.

    Science.gov (United States)

    Lin, Yuze; Fan, Haijun; Li, Yongfang; Zhan, Xiaowei

    2012-06-19

    Over the past two decades, organic semiconductors have been the subject of intensive academic and commercial interests. Thiazole is a common electron-accepting heterocycle due to electron-withdrawing nitrogen of imine (C=N), several moieties based on thiazole have been widely introduced into organic semiconductors, and yielded high performance in organic electronic devices. This article reviews recent developments in the area of thiazole-based organic semiconductors, particularly thiazole, bithiazole, thiazolothiazole and benzobisthiazole-based small molecules and polymers, for applications in organic field-effect transistors, solar cells and light-emitting diodes. The remaining problems and challenges, and the key research direction in near future are discussed. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Advanced organics for electronic substrates and packages

    CERN Document Server

    Fletcher, Andrew E

    1992-01-01

    Advanced Organics for Electronic Substrates and Packages provides information on packaging, which is one of the most technologically intensive activities in the electronics industry. The electronics packaging community has realized that while semiconductor devices continue to be improved upon for performance, cost, and reliability, it is the interconnection or packaging of these devices that will limit the performance of the systems. Technology must develop packaging for transistor chips, with high levels of performance and integration providing cooling, power, and interconnection, and yet pre

  1. Noncovalent Interactions in Organic Electronic Materials

    KAUST Repository

    Ravva, Mahesh Kumar

    2017-06-29

    In this chapter, we provide an overview of how noncovalent interactions, determined by the chemical structure of π-conjugated molecules and polymers, govern essential aspects of the electronic, optical, and mechanical characteristics of organic semiconductors. We begin by describing general aspects of materials design, including the wide variety of chemistries exploited to control the electronic and optical properties of these materials. We then discuss explicit examples of how the study of noncovalent interactions can provide deeper chemical insights that can improve the design of new generations of organic electronic materials.

  2. Optical Conductivity in a Two-Dimensional Extended Hubbard Model for an Organic Dirac Electron System α-(BEDT-TTF2I3

    Directory of Open Access Journals (Sweden)

    Daigo Ohki

    2018-03-01

    Full Text Available The optical conductivity in the charge order phase is calculated in the two-dimensional extended Hubbard model describing an organic Dirac electron system α -(BEDT-TTF 2 I 3 using the mean field theory and the Nakano-Kubo formula. Because the interband excitation is characteristic in a two-dimensional Dirac electron system, a peak structure is found above the charge order gap. It is shown that the peak structure originates from the Van Hove singularities of the conduction and valence bands, where those singularities are located at a saddle point between two Dirac cones in momentum space. The frequency of the peak structure exhibits drastic change in the vicinity of the charge order transition.

  3. Organic High Electron Mobility Transistors Realized by 2D Electron Gas.

    Science.gov (United States)

    Zhang, Panlong; Wang, Haibo; Yan, Donghang

    2017-09-01

    A key breakthrough in inorganic modern electronics is the energy-band engineering that plays important role to improve device performance or develop novel functional devices. A typical application is high electron mobility transistors (HEMTs), which utilizes 2D electron gas (2DEG) as transport channel and exhibits very high electron mobility over traditional field-effect transistors (FETs). Recently, organic electronics have made very rapid progress and the band transport model is demonstrated to be more suitable for explaining carrier behavior in high-mobility crystalline organic materials. Therefore, there emerges a chance for applying energy-band engineering in organic semiconductors to tailor their optoelectronic properties. Here, the idea of energy-band engineering is introduced and a novel device configuration is constructed, i.e., using quantum well structures as active layers in organic FETs, to realize organic 2DEG. Under the control of gate voltage, electron carriers are accumulated and confined at quantized energy levels, and show efficient 2D transport. The electron mobility is up to 10 cm 2 V -1 s -1 , and the operation mechanisms of organic HEMTs are also argued. Our results demonstrate the validity of tailoring optoelectronic properties of organic semiconductors by energy-band engineering, offering a promising way for the step forward of organic electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Peptide π-Electron Conjugates: Organic Electronics for Biology?

    Science.gov (United States)

    Ardoña, Herdeline Ann M; Tovar, John D

    2015-12-16

    Highly ordered arrays of π-conjugated molecules are often viewed as a prerequisite for effective charge-transporting materials. Studies involving these materials have traditionally focused on organic electronic devices, with more recent emphasis on biological systems. In order to facilitate the transition to biological environments, biomolecules that can promote hierarchical ordering and water solubility are often covalently appended to the π-electron unit. This review highlights recent work on π-conjugated systems bound to peptide moieties that exhibit self-assembly and aims to provide an overview on the development and emerging applications of peptide-based supramolecular π-electron systems.

  5. Molecular characterization of organic electronic films.

    Science.gov (United States)

    DeLongchamp, Dean M; Kline, R Joseph; Fischer, Daniel A; Richter, Lee J; Toney, Michael F

    2011-01-18

    Organic electronics have emerged as a viable competitor to amorphous silicon for the active layer in low-cost electronics. The critical performance of organic electronic materials is closely related to their morphology and molecular packing. Unlike their inorganic counterparts, polymers combine complex repeat unit structure and crystalline disorder. This combination prevents any single technique from being able to uniquely solve the packing arrangement of the molecules. Here, a general methodology for combining multiple, complementary techniques that provide accurate unit cell dimensions and molecular orientation is described. The combination of measurements results in a nearly complete picture of the organic film morphology. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Organic electronic devices using phthalimide compounds

    Science.gov (United States)

    Hassan, Azad M.; Thompson, Mark E.

    2010-09-07

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  7. Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

    KAUST Repository

    Sun, Haitao; Ryno, Sean; Zhong, Cheng; Ravva, Mahesh Kumar; Sun, Zhenrong; Kö rzdö rfer, Thomas; Bredas, Jean-Luc

    2016-01-01

    We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range

  8. Organic ferroelectric opto-electronic memories

    NARCIS (Netherlands)

    Asadi, K.; Li, M.; Blom, P.W.M.; Kemerink, M.; Leeuw, D.M. de

    2011-01-01

    Memory is a prerequisite for many electronic devices. Organic non-volatile memory devices based on ferroelectricity are a promising approach towards the development of a low-cost memory technology based on a simple cross-bar array. In this review article we discuss the latest developments in this

  9. Geometrical model for the electron

    International Nuclear Information System (INIS)

    El-Sherbini, T.M.

    1985-07-01

    A model for an electron of finite dimensions is proposed. This model disregards the concept of electronic charge and leads to Bohr's frequency formula for the hydrogen atom and to Maxwell's equations for electromagnetic fields. The stability of a free electron under the action of centrifugal and transverse forces is discussed. (author)

  10. Electronic processes in organic electronics bridging nanostructure, electronic states and device properties

    CERN Document Server

    Kudo, Kazuhiro; Nakayama, Takashi; Ueno, Nobuo

    2015-01-01

    The book covers a variety of studies of organic semiconductors, from fundamental electronic states to device applications, including theoretical studies. Furthermore, innovative experimental techniques, e.g., ultrahigh sensitivity photoelectron spectroscopy, photoelectron yield spectroscopy, spin-resolved scanning tunneling microscopy (STM), and a material processing method with optical-vortex and polarization-vortex lasers, are introduced. As this book is intended to serve as a textbook for a graduate level course or as reference material for researchers in organic electronics and nanoscience from electronic states, fundamental science that is necessary to understand the research is described. It does not duplicate the books already written on organic electronics, but focuses mainly on electronic properties that arise from the nature of organic semiconductors (molecular solids). The new experimental methods introduced in this book are applicable to various materials (e.g., metals, inorganic and organic mater...

  11. Organic structures design applications in optical and electronic devices

    CERN Document Server

    Chow, Tahsin J

    2014-01-01

    ""Presenting an overview of the syntheses and properties of organic molecules and their applications in optical and electronic devices, this book covers aspects concerning theoretical modeling for electron transfer, solution-processed micro- and nanomaterials, donor-acceptor cyclophanes, molecular motors, organogels, polyazaacenes, fluorogenic sensors based on calix[4]arenes, and organic light-emitting diodes. The publication of this book is timely because these topics have become very popular nowadays. The book is definitely an excellent reference for scientists working in these a

  12. Organ Procurement Organizations and the Electronic Health Record.

    Science.gov (United States)

    Howard, R J; Cochran, L D; Cornell, D L

    2015-10-01

    The adoption of electronic health records (EHRs) has adversely affected the ability of organ procurement organizations (OPOs) to perform their federally mandated function of honoring the donation decisions of families and donors who have signed the registry. The difficulties gaining access to potential donor medical record has meant that assessment, evaluation, and management of brain dead organ donors has become much more difficult. Delays can occur that can lead to potential recipients not receiving life-saving organs. For over 40 years, OPO personnel have had ready access to paper medical records. But the widespread adoption of EHRs has greatly limited the ability of OPO coordinators to readily gain access to patient medical records and to manage brain dead donors. Proposed solutions include the following: (1) hospitals could provide limited access to OPO personnel so that they could see only the potential donor's medical record; (2) OPOs could join with other transplant organizations to inform regulators of the problem; and (3) hospital organizations could be approached to work with Center for Medicare and Medicaid Services (CMS) to revise the Hospital Conditions of Participation to require OPOs be given access to donor medical records. © Copyright 2015 The American Society of Transplantation and the American Society of Transplant Surgeons.

  13. Theoretical insights into multiscale electronic processes in organic photovoltaics

    Science.gov (United States)

    Tretiak, Sergei

    Present day electronic devices are enabled by design and implementation of precise interfaces that control the flow of charge carriers. This requires robust and predictive multiscale approaches for theoretical description of underlining complex phenomena. Combined with thorough experimental studies such approaches provide a reliable estimate of physical properties of nanostructured materials and enable a rational design of devices. From this perspective I will discuss first principle modeling of small-molecule bulk-heterojunction organic solar cells and push-pull chromophores for tunable-color organic light emitters. The emphasis is on electronic processes involving intra- and intermolecular energy or charge transfer driven by strong electron-phonon coupling inherent to pi-conjugated systems. Finally I will describe how precise manipulation and control of organic-organic interfaces in a photovoltaic device can increase its power conversion efficiency by 2-5 times in a model bilayer system. Applications of these design principles to practical architectures like bulk heterojunction devices lead to an enhancement in power conversion efficiency from 4.0% to 7.0%. These interface manipulation strategies are universally applicable to any donor-acceptor interface, making them both fundamentally interesting and technologically important for achieving high efficiency organic electronic devices.

  14. Electric properties of organic and mineral electronic components, design and modelling of a photovoltaic chain for a better exploitation of the solar energy

    International Nuclear Information System (INIS)

    Aziz, A.

    2006-11-01

    The research carried out in this thesis relates to the mineral, organic electronic components and the photovoltaic systems. Concerning the mineral semiconductors, we modelled the conduction properties of the structures metal/oxide/semiconductor (MOS) strongly integrated in absence and in the presence of charges. We proposed a methodology allowing characterizing the ageing of structures MOS under injection of the Fowler Nordheim (FN) current type. Then, we studied the Schottky diodes in polymers of type metal/polymer/metal. We concluded that: The mechanism of the charges transfer, through the interface metal/polymer, is allotted to the thermo-ionic effect and could be affected by the lowering of the potential barrier to the interface metal/polymer. In the area of photovoltaic energy, we conceived and modelled a photovoltaic system of average power (100 W). We showed that the adaptation of the generator to the load allows a better exploitation of solar energy. This is carried out by the means of the converters controlled by an of type MPPT control provided with a detection circuit of dysfunction and restarting of the system. (author)

  15. Applications of laser printing for organic electronics

    Science.gov (United States)

    Delaporte, Ph.; Ainsebaa, A.; Alloncle, A.-P.; Benetti, M.; Boutopoulos, C.; Cannata, D.; Di Pietrantonio, F.; Dinca, V.; Dinescu, M.; Dutroncy, J.; Eason, R.; Feinaugle, M.; Fernández-Pradas, J.-M.; Grisel, A.; Kaur, K.; Lehmann, U.; Lippert, T.; Loussert, C.; Makrygianni, M.; Manfredonia, I.; Mattle, T.; Morenza, J.-L.; Nagel, M.; Nüesch, F.; Palla-Papavlu, A.; Rapp, L.; Rizvi, N.; Rodio, G.; Sanaur, S.; Serra, P.; Shaw-Stewart, J.; Sones, C. L.; Verona, E.; Zergioti, I.

    2013-03-01

    The development of organic electronic requires a non contact digital printing process. The European funded e-LIFT project investigated the possibility of using the Laser Induced Forward Transfer (LIFT) technique to address this field of applications. This process has been optimized for the deposition of functional organic and inorganic materials in liquid and solid phase, and a set of polymer dynamic release layer (DRL) has been developed to allow a safe transfer of a large range of thin films. Then, some specific applications related to the development of heterogeneous integration in organic electronics have been addressed. We demonstrated the ability of LIFT process to print thin film of organic semiconductor and to realize Organic Thin Film Transistors (OTFT) with mobilities as high as 4 10-2 cm2.V-1.s-1 and Ion/Ioff ratio of 2.8 105. Polymer Light Emitting Diodes (PLED) have been laser printed by transferring in a single step process a stack of thin films, leading to the fabrication of red, blue green PLEDs with luminance ranging from 145 cd.m-2 to 540 cd.m-2. Then, chemical sensors and biosensors have been fabricated by printing polymers and proteins on Surface Acoustic Wave (SAW) devices. The ability of LIFT to transfer several sensing elements on a same device with high resolution allows improving the selectivity of these sensors and biosensors. Gas sensors based on the deposition of semiconducting oxide (SnO2) and biosensors for the detection of herbicides relying on the printing of proteins have also been realized and their performances overcome those of commercial devices. At last, we successfully laser-printed thermoelectric materials and realized microgenerators for energy harvesting applications.

  16. Non-fullerene electron acceptors for organic photovoltaic devices

    Energy Technology Data Exchange (ETDEWEB)

    Jenekhe, Samson A.; Li, Haiyan; Earmme, Taeshik; Ren, Guoqiang

    2017-11-07

    Non-fullerene electron acceptors for highly efficient organic photovoltaic devices are described. The non-fullerene electron acceptors have an extended, rigid, .pi.-conjugated electron-deficient framework that can facilitate exciton and charge derealization. The non-fullerene electron acceptors can physically mix with a donor polymer and facilitate improved electron transport. The non-fullerene electron acceptors can be incorporated into organic electronic devices, such as photovoltaic cells.

  17. Contorted Organic Semiconductors for Molecular Electronics

    Science.gov (United States)

    Zhong, Yu

    This thesis focuses on the synthesis, properties and applications of two types of contorted organic molecules: contorted molecular ribbons and conjugated corrals. We utilized the power of reaction chemistry to writing information into conjugated molecules with contorted structures and studied "structure-property" relationships. The unique properties of the molecules were expressed in electronic and optoelectronic devices such as field-effect transistors, solar cells, photodetectors, etc. In Chapter 2, I describe the design and synthesis of a new graphene ribbon architecture that consists of perylenediimide (PDI) subunits fused together by ethylene bridges. We created a prototype series of oligomers consisting of the dimer, trimer, and tetramer. The steric congestion at the fusion point between the PDI units creates helical junctions, and longer oligomers form helical ribbons. Thin films of these oligomers form the active layer in n-type field effect transistors. UV-vis spectroscopy reveals the emergence of an intense long-wavelength transition in the tetramer. From DFT calculations, we find that the HOMO-2 to LUMO transition is isoenergetic with the HOMO to LUMO transition in the tetramer. We probe these transitions directly using femtosecond transient absorption spectroscopy. The HOMO-2 to LUMO transition electronically connects the PDI subunits with the ethylene bridges, and its energy depends on the length of the oligomer. In Chapter 3, I describe an efficiency of 6.1% for a solution processed non-fullerene solar cell using a helical PDI dimer as the electron acceptor. Femtosecond transient absorption spectroscopy revealed both electron and hole transfer processes at the donor-acceptor interfaces, indicating that charge carriers are created from photogenerated excitons in both the electron donor and acceptor phases. Light-intensity-dependent current?voltage measurements suggested different recombination rates under short-circuit and open-circuit conditions. In

  18. The short and long term effects of intraoperative electron beam radiotherapy (IORT) on thoracic organs after pneumonectomy an experimental study in the canine model

    International Nuclear Information System (INIS)

    Boer, Willem J. de; Mehta, Dinesh M.; Timens, Wim; Hoekstra, Harald J.

    1999-01-01

    Purpose: The tolerance of mediastinal structures and thoracic organs to intraoperative radiotherapy (IORT) was investigated in the canine model. Methods and Materials: Twenty-two adult beagles divided into three groups were subjected to a left pneumonectomy and IORT (10 MeV electrons) at doses of 20 Gy (n = 9), 25 Gy (n = 4), or 30 Gy (n = 9). Intraoperative electron beam radiotherapy was delivered through a 5 cm circular lucite cone encompassing a mediastinal field including the bronchial stump, aorta, esophagus, heart, phrenic nerve, contralateral hilar structures, and lung. Clinical monitoring was performed with regular chest X-ray, ECG, bronchoscopy, esofagoscopy, and fluoroscopy. From the different treatment dose groups, dogs were electively sacrificed at 1.5, 6, 12, and 72 months with complete autopsies. Results: There was no bronchial stump dehiscence or acute morbidity. Four dogs developed radiation induced esophagitis (18%), one in the 20 Gy IORT group (11%) and three in the 30 Gy IORT group (33%). There were six IORT related mortalities (27.5%), one esophagoaortic fistula (4.5%) and five bronchovascular fistulas (23%): two in the 20 Gy IORT group (22%), two in the 25 Gy IORT group (50%) and two in the 30 Gy IORT group (22%). Histopathological findings in uncomplicated follow-up showed marked myointimal fibrosis in the muscular arteries, submucosal fibrosis of the esophagus, and interstitial fibrosis of bronchial and lung tissue, especially in the higher dose group. Conclusion: The mediastinal vascular, bronchial and esophageal structures are relatively sensitive to doses > 20Gy IORT. The IORT related morbidity found in this study may be lower when the current clinically used IORT doses of 10-15 Gy are applied. Further clinical application of IORT in the future treatment strategies for resectable non small cell lung cancer may be worthwhile to investigate

  19. n-Type organic semiconductors in organic electronics.

    Science.gov (United States)

    Anthony, John E; Facchetti, Antonio; Heeney, Martin; Marder, Seth R; Zhan, Xiaowei

    2010-09-08

    Organic semiconductors have been the subject of intensive academic and commercial interest over the past two decades, and successful commercial devices incorporating them are slowly beginning to enter the market. Much of the focus has been on the development of hole transporting, or p-type, semiconductors that have seen a dramatic rise in performance over the last decade. Much less attention has been devoted to electron transporting, or so called n-type, materials, and in this paper we focus upon recent developments in several classes of n-type materials and the design guidelines used to develop them.

  20. Nonadiabatic dynamics of electron injection into organic molecules

    International Nuclear Information System (INIS)

    Zhu Li-Ping; Qiu Yu; Tong Guo-Ping

    2012-01-01

    We numerically investigate the injection process of electrons from metal electrodes to one-dimensional organic molecules by combining the extended Su—Schrieffer—Heeger (SSH) model with a nonadiabatic dynamics method. It is found that a match between the Fermi level of electrodes and the highest occupied molecular orbital (HOMO) or the lowest unoccupied molecular orbital (LUMO) of organic molecules can be greatly affected by the length of the organic chains, which has a great impact on electron injection. The correlation between oligomers and electrodes is found to open more efficient channels for electron injection as compared with that in polymer/electrode structures. For oligomer/electrode structures, we show that the Schottky barrier essentially does not affect the electron injection as the electrode work function is smaller than a critical value. This means that the Schottky barrier is pinned for a small work-function electrode. For polymer/electrode structures, we find that it is possible for the Fermi level of electrodes to be pinned to the polaronic level. The condition under which the Fermi level of electrodes exceeds the polaronic level of polymers is shown to not always lead to spontaneous electron transfer from electrodes to polymers. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  1. Centimetre-scale electron diffusion in photoactive organic heterostructures

    Science.gov (United States)

    Burlingame, Quinn; Coburn, Caleb; Che, Xiaozhou; Panda, Anurag; Qu, Yue; Forrest, Stephen R.

    2018-02-01

    The unique properties of organic semiconductors, such as flexibility and lightness, are increasingly important for information displays, lighting and energy generation. But organics suffer from both static and dynamic disorder, and this can lead to variable-range carrier hopping, which results in notoriously poor electrical properties, with low electron and hole mobilities and correspondingly short charge-diffusion lengths of less than a micrometre. Here we demonstrate a photoactive (light-responsive) organic heterostructure comprising a thin fullerene channel sandwiched between an electron-blocking layer and a blended donor:C70 fullerene heterojunction that generates charges by dissociating excitons. Centimetre-scale diffusion of electrons is observed in the fullerene channel, and this can be fitted with a simple electron diffusion model. Our experiments enable the direct measurement of charge diffusivity in organic semiconductors, which is as high as 0.83 ± 0.07 square centimetres per second in a C60 channel at room temperature. The high diffusivity of the fullerene combined with the extraordinarily long charge-recombination time yields diffusion lengths of more than 3.5 centimetres, orders of magnitude larger than expected for an organic system.

  2. Regulating plant physiology with organic electronics.

    Science.gov (United States)

    Poxson, David J; Karady, Michal; Gabrielsson, Roger; Alkattan, Aziz Y; Gustavsson, Anna; Doyle, Siamsa M; Robert, Stéphanie; Ljung, Karin; Grebe, Markus; Simon, Daniel T; Berggren, Magnus

    2017-05-02

    The organic electronic ion pump (OEIP) provides flow-free and accurate delivery of small signaling compounds at high spatiotemporal resolution. To date, the application of OEIPs has been limited to delivery of nonaromatic molecules to mammalian systems, particularly for neuroscience applications. However, many long-standing questions in plant biology remain unanswered due to a lack of technology that precisely delivers plant hormones, based on cyclic alkanes or aromatic structures, to regulate plant physiology. Here, we report the employment of OEIPs for the delivery of the plant hormone auxin to induce differential concentration gradients and modulate plant physiology. We fabricated OEIP devices based on a synthesized dendritic polyelectrolyte that enables electrophoretic transport of aromatic substances. Delivery of auxin to transgenic Arabidopsis thaliana seedlings in vivo was monitored in real time via dynamic fluorescent auxin-response reporters and induced physiological responses in roots. Our results provide a starting point for technologies enabling direct, rapid, and dynamic electronic interaction with the biochemical regulation systems of plants.

  3. Lipid Bilayer Formation on Organic Electronic Materials

    KAUST Repository

    Zhang, Yi

    2018-04-23

    The lipid bilayer is the elemental structure of cell membrane, forming a stable barrier between the interior and exterior of the cell while hosting membrane proteins that enable selective transport of biologically important compounds and cellular recognition. Monitoring the quality and function of lipid bilayers is thus essential and can be performed using electrically active substrates that allow for transduction of signals. Such a promising electronic transducer material is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS) which has provided a plethora of novel bio transducing architectures. The challenge is however in assembling a bilayer on the conducting polymer surface, which is defect-free and has high mobility. Herein, we investigate the fusion of zwitterionic vesicles on a variety of PEDOT:PSS films, but also on an electron transporting, negatively charged organic semiconductor, in order to understand the surface properties that trigger vesicle fusion. The PEDOT:PSS films are prepared from dispersions containing different concentrations of ethylene glycol included as a formulation additive, which gives a handle to modulate surface physicochemical properties without a compromise on the chemical composition. The strong correlation between the polarity of the surface, the fusion of vesicles and the mobility of the resulting bilayer aides extracting design principles for the development of future conducting polymers that will enable the formation of lipid bilayers.

  4. Islamic electronic trading platform on organized exchange

    Directory of Open Access Journals (Sweden)

    Ahmet Suayb Gundogdu

    2016-12-01

    Full Text Available Today Islamic finance industry is under severe criticism, particularly, concerning liquidity management practices of treasury departments. Since cash lending is not possible under Islamic Shari'ah, Islamic banks tend to use securitized asset related schemes which are by no means neither acceptable under Islamic finance jurisprudence nor compliant with Maqasiq Al-Shari'ah. Maqasid Al-Shariah oversees economic activities which produce wealth and prosperity for all members of society to empower any member with certain level of belongings to bestow freedom while condemning inequality. Under this wider aim of Maqasid Al-Shari'ah, this paper presents alternative state-of-art Shari'ah compliant products, which is used in international trade finance, to be migrated to electronic trading platform under organized exchange in pursuit of replacing controversial liquidity management products. Besides, this paper introduces Islamic Commodity Future Contract, derived from asset backed Murabaha, with physical delivery as an alternative liquidity management tool for Islamic FIs and hedging tool for companies.

  5. Progresses in organic field-effect transistors and molecular electronics

    Institute of Scientific and Technical Information of China (English)

    Wu Weiping; Xu Wei; Hu Wenping; Liu Yunqi; Zhu Daoben

    2006-01-01

    In the past years,organic semiconductors have been extensively investigated as electronic materials for organic field-effect transistors (OFETs).In this review,we briefly summarize the current status of organic field-effect transistors including materials design,device physics,molecular electronics and the applications of carbon nanotubes in molecular electronics.Future prospects and investigations required to improve the OFET performance are also involved.

  6. Printed Dielectric Mirrors and their Application in Organic Electronics

    OpenAIRE

    Bronnbauer, Carina

    2017-01-01

    Organic electronics are one of the future technologies of these days. It offers many advantages in comparison to heavy metal based inorganic electronics. For example, organic electronics are available in various colors, are often semitransparent, they can be fully solution processed and thus allow printing on top of rigid as well as on flexible substrates. All these characteristics enable a complete new area of applications for electronics. For example, the integration of semitransparent phot...

  7. An Organic Mixed Ion-Electron Conductor for Power Electronics

    DEFF Research Database (Denmark)

    Malti, Abdellah; Edberg, Jesper; Granberg, Hjalmar

    2016-01-01

    A mixed ionic–electronic conductor based on nanofibrillated cellulose composited with poly(3,4-ethylene-dioxythio­phene):­poly(styrene-sulfonate) along with high boiling point solvents is demonstrated in bulky electrochemical devices. The high electronic and ionic conductivities of the resulting...

  8. An Organic Mixed Ion–Electron Conductor for Power Electronics

    DEFF Research Database (Denmark)

    Malti, Abdellah; Edberg, Jesper; Granberg, Hjalmar

    2016-01-01

    A mixed ionic–electronic conductor based on nanofibrillated cellulose composited with poly(3,4-ethylene-dioxythio­phene):­poly(styrene-sulfonate) along with high boiling point solvents is demonstrated in bulky electrochemical devices. The high electronic and ionic conductivities of the resulting...

  9. Modeling Incoherent Electron Cloud Effects

    International Nuclear Information System (INIS)

    Vay, Jean-Luc; Benedetto, E.; Fischer, W.; Franchetti, G.; Ohmi, K.; Schulte, D.; Sonnad, K.; Tomas, R.; Vay, J.-L.; Zimmermann, F.; Rumolo, G.; Pivi, M.; Raubenheimer, T.

    2007-01-01

    Incoherent electron effects could seriously limit the beam lifetime in proton or ion storage rings, such as LHC, SPS, or RHIC, or blow up the vertical emittance of positron beams, e.g., at the B factories or in linear-collider damping rings. Different approaches to modeling these effects each have their own merits and drawbacks. We describe several simulation codes which simplify the descriptions of the beam-electron interaction and of the accelerator structure in various different ways, and present results for a toy model of the SPS. In addition, we present evidence that for positron beams the interplay of incoherent electron-cloud effects and synchrotron radiation can lead to a significant increase in vertical equilibrium emittance. The magnitude of a few incoherent e+e- scattering processes is also estimated. Options for future code development are reviewed

  10. Elucidation and control of electronic properties related to organic semiconductors

    International Nuclear Information System (INIS)

    Yamane, Hiroyuki; Ueno, Nobuo; Seki, Kazuhiko

    2009-01-01

    The electronic structure of organic solids and interfaces plays a crucial role in the performance of optoelectronic devices using organic semiconductors such as light-emitting diodes, field-effect transistors, and photovoltaic cells. The functionality of these organic devices is seriously dominated by the geometric structure, which varies depending on the molecular structure and the sample preparation condition. Due to the rapid progress in sample preparation methods and surface science techniques, we can now discuss in detail the correlation of the electronic structure with the geometric structure of organic solids, films, and interfaces. This paper reviews the recent progress of studies in the geometric and electronic structures related to organic semiconductors. (author)

  11. Special issue on recent progress in organic electronics and photonics

    Institute of Scientific and Technical Information of China (English)

    Fei Huang; Yong Cao

    2017-01-01

    Organic electronic and photonic devices have received tremendous attention from both academia and industry because of their great promise for practical use as organic light-emitting diodes(OLEDs),organic solar cells(OSCs),organic field-effect transistors(OFETs),and chemical and biological sensors.During the past decade,remarkable pro-

  12. The WSPC Reference on Organic Electronics: Organic Semiconductors

    KAUST Repository

    Bredas, Jean-Luc; Marder, Seth R

    2015-01-01

    In this chapter, we provide a basic theoretical perspective on charge-carrier transport in organic semiconductors, with a focus on organic molecular crystals. We introduce the microscopic parameters relevant to the intrinsic charge

  13. Teaching Chemistry with Electron Density Models

    Science.gov (United States)

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-07-01

    Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.

  14. Amorphous electron-accepting materials for organic optoelectronics

    NARCIS (Netherlands)

    Ganesan, P.

    2007-01-01

    The importance of organic materials for use in electronic devices such as OLEDs, OFETs and photovoltaic cells has increased significantly over the past decade. Organic materials have been attractive candidates for such electronic devices because of their compatibility with high-throughput,

  15. Organic-based molecular switches for molecular electronics.

    Science.gov (United States)

    Fuentes, Noelia; Martín-Lasanta, Ana; Alvarez de Cienfuegos, Luis; Ribagorda, Maria; Parra, Andres; Cuerva, Juan M

    2011-10-05

    In a general sense, molecular electronics (ME) is the branch of nanotechnology which studies the application of molecular building blocks for the fabrication of electronic components. Among the different types of molecules, organic compounds have been revealed as promising candidates for ME, due to the easy access, great structural diversity and suitable electronic and mechanical properties. Thanks to these useful capabilities, organic molecules have been used to emulate electronic devices at the nanoscopic scale. In this feature article, we present the diverse strategies used to develop organic switches towards ME with special attention to non-volatile systems.

  16. Structural complexities in the active layers of organic electronics.

    Science.gov (United States)

    Lee, Stephanie S; Loo, Yueh-Lin

    2010-01-01

    The field of organic electronics has progressed rapidly in recent years. However, understanding the direct structure-function relationships between the morphology in electrically active layers and the performance of devices composed of these materials has proven difficult. The morphology of active layers in organic electronics is inherently complex, with heterogeneities existing across multiple length scales, from subnanometer to micron and millimeter range. A major challenge still facing the organic electronics community is understanding how the morphology across all of the length scales in active layers collectively determines the device performance of organic electronics. In this review we highlight experiments that have contributed to the elucidation of structure-function relationships in organic electronics and also point to areas in which knowledge of such relationships is still lacking. Such knowledge will lead to the ability to select active materials on the basis of their inherent properties for the fabrication of devices with prespecified characteristics.

  17. The WSPC Reference on Organic Electronics: Organic Semiconductors

    KAUST Repository

    Bredas, Jean-Luc

    2015-05-12

    In this chapter, we provide a basic theoretical perspective on charge-carrier transport in organic semiconductors, with a focus on organic molecular crystals. We introduce the microscopic parameters relevant to the intrinsic charge-transport properties of these materials and describe some of the common quantum-chemical approaches used for their evaluation. We also discuss the nature of the possible charge-transport mechanisms in organic molecular crystals.

  18. Optical electronics self-organized integration and applications

    CERN Document Server

    Yoshimura, Tetsuzo

    2012-01-01

    IntroductionFrom Electronics to Optical ElectronicsAnalysis Tools for Optical CircuitsSelf-Organized Optical Waveguides: Theoretical AnalysisSelf-Organized Optical Waveguides: Experimental DemonstrationsOptical Waveguide Films with Vertical Mirrors 3-D Optical Circuits with Stacked Waveguide Films Heterogeneous Thin-Film Device IntegrationOptical Switches OE Hardware Built by Optical ElectronicsIntegrated Solar Energy Conversion SystemsFuture Challenges.

  19. In plane optical sensor based on organic electronic devices

    NARCIS (Netherlands)

    Koetse, M.M; Rensing, P.A.; Heck, G.T. van; Sharpe, R.B.A.; Allard, B.A.M.; Wieringa, F.P.; Kruijt, P.G.M.; Meulendijks, N.M.M.; Jansen, H.; Schoo, H.F.M.

    2008-01-01

    Sensors based on organic electronic devices are emerging in a wide range of application areas. Here we present a sensor platform using organic light emitting diodes (OLED) and organic photodiodes (OPD) as active components. By means of lamination and interconnection technology the functional foils

  20. Dihydropyrroloindoledione-based copolymers for organic electronics

    NARCIS (Netherlands)

    Rumer, JW; Dai, SY; Levick, M; Young Kim, Young; Madec, MB; Ashraf, R.S.; Huang, Z.; Rossbauer, S; Schroeder, B.; Biniek, L; Watkins, S.E.; Anthopoulos, T.D.; Janssen, R.A.J.; Durrant, J.R.; Procter, DJ; McCulloch, I.

    2013-01-01

    A series of four dihydropyrroloindoledione-based organic semi-conducting polymers are examined for performance in transistor and photovoltaic cell devices. The dihydropyrroloindoledione unit was alternately copolymerized with phenyl, thiophene and bithiophene comonomers, and the resultant polymers

  1. Energy level alignment and electron transport through metal/organic contacts. From interfaces to molecular electronics

    Energy Technology Data Exchange (ETDEWEB)

    Abad, Enrique

    2013-07-01

    A new calculational approach to describing metal/organic interfaces. A valuable step towards a better understanding of molecular electronics. Nominated as an outstanding contribution by the Autonomous University of Madrid. In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Traditional methods based on density functional theory (DFT), are not appropriate for analyzing them because they underestimate the organic energy gap and fail to correctly describe the van der Waals forces. Since the size of these systems prohibits the use of more accurate methods, corrections to those DFT drawbacks are desirable. In this work a combination of a standard DFT calculation with the inclusion of the charging energy (U) of the molecule, calculated from first principles, is presented. Regarding the dispersion forces, incorrect long range interaction is substituted by a van der Waals potential. With these corrections, the C60, benzene, pentacene, TTF and TCNQ/Au(111) interfaces are analyzed, both for single molecules and for a monolayer. The results validate the induced density of interface states model.

  2. Electron damage and defects in organic crystals

    International Nuclear Information System (INIS)

    Howitt, D.G.

    1976-06-01

    The nature of the defects discernable from and the radiation damage that is induced by high resolution electron microscopy is reported. The structural aspects of the radiation damage process can be correlated to the expected radiochemical decomposition of these materials and these effects identified. The types of local defect formed by radiation damage are often clearly distinguishable, in high resolution images, from those inherent in the microstructure. Techniques used in this type of electron microscopy and the limitations imposed by radiation damage are described as are the relevant radiochemical characteristics of these processes. In copper pthalocyanine, microstructural features distinct from those induced by radiation damage were identified which are consistent with those predicted and described by other workers in similar materials. The high resolution studies indicate that some of the microstructures observed are caused by structural rearrangements that can account, to some extent, for additional crystallographic forms that have been identified in this material and the photochemical behaviour of related structures

  3. On the electronic structure of Barrelene-based rigid organic donor-acceptor systems. An INDO model study including solvent effects

    International Nuclear Information System (INIS)

    Fox, T.; Kotzian, M.; Roesch, N.

    1992-01-01

    The authors present an INDO/S Molecular-orbital investigation of organic molecules containing a barrelene moiety that provides a rigid link between an aromatic donor and a maleic ester acceptor group. Molecules of this type have recently been synthesized and characterized spectroscopically. The authors discuss the ground state and various excited states both in vacuo and in solution. Solvent effects are incorporated by use of an electrostatic cavity model which is not restricted to a spherical cavity, but allows for a cavity shape that is adapted to the solute molecule. The calculations indicate low-lying charge-transfer (CT) excitations in the region of the first aromatic transitions, even in the gas phase

  4. Recent progress in organic electronics and photonics: A perspective on the future of organic devices

    KAUST Repository

    Bredas, Jean-Luc

    2016-01-01

    The fields of organic electronics and photonics have witnessed remarkable advances over the past few years. This progress bodes well for the increased utilization of organic materials as the active layers in devices for applications as diverse

  5. Probing dynamic interfaces in organic electronics

    NARCIS (Netherlands)

    Mathijssen, S.G.J.

    2010-01-01

    Organic semiconductors are emerging in solar cells, photodetectors, light-emitting diodes and field-effect transistors. The main advantages are the electrical transport properties that can be tailored by chemical design, and their mechanical flexibility. Applications are foreseen in the field of

  6. Electronic self-organization in layered transition metal dichalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Ritschel, Tobias

    2015-10-30

    The interplay between different self-organized electronically ordered states and their relation to unconventional electronic properties like superconductivity constitutes one of the most exciting challenges of modern condensed matter physics. In the present thesis this issue is thoroughly investigated for the prototypical layered material 1T-TaS{sub 2} both experimentally and theoretically. At first the static charge density wave order in 1T-TaS{sub 2} is investigated as a function of pressure and temperature by means of X-ray diffraction. These data indeed reveal that the superconductivity in this material coexists with an inhomogeneous charge density wave on a macroscopic scale in real space. This result is fundamentally different from a previously proposed separation of superconducting and insulating regions in real space. Furthermore, the X-ray diffraction data uncover the important role of interlayer correlations in 1T-TaS{sub 2}. Based on the detailed insights into the charge density wave structure obtained by the X-ray diffraction experiments, density functional theory models are deduced in order to describe the electronic structure of 1T-TaS{sub 2} in the second part of this thesis. As opposed to most previous studies, these calculations take the three-dimensional character of the charge density wave into account. Indeed the electronic structure calculations uncover complex orbital textures, which are interwoven with the charge density wave order and cause dramatic differences in the electronic structure depending on the alignment of the orbitals between neighboring layers. Furthermore, it is demonstrated that these orbital-mediated effects provide a route to drive semiconductor-to-metal transitions with technologically pertinent gaps and on ultrafast timescales. These results are particularly relevant for the ongoing development of novel, miniaturized and ultrafast devices based on layered transition metal dichalcogenides. The discovery of orbital textures

  7. Electron-plasmon model in the electron liquid theory

    Directory of Open Access Journals (Sweden)

    M.V.Vavrukh

    2005-01-01

    Full Text Available Here we propose an accurate approach to the description of the electron liquid model in the electron and plasmon terms. Our ideas in the present paper are close to the conception of the collective variables which was developed in the papers of Bohm and Pines. However we use another body of mathematics in the transition to the expanded space of variable particles and plasmons realized by the transition operator. It is evident that in the Random Phase Approximation (RPA, the model which consists of two interactive subsystems of electrons and plasmons is equivalent to the electron liquid model with Coulomb interaction.

  8. Interface Engineering for Organic Electronics; Manufacturing of Hybrid Inorganic-Organic Molecular Crystal Devices

    NARCIS (Netherlands)

    de Veen, P.J.

    2011-01-01

    Organic semiconductors are at the basis of Organic Electronics. Objective of this dissertation is “to fabricate high-quality organic molecular single-crystal devices”, to explore the intrinsic properties of organic semiconductors. To achieve this, the in situ fabrication of complete field-effect

  9. Electronic systems for the organization and planning of school

    OpenAIRE

    Vodová, Alena

    2014-01-01

    TITLE: Electronic systems for the organization and planning of school AUTHOR: Alena Vodová DEPARTMENT: The Center of School management SUPERVISOR: Ing. Petr Svoboda Ph.D. ABSTRACT: The bachelor thesis gives comprehensive overview electronic systems for organization and planning of school. Maps of species, describes their function, demonstrates the benefits, modes and applications to use in school. In the research part individuals system compares between them and validates their use in schools...

  10. Flexible Organic Electronics in Biology: Materials and Devices.

    Science.gov (United States)

    Liao, Caizhi; Zhang, Meng; Yao, Mei Yu; Hua, Tao; Li, Li; Yan, Feng

    2015-12-09

    At the convergence of organic electronics and biology, organic bioelectronics attracts great scientific interest. The potential applications of organic semiconductors to reversibly transmit biological signals or stimulate biological tissues inspires many research groups to explore the use of organic electronics in biological systems. Considering the surfaces of movable living tissues being arbitrarily curved at physiological environments, the flexibility of organic bioelectronic devices is of paramount importance in enabling stable and reliable performances by improving the contact and interaction of the devices with biological systems. Significant advances in flexible organic bio-electronics have been achieved in the areas of flexible organic thin film transistors (OTFTs), polymer electrodes, smart textiles, organic electrochemical ion pumps (OEIPs), ion bipolar junction transistors (IBJTs) and chemiresistors. This review will firstly discuss the materials used in flexible organic bioelectronics, which is followed by an overview on various types of flexible organic bioelectronic devices. The versatility of flexible organic bioelectronics promises a bright future for this emerging area. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Paramagnetic resonance and electronic conduction in organic semiconductors

    International Nuclear Information System (INIS)

    Nechtschein, M.

    1963-01-01

    As some organic bodies simultaneously display semi-conducting properties and a paramagnetism, this report addresses the study of conduction in organic bodies. The author first briefly recalls how relationships between conductibility and Electron Paramagnetic Resonance (EPR) can be noticed in a specific case (mineral and metallic semiconductors). He discusses published results related to paramagnetism and conductibility in organic bodies. He reviews various categories of organic bodies in which both properties are simultaneously present. He notably addresses radical molecular crystals, non-radical molecular crystals, charge transfer complexes, pyrolyzed coals, and pseudo-ferromagnetic organic structures. He discusses the issue of relationships between conduction (charge transfer by electrons) and ERP (which reveals the existence of non-paired electrons which provide free spins)

  12. Development of methods for determining organic free radical structures by electron spin resonance and application to the radiation chemistry of nucleic acid model compounds

    International Nuclear Information System (INIS)

    Fouse, G.W. Jr.

    1977-01-01

    This project was undertaken with the objective of developing more efficient and reliable methods for the analysis of free radicals in organic single crystals. A technique was developed for the rapid calculation of single crystal ESR line positions and intensities. This method, which avoids the time-consuming matrix operations required by conventional methods, has been incorporated into a computer program for determining ESR parameters by the least-squares fitting of digitized ESR spectra. This program has been used to analyze complex spectra arising from a . CH 2 -CH 2 -O-PO 3 H - radical trapped in O-phosphorylethanolamine. A method was developed for the estimation of variance and covariance of eigenvectors and eigenvalues of experimentally-determined tensors. This error analysis is quite general, and may be applied to any tensors which can be determined by the non-linear least-squares fitting of ESR data. Monte-Carlo simulations have been employed to estimate the limitations of the approximation method. This error analysis has been included in the analysis of two phosphite radicals, - O 2 -P-OX, found in single crystals of O-phosphorylethanolamine. To aid in the formulation and evaluation of free radical models, a generalized method for the calculation of theoretically-expected hyperfine coupling tensors for arbitrary radical models was developed. Tensors are calculated for a furan-type radical which may be found in 5' dCMP. These calculated tensors are compared with tensors determined by an ENDOR experiment. Two ENDOR studies were done, one in 5' dCMP, the other in L-asparagine. The observed radical in 5' dCMP is allylic, characterized by coupling to three α-hydrogens. In L-asparagine, the dominant room-temperature radical has the form CO(NH 2 )CHCH(N + H 3 )CO 2 - . In both these studies, a series of molecular orbital calculations were performed as a means of substantiating the postulated radical structures

  13. Toward Environmentally Robust Organic Electronics: Approaches and Applications.

    Science.gov (United States)

    Lee, Eun Kwang; Lee, Moo Yeol; Park, Cheol Hee; Lee, Hae Rang; Oh, Joon Hak

    2017-11-01

    Recent interest in flexible electronics has led to a paradigm shift in consumer electronics, and the emergent development of stretchable and wearable electronics is opening a new spectrum of ubiquitous applications for electronics. Organic electronic materials, such as π-conjugated small molecules and polymers, are highly suitable for use in low-cost wearable electronic devices, and their charge-carrier mobilities have now exceeded that of amorphous silicon. However, their commercialization is minimal, mainly because of weaknesses in terms of operational stability, long-term stability under ambient conditions, and chemical stability related to fabrication processes. Recently, however, many attempts have been made to overcome such instabilities of organic electronic materials. Here, an overview is provided of the strategies developed for environmentally robust organic electronics to overcome the detrimental effects of various critical factors such as oxygen, water, chemicals, heat, and light. Additionally, molecular design approaches to π-conjugated small molecules and polymers that are highly stable under ambient and harsh conditions are explored; such materials will circumvent the need for encapsulation and provide a greater degree of freedom using simple solution-based device-fabrication techniques. Applications that are made possible through these strategies are highlighted. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Virtual Organizations: Trends and Models

    Science.gov (United States)

    Nami, Mohammad Reza; Malekpour, Abbaas

    The Use of ICT in business has changed views about traditional business. With VO, organizations with out physical, geographical, or structural constraint can collaborate with together in order to fulfill customer requests in a networked environment. This idea improves resource utilization, reduces development process and costs, and saves time. Virtual Organization (VO) is always a form of partnership and managing partners and handling partnerships are crucial. Virtual organizations are defined as a temporary collection of enterprises that cooperate and share resources, knowledge, and competencies to better respond to business opportunities. This paper presents an overview of virtual organizations and main issues in collaboration such as security and management. It also presents a number of different model approaches according to their purpose and applications.

  15. Positronium Inhibition and Quenching by Organic Electron Acceptors and Charge Transfer Complexes

    DEFF Research Database (Denmark)

    Jansen, P.; Eldrup, Morten Mostgaard; Jensen, Bror Skytte

    1975-01-01

    Positron lifetime measurements were performed on a series of organic electron acceptors and charge-transfer complexes in solution. The acceptors cause both positronium (Ps) inhibition (with maybe one exception) and quenching, but when an acceptor takes part in a charge-transfer complex...... in terms of the spur reaction model of Ps formation. Correlation was also made to gas phase reaction between electron acceptors and free electron, as well as to pulse radiolysis data....

  16. Analog Organic Electronics Building Blocks for Organic Smart Sensor Systems on Foil

    CERN Document Server

    Marien, Hagen; Heremans, Paul

    2013-01-01

     This book provides insight into organic electronics technology and in analog circuit techniques that can be used to increase the performance of both analog and digital organic circuits. It explores the domain of organic electronics technology for analog circuit applications, specifically smart sensor systems.  It focuses on all the building blocks in the data path of an organic sensor system between the sensor and the digital processing block. Sensors, amplifiers, analog-to-digital converters and DC-DC converters are discussed in detail. Coverage includes circuit techniques, circuit implementation, design decisions and measurement results of the building blocks described. Offers readers the first book to focus on analog organic circuit design; Discusses organic electronics technology for analog circuit applications in the context of smart sensor systems; Describes all building blocks necessary for an organic sensor system between the sensor and the digital processing block; Includes circuit techniques, cir...

  17. Vlasov fluid model with electron pressure

    International Nuclear Information System (INIS)

    Gerwin, R.

    1975-11-01

    The Vlasov-ion, fluid-electron model of Freidberg for studying the linear stability of hot-ion pinch configurations is here extended to include electron pressure. Within the framework of an adiabatic electron-gas picture, it is shown that this model is still amenable to the numerical methods described by Lewis and Freidberg

  18. Introduction to organic electronic and optoelectronic materials and devices

    CERN Document Server

    Sun, Sam-Shajing

    2008-01-01

    Introduction to Optoelectronic Materials, N. Peyghambarian and M. Fallahi Introduction to Optoelectronic Device Principles, J. Piprek Basic Electronic Structures and Charge Carrier Generation in Organic Optoelectronic Materials, S.-S. Sun Charge Transport in Conducting Polymers, V.N. Prigodin and A.J. Epstein Major Classes of Organic Small Molecules for Electronic and Optoelectronics, X. Meng, W. Zhu, and H. Tian Major Classes of Conjugated Polymers and Synthetic Strategies, Y. Li and J. Hou Low Energy Gap, Conducting, and Transparent Polymers, A. Kumar, Y. Ner, and G.A. Sotzing Conjugated Polymers, Fullerene C60, and Carbon Nanotubes for Optoelectronic Devices, L. Qu, L. Dai, and S.-S. Sun Introduction of Organic Superconducting Materials, H. Mori Molecular Semiconductors for Organic Field-Effect Transistors, A. Facchetti Polymer Field-Effect Transistors, H.G.O. Sandberg Organic Molecular Light-Emitting Materials and Devices, F. So and J. Shi Polymer Light-Emitting Diodes: Devices and Materials, X. Gong and ...

  19. Printed Organic and Inorganic Electronics: Devices To Systems

    KAUST Repository

    Sevilla, Galo T.

    2016-11-11

    Affordable and versatile printed electronics can play a critical role for large area applications, such as for displays, sensors, energy harvesting, and storage. Significant advances including commercialization in the general area of printed electronics have been based on organic molecular electronics. Still some fundamental challenges remain: thermal instability, modest charge transport characteristics, and limited lithographic resolution. In the last decade, one-dimensional nanotubes and nanowires, like carbon nanotubes and silicon nanowires, followed by two-dimensional materials, like graphene and transitional dichalcogenide materials, have shown interesting promise as next-generation printed electronic materials. Challenges, such as non-uniformity in growth, limited scalability, and integration issues, need to be resolved for the viable application of these materials to technology. Recently, the concept of printed high-performance complementary metal\\\\text-oxide semiconductor electronics has also emerged and been proven successful for application to electronics. Here, we review progress in CMOS technology and applications, including challenges faced and opportunities revealed.

  20. Electron transfer in organic glass. Distance and energy dependence

    International Nuclear Information System (INIS)

    Krongauz, V.V.

    1992-01-01

    The authors have investigated the distance and energy dependence of electron transfer in rigid organic glasses containing randomly dispersed electron donor and electron acceptor molecules. Pulsed radiolysis by an electron beam from a linear accelerator was used for ionization resulting in charge deposition on donor molecules. The disappearance kinetics of donor radical anions due to electron transfer to acceptor was monitored spectroscopically by the change in optical density at the wavelength corresponding to that of donor radical anion absorbance. It was found that the rate of the electron transfer observed experimentally was higher than that computed using the Marcus-Levich theory assuming that the electron-transfer activation barrier is equal to the binding energy of electron on the donor molecule. This discrepancy between the experimental and computed results suggests that the open-quotes inertclose quotes media in which electron-transfer reaction takes place may be participating in the process, resulting in experimentally observed higher electron-transfer rates. 32 refs., 3 figs., 2 tabs

  1. Operating Organic Electronics via Aqueous Electric Double Layers

    OpenAIRE

    Toss, Henrik

    2015-01-01

    The field of organic electronics emerged in the 1970s with the discovery of conducting polymers. With the introduction of plastics as conductors and semiconductors came many new possibilities both in production and function of electronic devices. Polymers can often be processed from solution and their softness provides both the possibility of working on flexible substrates, and various advantages in interfacing with other soft materials, e.g. biological samples and specimens. Conducting polym...

  2. Resolving taxonmic discrepancies: Role of Electronic Catalogues of Known Organisms

    Directory of Open Access Journals (Sweden)

    Vishwas Chavan

    2005-01-01

    Full Text Available There is a disparity in availability of nomenclature change literature to the taxonomists of the developing world and availability of taxonomic papers published by developing world scientists to their counterparts in developed part of the globe. This has resulted in several discrepancies in the naming of organisms. Development of electronic catalogues of names of known organisms would help in pointing out these issues. We have attempted to highlight a few of such discrepancies found while developing IndFauna, an electronic catalogue of known Indian fauna and comparing it with existing global and regional databases.Full Text: PDF

  3. Role of coherence and delocalization in photo-induced electron transfer at organic interfaces

    Science.gov (United States)

    Abramavicius, V.; Pranculis, V.; Melianas, A.; Inganäs, O.; Gulbinas, V.; Abramavicius, D.

    2016-09-01

    Photo-induced charge transfer at molecular heterojunctions has gained particular interest due to the development of organic solar cells (OSC) based on blends of electron donating and accepting materials. While charge transfer between donor and acceptor molecules can be described by Marcus theory, additional carrier delocalization and coherent propagation might play the dominant role. Here, we describe ultrafast charge separation at the interface of a conjugated polymer and an aggregate of the fullerene derivative PCBM using the stochastic Schrödinger equation (SSE) and reveal the complex time evolution of electron transfer, mediated by electronic coherence and delocalization. By fitting the model to ultrafast charge separation experiments, we estimate the extent of electron delocalization and establish the transition from coherent electron propagation to incoherent hopping. Our results indicate that even a relatively weak coupling between PCBM molecules is sufficient to facilitate electron delocalization and efficient charge separation at organic interfaces.

  4. Electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ

    DEFF Research Database (Denmark)

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

    2003-01-01

    We study the electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ by means of density-functional band theory, Hubbard model calculations, and angle-resolved photoelectron spectroscopy (ARPES). The experimental spectra reveal significant quantitative and qualitative......-dimensional Hubbard model for the low-energy spectral behavior is attributed to interchain coupling and the additional effect of electron-phonon interaction....

  5. Analytical local electron-electron interaction model potentials for atoms

    International Nuclear Information System (INIS)

    Neugebauer, Johannes; Reiher, Markus; Hinze, Juergen

    2002-01-01

    Analytical local potentials for modeling the electron-electron interaction in an atom reduce significantly the computational effort in electronic structure calculations. The development of such potentials has a long history, but some promising ideas have not yet been taken into account for further improvements. We determine a local electron-electron interaction potential akin to those suggested by Green et al. [Phys. Rev. 184, 1 (1969)], which are widely used in atom-ion scattering calculations, electron-capture processes, and electronic structure calculations. Generalized Yukawa-type model potentials are introduced. This leads, however, to shell-dependent local potentials, because the origin behavior of such potentials is different for different shells as has been explicated analytically [J. Neugebauer, M. Reiher, and J. Hinze, Phys. Rev. A 65, 032518 (2002)]. It is found that the parameters that characterize these local potentials can be interpolated and extrapolated reliably for different nuclear charges and different numbers of electrons. The analytical behavior of the corresponding localized Hartree-Fock potentials at the origin and at long distances is utilized in order to reduce the number of fit parameters. It turns out that the shell-dependent form of Green's potential, which we also derive, yields results of comparable accuracy using only one shell-dependent parameter

  6. Model of organ dose combination

    International Nuclear Information System (INIS)

    Valley, J.-F.; Lerch, P.

    1977-01-01

    The ICRP recommendations are based on the limitation of the dose to each organ. In the application and for a unique source the critical organ concept allows to limit the calculation and represents the irradiation status of an individuum. When several sources of radiation are involved the derivation of the dose contribution of each source to each organ is necessary. In order to represent the irradiation status a new parameter is to be defined. Propositions have been made by some authors, in particular by Jacobi introducing at this level biological parameters like the incidence rate of detriment and its severity. The new concept is certainly richer than a simple dose notion. However, in the actual situation of knowledge about radiation effects an intermediate parameter, using only physical concepts and the maximum permissible doses to the organs, seems more appropriate. The model, which is a generalization of the critical organ concept and shall be extended in the future to take the biological effects into account, will be presented [fr

  7. Effect of electron beam on in vitro cultured orchid organs

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Jaihyunk; Bae, Seho; Bae, Changhyu [Sunchon National Univ., Suncheon (Korea, Republic of); Kang, Hyun Suk; Lee, Byung Cheol [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2010-07-01

    Ionizing radiations have been effective mutagen sources to overcome the limitation of the useful genetic resources in natural environment. The study was conducted to investigate an effect of electron beam on organogenesis, growth patterns and genetic variation in the irradiated orchid organs. The in utero cultured rhizomes of orchids were irradiated with the electron beam in the dose range of 15Gy to 2240Gy under the condition of various beam energy and beam current. Significant decreases in survival, growth and organogenesis were observed by increase of intensity of electron beam irradiation. The irradiation intensity of lethal dose 50 of the in utero cultured orchid was estimated as approximately 500Gy to 1000Gy under 10MeV/n, and 1000Gy was optimal for growth and organogenesis of the cultures under 10MeV/n with 0.05mA treatment, and 15Gy {approx} 48Gy under 2MeV/n and 0.5mA electron beam condition. RAPD and ISSR analyses for the electron beam irradiated organs were performed to analyze genetic variation under the electron beam condition. Both of RAPD and ISSR analyses showed higher polymorphic rate in the electron-beam irradiated C. gangrene and C. Kaner.

  8. Organic/metal interfaces. Electronic and structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Duhm, Steffen

    2008-07-17

    This work addresses several important topics of the field of organic electronics. The focus lies on organic/metal interfaces, which exist in all organic electronic devices. Physical properties of such interfaces are crucial for device performance. Four main topics have been covered: (i) the impact of molecular orientation on the energy levels, (ii) energy level tuning with strong electron acceptors, (iii) the role of thermodynamic equilibrium at organic/ organic homo-interfaces and (iv) the correlation of interfacial electronic structure and bonding distance. To address these issues a broad experimental approach was necessary: mainly ultraviolet photoelectron spectroscopy was used, supported by X-ray photoelectron spectroscopy, metastable atom electron spectroscopy, X-ray diffraction and X-ray standing waves, to examine vacuum sublimed thin films of conjugated organic molecules (COMs) in ultrahigh vacuum. (i) A novel approach is presented to explain the phenomenon that the ionization energy in molecular assemblies is orientation dependent. It is demonstrated that this is due to a macroscopic impact of intramolecular dipoles on the ionization energy in molecular assemblies. Furthermore, the correlation of molecular orientation and conformation has been studied in detail for COMs on various substrates. (ii) A new approach was developed to tune hole injection barriers ({delta}{sub h}) at organic/metal interfaces by adsorbing a (sub-) monolayer of an organic electron acceptor on the metal electrode. Charge transfer from the metal to the acceptor leads to a chemisorbed layer, which reduces {delta}{sub h} to the COM overlayer. This concept was tested with three acceptors and a lowering of {delta}{sub h} of up to 1.2 eV could be observed. (iii) A transition from vacuum-level alignment to molecular level pinning at the homo-interface between a lying monolayer and standing multilayers of a COM was observed, which depended on the amount of a pre-deposited acceptor. The

  9. Organic semi-conducting architectures for supramolecular electronics

    NARCIS (Netherlands)

    Leclère, P.E.L.G.; Surin, M.; Jonkheijm, P.; Henze, O.; Schenning, A.P.H.J.; Biscarini, F.; Grimsdale, A.C.; Feast, W.J.; Meijer, E.W.; Müllen, K.; Brédas, J.L.; Lazzaroni, R.

    2004-01-01

    The properties of organic electronic materials in the solid-state are determined not only by those of individual molecules but also by those of ensembles of molecules. The ability to control the architectures of these ensembles is thus essential for optimizing the properties of conjugated materials

  10. Molecular fingerprints in the electronic properties of crystalline organic semiconductors

    DEFF Research Database (Denmark)

    Ciuchi, S.; Hatch, R.C.; Höchst, H.

    2012-01-01

    bands can be achieved in organic semiconductors provided that one properly accounts for the coupling to molecular vibrational modes and the presence of disorder. Our findings rationalize the growing experimental evidence that even the best band structure theories based on a many-body treatment...... of electronic interactions cannot reproduce the experimental photoemission data in this important class of materials....

  11. Effects of electronic outlining on the organization of text ideas

    NARCIS (Netherlands)

    De Smet, Milou; Brand-Gruwel, Saskia; Broekkamp, Hein; Kirschner, Paul A.

    2011-01-01

    De Smet, M. J. R., Brand-Gruwel, S., Broekkamp, H., & Kirschner, P. A. (2011, August). Effects of electronic outlining on the organization of text ideas. Presentation at the annual meeting of the Junior Researchers of the European Association for Research on Learning and Instruction, Exeter, UK.

  12. Computational modeling of Metal-Organic Frameworks

    Science.gov (United States)

    Sung, Jeffrey Chuen-Fai

    In this work, the metal-organic frameworks MIL-53(Cr), DMOF-2,3-NH 2Cl, DMOF-2,5-NH2Cl, and HKUST-1 were modeled using molecular mechanics and electronic structure. The effect of electronic polarization on the adsorption of water in MIL-53(Cr) was studied using molecular dynamics simulations of water-loaded MIL-53 systems with both polarizable and non-polarizable force fields. Molecular dynamics simulations of the full systems and DFT calculations on representative framework clusters were utilized to study the difference in nitrogen adsorption between DMOF-2,3-NH2Cl and DMOF-2,5-NH 2Cl. Finally, the control of proton conduction in HKUST-1 by complexation of molecules to the Cu open metal site was investigated using the MS-EVB methodology.

  13. Flexible organic electronic devices: Materials, process and applications

    International Nuclear Information System (INIS)

    Logothetidis, Stergios

    2008-01-01

    The research for the development of flexible organic electronic devices (FEDs) is rapidly increasing worldwide, since FEDs will change radically several aspects of everyday life. Although there has been considerable progress in the area of flexible inorganic devices (a-Si or solution processed Si), there are numerous advances in the organic (semiconducting, conducting and insulating), inorganic and hybrid (organic-inorganic) materials that exhibit customized properties and stability, and in the synthesis and preparation methods, which are characterized by a significant amount of multidisciplinary efforts. Furthermore, the development and encapsulation of organic electronic devices onto flexible polymeric substrates by large-scale and low-cost roll-to-roll production processes will allow their market implementation in numerous application areas, including displays, lighting, photovoltaics, radio-frequency identification circuitry and chemical sensors, as well as to a new generation of modern exotic applications. In this work, we report on some of the latest advances in the fields of polymeric substrates, hybrid barrier layers, inorganic and organic materials to be used as novel active and functional thin films and nanomaterials as well as for the encapsulation of the materials components for the production of FEDs (flexible organic light-emitting diodes, and organic photovoltaics). Moreover, we will emphasize on the real-time optical monitoring and characterization of the growing films onto the flexible polymeric substrates by spectroscopic ellipsometry methods. Finally, the potentiality for the in-line characterization processes for the development of organic electronics materials will be emphasized, since it will also establish the framework for the achievement of the future scientific and technological breakthroughs

  14. A classical model for the electron

    International Nuclear Information System (INIS)

    Visser, M.

    1989-01-01

    The construction of classical and semi-classical models for the electron has had a long and distinguished history. Such models are useful more for what they teach us about field theory than what they teach us about the electron. In this Letter I exhibit a classical model of the electron consisting of ordinary electromagnetism coupled with a self-interacting version of Newtonian gravity. The gravitational binding energy of the system balances the electrostatic energy in such a manner that the total rest mass of the electron is finite. (orig.)

  15. Recent progress in organic electronics and photonics: A perspective on the future of organic devices

    KAUST Repository

    Bredas, Jean-Luc

    2016-02-25

    The fields of organic electronics and photonics have witnessed remarkable advances over the past few years. This progress bodes well for the increased utilization of organic materials as the active layers in devices for applications as diverse as light-emitting diodes, field-effect transistors, solar cells, or all-optical switches. In the present document, we choose to focus the discussion on organic all-optical switching applications. © 2015 The Japan Society of Applied Physics.

  16. Electron beam deposition system causing little damage to organic layers

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Minoru [Research Center for Solar Energy Chemistry, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531 (Japan); Business Incubation Department, Hitachi Zosen Corporation, 2-11 Funamachi 2-Chome, Taisho-ku, Osaka 551-0022 (Japan); Matsumura, Michio, E-mail: matsu@chem.es.osaka-u.ac.jp [Research Center for Solar Energy Chemistry, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531 (Japan); Maeda, Yasuhiro [Business Incubation Department, Hitachi Zosen Corporation, 2-11 Funamachi 2-Chome, Taisho-ku, Osaka 551-0022 (Japan)

    2011-07-29

    Conditions for deposition of an aluminum (Al) layer on an organic light-emitting layer with an electron beam (EB) deposition system were optimized with respect to deposition rate and damage to organic layers. The damage to the organic layers was found to be mostly caused by X-rays emitted from a target bombarded with accelerated electrons. In order to decrease the X-ray intensity while maintaining a high deposition rate, we used an EB source which emits high-density EB at low acceleration voltage. In addition, we inserted a heat reflector and a sintered-carbon liner between the Al target and copper crucible to improve heat insulation. As a result, the voltage needed for the deposition of Al electrodes at a rate of about 8 nm/s was lowered from normal voltages of 2.0 kV or higher to as low as 1.5 kV. To reduce the number of electrons hitting the substrate, we set pole pieces near the target and an electron trap in the chamber. The devices on which Al electrodes were deposited with the EB system showed almost the same properties as those of devices on which the Al electrodes were deposited by a resistive-heating method.

  17. Linking Informal and Formal Electronics Recycling via an Interface Organization

    Directory of Open Access Journals (Sweden)

    Yoshiaki Totoki

    2013-07-01

    Full Text Available Informal recycling of electronics in the developing world has emerged as a new global environmental concern. The primary approach to address this problem has been command-and-control policies that ban informal recycling and international trade in electronic scrap. These bans are difficult to enforce and also have negative effects by reducing reuse of electronics, and employment for people in poverty. An alternate approach is to link informal and formal sectors so as to maintain economic activity while mitigating environmental damages. This article explores the idea of an interface organization that purchases components and waste from informal dismantlers and passes them on to formal processors. Environmental, economic and social implications of interface organizations are discussed. The main environmental questions to resolve are what e-scrap components should be targeted by the interface organization, i.e., circuit boards, wires, and/or plastic parts. Economically, when formal recycling is more profitable (e.g., for circuit boards, the interface organization is revenue positive. However, price subsidies are needed for copper wires and residual waste to incentivize informal dismantlers to turn in for formal processing. Socially, the potential for corruption and gaming of the system is critical and needs to be addressed.

  18. Peculiarities of designing Holistic Electronic Government Services Integration Model

    Directory of Open Access Journals (Sweden)

    Tadas Limba

    2011-12-01

    Full Text Available Purpos– the aim ok this paper is to develop a Holistic Electronic Government Services Integration Model which could ensure the efficient integration of electronic government services in the local self-government level.Methodolog– the following analyses have been carried out in thirkpaper: theoretical-systematic; normative and conceptual comparative analysis of the researcha A method of modeling has also been applied.Finding– the scientific work analyzes the improvement opportunities of the models of electronic government services and their application alternatives in Lithuanian municipalities. The newly developed model of electronic government services that has been designed basng on the principle of integrating online expert consultation is primarily targeted at improvement of inside processes’ changes of an organization. Practicing the application of that model in the local self-government level starting with improvement of inside processes of an organization should help adapt more accurately and efficiently to the changing needs of the society while providing electronic government services, thus establishing a higher public value.Practical implication– the practical novelty of work is reflected not only through the integration opportunities’ assessment of the principle of online expert consultation services into the theoretical models of electronic government services that have already been developed by the scientists, but also on the basis of this principle there has been created a “Holistic Electronic Government Services Integration Model” in accordance with “E-Diamond” model basis and its practical application realization with the design of “The project of implementing the principle of online expert consultation on the model of electronic government services” for the future investigations.Originalit– the systematic, comparative analysis of the models of electronic government services carried out in the scientific

  19. Effective electron-electron and electron-phonon interactions in the Hubbard-Holstein model

    International Nuclear Information System (INIS)

    Aprea, G.; Di Castro, C.; Grilli, M. . E-mail marco.grilli@roma1.infn.it; Lorenzana, J.

    2006-01-01

    We investigate the interplay between the electron-electron and the electron-phonon interaction in the Hubbard-Holstein model. We implement the flow-equation method to investigate within this model the effect of correlation on the electron-phonon effective coupling and, conversely, the effect of phonons in the effective electron-electron interaction. Using this technique we obtain analytical momentum-dependent expressions for the effective couplings and we study their behavior for different physical regimes. In agreement with other works on this subject, we find that the electron-electron attraction mediated by phonons in the presence of Hubbard repulsion is peaked at low transferred momenta. The role of the characteristic energies involved is also analyzed

  20. Implementation of Optical Characterization for Flexible Organic Electronics Applications

    Science.gov (United States)

    Laskarakis, A.; Logothetidis, S.

    One of the most rapidly evolving sectors of the modern science and technology is the flexible organic electronic devices (FEDs) that are expected to significantly improve and revolutionize our everyday life. The FED application includes the generation of electricity by renewable sources (by organic photovoltaic cells - OPVs), power storage (thin film batteries), the visualization of information (by organic displays), the working and living environment (ambient lighting, sensors), safety, market (smart labels, radio frequency identification tags - RFID), textiles (smart fabrics with embedded display and sensor capabilities), as well as healthcare (smart sensors for vital sign monitoring), etc. Although there has been important progresses in inorganic-based Si devices, there are numerous advances in the organic (semiconducting, conducting), inorganic, and hybrid (organic-inorganic) materials that exhibit desirable properties and stability, and in the synthesis and preparation methods. The understanding of the organic material properties can lead to the fast progress of the functionality and performance of FEDs. The investigation of the optical properties of these materials can promote the understanding of the optical, electrical, structural properties of organic semiconductors and electrodes and can contribute to the optimization of the synthesis process and the tuning of their structure and morphology. In this chapter, we will describe briefly some of the advances toward the implementation of optical characterization methods, such as Spectroscopic Ellipsometry (SE) from the infrared to the visible and ultraviolet spectral region for the study of materials (flexible polymer substrates, barrier layers, transparent electrodes) to be used for application in the fabrication of FEDs.

  1. Electronic Structure Approach to Tunable Electronic Properties of Hybrid Organic-Inorganic Perovskites

    Science.gov (United States)

    Liu, Garnett; Huhn, William; Mitzi, David B.; Kanai, Yosuke; Blum, Volker

    We present a study of the electronic structure of layered hybrid organic-inorganic perovskite (HOIP) materials using all-electron density-functional theory. Varying the nature of the organic and inorganic layers should enable systematically fine-tuning the carrier properties of each component. Using the HSE06 hybrid density functional including spin-orbit coupling (SOC), we validate the principle of tuning subsystem-specific parts of the electron band structures and densities of states in CH3NH3PbX3 (X=Cl, Br, I) compared to a modified organic component in layered (C6H5C2H4NH3) 2PbX4 (X=Cl, Br, I) and C20H22S4N2PbX4 (X=Cl, Br, I). We show that tunable shifts of electronic levels indeed arise by varying Cl, Br, I as the inorganic components, and CH3NH3+ , C6H5C2H4NH3+ , C20H22S4N22 + as the organic components. SOC is found to play an important role in splitting the conduction bands of the HOIP compounds investigated here. The frontier orbitals of the halide shift, increasing the gap, when Cl is substituted for Br and I.

  2. Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics

    DEFF Research Database (Denmark)

    de Oteyza, Dimas G.; García Lastra, Juan Maria; Toma, Francesca M.

    2016-01-01

    , respectively, reveal that electron transfer from substrate to surface sets in. Density functional theory calculations confirm our experimental findings and provide an understanding not only of the photoemission and X-ray absorption spectral features of this promising organic semiconductor but also...

  3. Status of Galileo interim radiation electron model

    Science.gov (United States)

    Garrett, H. B.; Jun, I.; Ratliff, J. M.; Evans, R. W.; Clough, G. A.; McEntire, R. W.

    2003-01-01

    Measurements of the high energy, omni-directional electron environment by the Galileo spacecraft Energetic Particle Detector (EDP) were used to develop a new model of Jupiter's trapped electron radiation in the jovian equatorial plane for the range 8 to 16 Jupiter radii.

  4. An Electronic Publishing Model for Academic Publishers.

    Science.gov (United States)

    Gold, Jon D.

    1994-01-01

    Describes an electronic publishing model based on Standard Generalized Markup Language (SGML) and considers its use by an academic publisher. Highlights include how SGML is used to produce an electronic book, hypertext, methods of delivery, intellectual property rights, and future possibilities. Sample documents are included. (two references) (LRW)

  5. Electronic and optical properties of diamond/organic semiconductor heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Gajewski, Wojciech; Garrido, Jose; Niedermeier, Martin; Stutzmann, Martin [Walter Schottky Institute, TU Muenchen, Am Coulombwall 3, 85748 Garching (Germany); Williams, Oliver; Haenen, Ken [Institute for Materials Research, University of Hasselt, Wetenschapspark 1, BE-3590 Diepenbeek (Belgium)

    2007-07-01

    Different diamond substrates (single crystalline: SCD, poly-crystalline: PCD and nano-crystalline: NCD) were used to investigate the electronic and optical properties of the diamond/organic semiconductor heterostructures. Layers of a poly[ethynyl-(2-decyloxy-5methoxy)benzene] - PEB, pentacene and 4-nitro-biphenyl-4-diazonium cations - Ph-Ph-NO{sub 2} were prepared by spin coating, thermal evaporation and grafting, respectively. The measurements of the electronic transport along the organic layer were performed using a Hg probe as well as Hall effect measurements in the temperature range 70-400 K. The I-V characteristics of the B-doped diamond/organic semiconductor heterostructures were measured at room temperature by means of the Hg probe. Undoped IIa and undoped PCD films were used for a study of the optical and optoelectronic properties of prepared heterostructures. The influence of the organic layer homogeneity and layer thickness on the optical properties will be discussed. Furthermore, preliminary data on perpendicular and parallel transport in the heterostructures layer will be reported.

  6. Fullerene derivatives as electron acceptors for organic photovoltaic cells.

    Science.gov (United States)

    Mi, Dongbo; Kim, Ji-Hoon; Kim, Hee Un; Xu, Fei; Hwang, Do-Hoon

    2014-02-01

    Energy is currently one of the most important problems humankind faces. Depletion of traditional energy sources such as coal and oil results in the need to develop new ways to create, transport, and store electricity. In this regard, the sun, which can be considered as a giant nuclear fusion reactor, represents the most powerful source of energy available in our solar system. For photovoltaic cells to gain widespread acceptance as a source of clean and renewable energy, the cost per watt of solar energy must be decreased. Organic photovoltaic cells, developed in the past two decades, have potential as alternatives to traditional inorganic semiconductor photovoltaic cells, which suffer from high environmental pollution and energy consumption during production. Organic photovoltaic cells are composed of a blended film of a conjugated-polymer donor and a soluble fullerene-derivative acceptor sandwiched between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)-coated indium tin oxide positive electrode and a low-work-function metal negative electrode. Considerable research efforts aim at designing and synthesizing novel fullerene derivatives as electron acceptors with up-raised lowest unoccupied molecular orbital energy, better light-harvesting properties, higher electron mobility, and better miscibility with the polymer donor for improving the power conversion efficiency of the organic photovoltaic cells. In this paper, we systematically review novel fullerene acceptors synthesized through chemical modification for enhancing the photovoltaic performance by increasing open-circuit voltage, short-circuit current, and fill factor, which determine the performance of organic photovoltaic cells.

  7. The implementation of electronic services: planned or organic growth?

    Directory of Open Access Journals (Sweden)

    John Cole

    2005-11-01

    Full Text Available The literature on innovation suggests that projects are successful when rigorous project management is mixed judiciously with 'organic' development. This paper argues that organic growth can play a substantial role in the implementation of electronic services in healthcare settings. Evidence for organic growth is presented, based on a study of email use. Methods are presented for investigating email use in health service settings in the National Health Service (NHS in Bradford, England. Geographical information systems (GIS outputs and social network analyses are presented. The results demonstrate a fivefold increase in the use of email over a 13-month period, which is shown to be largely independent of the growth in the number of organisations using the network. They also demonstrate a marked increase in the complexity of the patterns of email use over the period.

  8. Modeling microwave/electron-cloud interaction

    International Nuclear Information System (INIS)

    Mattes, M; Sorolla, E; Zimmermann, F

    2013-01-01

    Starting from the separate codes BI-RME and ECLOUD or PyECLOUD, we are developing a novel joint simulation tool, which models the combined effect of a charged particle beam and of microwaves on an electron cloud. Possible applications include the degradation of microwave transmission in telecommunication satellites by electron clouds; the microwave-transmission techniques being used in particle accelerators for the purpose of electroncloud diagnostics; the microwave emission by the electron cloud itself in the presence of a magnetic field; and the possible suppression of electron-cloud formation in an accelerator by injecting microwaves of suitable amplitude and frequency. A few early simulation results are presented. (author)

  9. Electron scattering in the interacting boson model

    NARCIS (Netherlands)

    Dieperink, AEL; Iachello, F; Rinat, A; Creswell, C

    1978-01-01

    It is suggested that the interacting boson model be used in the analysis of electron scattering data. Qualitative features of the expected behavior of the inelastic excitation of some 2 ÷ states inthe transitional Sm-Nd region are discussed

  10. Organic against inorganic electrodes grown onto polymer substrates for flexible organic electronics applications

    International Nuclear Information System (INIS)

    Logothetidis, S.; Laskarakis, A.

    2009-01-01

    One of the most challenging topics in the area of organic electronic devices is the growth of transparent electrodes onto flexible polymeric substrates that will be characterized by enhanced conductivity in combination with high optical transparency. An essential aspect for these materials is their synthesis and/or microstructure which define the transparency, the stability and the interfacial chemistry which in turn determine the performance and stability of the organic electronic devices, such as organic light emitting diodes, organic photovoltaics, etc. In this work, we will discuss the latest advances in the growth of organic (e.g. PEDOT:PSS) and inorganic (e.g. zinc oxide-ZnO, indium tin oxide-ITO) conductive materials and their deposition onto flexible polymeric substrates. We will compare the optical, structural, nano-mechanical and nano-topographical properties of the inorganic and organic materials and we investigate the effect of their structure on their properties and functionality. In the case of the organic conductive materials, we will discuss the effects of PEDOT:PSS weight ratios and the various spin speeds on their optical and electrical properties. Furthermore, in the case of ZnO the growth mechanisms, interface phenomena, crystallinity and optical properties of ZnO thin films grown onto polymer and hybrid (inorganic-organic) flexible substrates will be also discussed.

  11. New Electronic Technology Applied in Flexible Organic Optical System

    Directory of Open Access Journals (Sweden)

    Andre F. S. Guedes

    2014-02-01

    Full Text Available The synthesis and application of new organic materials, nanostructured, for developing technology based on organic devices, have been the main focus of the scientific community. In recent years, the first polymeric electronics products have entered the market (organic semiconductor materials and there are some electrochromic devices among them that have been called smart windows, once they control the passage of light or heat through a closed environment as an ordinary window. The main functional aspect of electrochromic devices, when being used in architectural and automotive industry, is to control the passage of light and temperature with thermal and visual comfort. These devices can be flexible and very thin, not containing heavy metals, and formed by layers of organic material deposited in several architectures. In this study, the electro-deposition of organic materials in the Polyaniline, PANI case, which provide stability in optical and electrical parameters, was utilized with the means of developing prototypes of organic electrochromic devices. These materials were characterized by: ultraviolet-visible spectroscopy absorption (UV-Vis, measurement of thickness (MT and electrical measurements (EM. This study aims to establish the relationship between the thickness of the active layer and the value of the electrical resistivity of the layer deposited through an electro-deposition technique. The experimental results enabled the equating of the electrical resistivity related to the thickness of the deposited layer. The linear fit of these results has expressed the thickness of the conducting layer, α, and the lowest value of the electrical resistivity, β, associated with the gap between the valence band and the conduction band. Thus, the results have demonstrated that, when the layer of organic material is completely conductive, we may obtain the thickness of the organic material deposited on the substrate.

  12. Kinetic electron model for plasma thruster plumes

    Science.gov (United States)

    Merino, Mario; Mauriño, Javier; Ahedo, Eduardo

    2018-03-01

    A paraxial model of an unmagnetized, collisionless plasma plume expanding into vacuum is presented. Electrons are treated kinetically, relying on the adiabatic invariance of their radial action integral for the integration of Vlasov's equation, whereas ions are treated as a cold species. The quasi-2D plasma density, self-consistent electric potential, and electron pressure, temperature, and heat fluxes are analyzed. In particular, the model yields the collisionless cooling of electrons, which differs from the Boltzmann relation and the simple polytropic laws usually employed in fluid and hybrid PIC/fluid plume codes.

  13. Electronic Interactions of n-Doped Perylene Diimide Groups Appended to Polynorbornene Chains: Implications for Electron Transport in Organic Electronics.

    Science.gov (United States)

    Nguyen, Minh T; Biberdorf, Joshua D; Holliday, Bradley J; Jones, Richard A

    2017-11-01

    A polymer consisting of a polynorbornene backbone with perylene diimide (PDI) pendant groups on each monomeric unit is synthesized via ring opening metathesis polymerization. The PDI pendant groups along the polymer backbone, studied by UV-vis absorption, fluorescence emission, and electron paramagnetic resonance spectroscopy in addition to electrochemical methods, show evidence of molecular aggregation and corresponding electronic coupling with neighboring groups, which forms pathways for efficient electron transport from one group to another in a specific reduced form. When n-doped, the title polymer shows redox conductivity of 5.4 × 10 -3 S cm -1 , comparable with crystalline PDI materials, and is therefore a promising material for use in organic electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Relative effectiveness of electron-proton damage on organic coatings

    International Nuclear Information System (INIS)

    Bartolomei, P.; Cabrini, A.

    1988-01-01

    With aim to verify the validity of simulation with photon irradiators, of damage caused on internal containment coatings by beta plus gamma mixed field following to a LOCA in LWR, irradiation tests with Co 60 photon and with nearly 1.5 MeV mean energy electrons have been performed. Changes of some properties of coating film have been verified versus absorbed doses up to 1000 KGy (100 Mrad). A special technique for measurement of dose absorbed in thin film of coating has been tested, to be related to absorbed dose in organic dosimeters and in water (Fricke solution) dosimeter. The changes of considered properties (tensile strength, ease to decontamination, color, brightness) do not allow at the moment, to determine undoubtedly the degree of equivalence between radiation damage to coatings by two types of radiation. A strong backscatter effect mainly evident in electron irradiation, has been pointed out, which contribute to damage to coating film

  15. Rational design of metal-organic electronic devices: A computational perspective

    Science.gov (United States)

    Chilukuri, Bhaskar

    Organic and organometallic electronic materials continue to attract considerable attention among researchers due to their cost effectiveness, high flexibility, low temperature processing conditions and the continuous emergence of new semiconducting materials with tailored electronic properties. In addition, organic semiconductors can be used in a variety of important technological devices such as solar cells, field-effect transistors (FETs), flash memory, radio frequency identification (RFID) tags, light emitting diodes (LEDs), etc. However, organic materials have thus far not achieved the reliability and carrier mobility obtainable with inorganic silicon-based devices. Hence, there is a need for finding alternative electronic materials other than organic semiconductors to overcome the problems of inferior stability and performance. In this dissertation, I research the development of new transition metal based electronic materials which due to the presence of metal-metal, metal-pi, and pi-pi interactions may give rise to superior electronic and chemical properties versus their organic counterparts. Specifically, I performed computational modeling studies on platinum based charge transfer complexes and d 10 cyclo-[M(mu-L)]3 trimers (M = Ag, Au and L = monoanionic bidentate bridging (C/N~C/N) ligand). The research done is aimed to guide experimental chemists to make rational choices of metals, ligands, substituents in synthesizing novel organometallic electronic materials. Furthermore, the calculations presented here propose novel ways to tune the geometric, electronic, spectroscopic, and conduction properties in semiconducting materials. In addition to novel material development, electronic device performance can be improved by making a judicious choice of device components. I have studied the interfaces of a p-type metal-organic semiconductor viz cyclo-[Au(mu-Pz)] 3 trimer with metal electrodes at atomic and surface levels. This work was aimed to guide the device

  16. Electron beam treatment of toxic volatile organic compounds and dioxins

    International Nuclear Information System (INIS)

    Kojima, Takuji

    2006-01-01

    Considerations of wastes based on the reduction, reuse and recycle in daily life are primary measures to conserve our environment, but the control technology is necessary to support these measures. The electron beam (EB) process is promising as an advanced purification process having advantages such as a quick treatment of big volume gas, applicability even for very low concentration pollutants as the further purification at the downstream of existing process, and decomposition of pollutants into non-toxic substances by one process. The EB technology has been developed for treatment of toxic volatile organic compounds (VOCs) in ventilation gas and dioxins in solid waste incineration flue gas. (author)

  17. Electronic Payments Profitability Extent Model

    Directory of Open Access Journals (Sweden)

    Rudolf Vohnout

    2016-12-01

    Full Text Available Cashless payments are recent phenomena, which even increased with the introduction of contactless means like NFC, PayPass or payWave. Such new methods speed-up the entire payment process and in comparison to cash transactions are much simpler and faster. But on the other hand the key question for merchant is if it is worth to have such device, which accept these new payment means or not to have the terminal at all. What is the amount of cash flow, which delimits the cash holdings to be still profitable? This paper tries to give answers to such question by presenting general profitability model, which will address defining the cash threshold amount. The aim is to show that cash holdings could be profitable up to certain amount, but after the threshold is met, cashless payment methods are fairly superior despite their additional costs.

  18. using stereochemistry models in teaching organic compounds

    African Journals Online (AJOL)

    Preferred Customer

    The purpose of the study was to find out the effect of stereochemistry models on students' ... consistent with the names given to organic compounds. Some of ... Considering class level, what is the performance of the students in naming organic.

  19. Electron conductivity model for dense plasmas

    International Nuclear Information System (INIS)

    Lee, Y.T.; More, R.M.

    1984-01-01

    An electron conductivity model for dense plasmas is described which gives a consistent and complete set of transport coefficients including not only electrical conductivity and thermal conductivity, but also thermoelectric power, and Hall, Nernst, Ettinghausen, and Leduc--Righi coefficients. The model is useful for simulating plasma experiments with strong magnetic fields. The coefficients apply over a wide range of plasma temperature and density and are expressed in a computationally simple form. Different formulas are used for the electron relaxation time in plasma, liquid, and solid phases. Comparisons with recent calculations and available experimental measurement show the model gives results which are sufficiently accurate for many practical applications

  20. Model Comparison for Electron Thermal Transport

    Science.gov (United States)

    Moses, Gregory; Chenhall, Jeffrey; Cao, Duc; Delettrez, Jacques

    2015-11-01

    Four electron thermal transport models are compared for their ability to accurately and efficiently model non-local behavior in ICF simulations. Goncharov's transport model has accurately predicted shock timing in implosion simulations but is computationally slow and limited to 1D. The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. uses multigroup diffusion to speed up the calculation. Chenhall has expanded upon the iSNB diffusion model to a higher order simplified P3 approximation and a Monte Carlo transport model, to bridge the gap between the iSNB and Goncharov models while maintaining computational efficiency. Comparisons of the above models for several test problems will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

  1. Molecular self-assembly approaches for supramolecular electronic and organic electronic devices

    Science.gov (United States)

    Yip, Hin-Lap

    Molecular self-assembly represents an efficient bottom-up strategy to generate structurally well-defined aggregates of semiconducting pi-conjugated materials. The capability of tuning the chemical structures, intermolecular interactions and nanostructures through molecular engineering and novel materials processing renders it possible to tailor a large number of unprecedented properties such as charge transport, energy transfer and light harvesting. This approach does not only benefit traditional electronic devices based on bulk materials, but also generate a new research area so called "supramolecular electronics" in which electronic devices are built up with individual supramolecular nanostructures with size in the sub-hundred nanometers range. My work combined molecular self-assembly together with several novel materials processing techniques to control the nucleation and growth of organic semiconducting nanostructures from different type of pi-conjugated materials. By tailoring the interactions between the molecules using hydrogen bonds and pi-pi stacking, semiconducting nanoplatelets and nanowires with tunable sizes can be fabricated in solution. These supramolecular nanostructures were further patterned and aligned on solid substrates through printing and chemical templating methods. The capability to control the different hierarchies of organization on surface provides an important platform to study their structural-induced electronic properties. In addition to using molecular self-assembly to create different organic nanostructures, functional self-assembled monolayer (SAM) formed by spontaneous chemisorption on surfaces was used to tune the interfacial property in organic solar cells. Devices showed dramatically improved performance when appropriate SAMs were applied to optimize the contact property for efficiency charge collection.

  2. Conformable wearable systems comprising organic electronics on foil for well being and healthcare (presentation video)

    Science.gov (United States)

    de Kok, Margreet M.

    2014-10-01

    Integration of electronics into materials and objects that have not been functionalized with electronics before, open up extensive possibilities to support mankind. By adding intelligence and/or operating power to materials in close skin contact like clothing, furniture or bandages the health of people can be monitored or even improved. Foil based electronics are interesting components to be integrated as they are thin, large area and cost effective available components Our developed technology of printed electronic structures to which components are reliably bonded, fulfills the promise. We have integrated these components into textiles and built wearable encapsulated products with foil based electronics. Foil components with organic and inorganic LEDs are interconnected and laminated onto electronic textiles by using conductive adhesives to bond the contact pads of the component to conductive yarns in the textile. Modelling and reliability testing under dynamic circumstances provided important insights in order to optimise the technology. The design of the interconnection and choice of conductive adhesive / underfill and lamination contributed to the durability of the system. Transition zones from laminated foil to textile are engineered to withstand dynamic use. As an example of a product, we have realized an electronic wristband that is encapsulated in rubber and has a number of sensor functionalities integrated on stretchable electronic circuits based on Cu and Ag. The encapsulation with silicone or polyurethanes was performed such, that charging and sensor/skin contacts are possible while simultaneously protecting the electronics from mechanical and environmental stresses.

  3. Virtual screening of electron acceptor materials for organic photovoltaic applications

    International Nuclear Information System (INIS)

    D Halls, Mathew; Giesen, David J; Goldberg, Alexander; Djurovich, Peter J; Sommer, Jonathan; McAnally, Eric; Thompson, Mark E

    2013-01-01

    Virtual screening involves the generation of structure libraries, automated analysis to predict properties related to application performance and subsequent screening to identify lead systems and estimate critical structure–property limits across a targeted chemical design space. This approach holds great promise for informing experimental discovery and development efforts for next-generation materials, such as organic semiconductors. In this work, the virtual screening approach is illustrated for nitrogen-substituted pentacene molecules to identify systems for development as electron acceptor materials for use in organic photovoltaic (OPV) devices. A structure library of tetra-azapentacenes (TAPs) was generated by substituting four nitrogens for CH at 12 sites on the pentacene molecular framework. Molecular properties (e.g. E LUMO , E g and μ) were computed for each candidate structure using hybrid DFT at the B3LYP/6-311G** level of theory. The resulting TAPs library was then analyzed with respect to intrinsic properties associated with OPV acceptor performance. Marcus reorganization energies for charge transport for the most favorable TAP candidates were then calculated to further determine suitability as OPV electron acceptors. The synthesis, characterization and OPV device testing of TAP materials is underway, guided by these results. (paper)

  4. Modeling Temperature Dependent Singlet Exciton Dynamics in Multilayered Organic Nanofibers

    DEFF Research Database (Denmark)

    de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob

    2018-01-01

    Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers, but also by the behavior of the excitons generated...... dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a Kinetic Monte Carlo (KMC) model is employed in combination with a genetic algorithm to theoretically reproduce time resolved photoluminescence measurements...

  5. Tree-Structured Digital Organisms Model

    Science.gov (United States)

    Suzuki, Teruhiko; Nobesawa, Shiho; Tahara, Ikuo

    Tierra and Avida are well-known models of digital organisms. They describe a life process as a sequence of computation codes. A linear sequence model may not be the only way to describe a digital organism, though it is very simple for a computer-based model. Thus we propose a new digital organism model based on a tree structure, which is rather similar to the generic programming. With our model, a life process is a combination of various functions, as if life in the real world is. This implies that our model can easily describe the hierarchical structure of life, and it can simulate evolutionary computation through mutual interaction of functions. We verified our model by simulations that our model can be regarded as a digital organism model according to its definitions. Our model even succeeded in creating species such as viruses and parasites.

  6. Exact diagonalization library for quantum electron models

    Science.gov (United States)

    Iskakov, Sergei; Danilov, Michael

    2018-04-01

    We present an exact diagonalization C++ template library (EDLib) for solving quantum electron models, including the single-band finite Hubbard cluster and the multi-orbital impurity Anderson model. The observables that can be computed using EDLib are single particle Green's functions and spin-spin correlation functions. This code provides three different types of Hamiltonian matrix storage that can be chosen based on the model.

  7. Current voltage perspective of an organic electronic device

    Science.gov (United States)

    Mukherjee, Ayash K.; Kumari, Nikita

    2018-05-01

    Nonlinearity in current (I) - voltage (V) measurement is a well-known attribute of two-terminal organic device, irrespective of the geometrical or structural arrangement of the device. Most of the existing theories that are developed for interpretation of I-V data, either focus current-voltage relationship of charge injection mechanism across the electrode-organic material interface or charge transport mechanism through the organic active material. On the contrary, both the mechanisms work in tandem charge conduction through the device. The transport mechanism is further complicated by incoherent scattering from scattering centres/charge traps that are located at the electrode-organic material interface and in the bulk of organic material. In the present communication, a collective expression has been formulated that comprises of all the transport mechanisms that are occurring at various locations of a planar organic device. The model has been fitted to experimental I-V data of Au/P3HT/Au device with excellent degree of agreement. Certain physical parameters such as the effective area of cross-section and resistance due to charge traps have been extracted from the fit.

  8. The Anderson model for electron localisation

    International Nuclear Information System (INIS)

    Pruisken, A.M.M.; Schaefer, L.

    1982-01-01

    The Anderson model for localisation problems is treated with field theory employing the replica trick. We show that no valid perturbation theory results out of the usual (S2)2 formalism due to mishandling of symmetries. The problem is reformulated in terms of matrix fields. It is shown that the Anderson model asymptotically exhibits an exact local gauge symmetry. Elimination of massive longitudinal components leads to a non-compact sigma model, obtained earlier for the description of electronic disorder. We thus establish that the Anderson model is in the same universality class as Wegner's gauge invariant real matrix model. (orig.)

  9. Exploring the magnetic and organic microstructures with photoemission electron microscope

    Energy Technology Data Exchange (ETDEWEB)

    Wei, D.H., E-mail: dhw@nsrrc.org.tw [National Synchrotron Radiation Research Center, Hsinchu Science Park, 30076 Hsinchu, Taiwan (China); Chan, Yuet-Loy; Hsu, Yao-Jane [National Synchrotron Radiation Research Center, Hsinchu Science Park, 30076 Hsinchu, Taiwan (China)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer PEEM with polarized photon enables additional image contrasts and physical insights. Black-Right-Pointing-Pointer XMCD-based images reveal the shape-dependent domains in Ni80Fe20 microstructures. Black-Right-Pointing-Pointer XLD-based images confirm the success of molecular orientation controls. Black-Right-Pointing-Pointer The two interfaces in Co-Pn-Co structures are magnetically and chemically different. -- Abstract: We present photoemission electron microscopy (PEEM) studies on geometrically constrained ferromagnetic, organic, and organics-ferromagnet hybrid structures. Powered by an elliptically polarized undulator, the PEEM at Taiwan Light Source (TLS) is capable of recording polarization enhanced X-ray images and has been employed to examine the domain configurations in a lithographically patterned permalloy film as well as the orientations of pentacene molecules adsorbed on self-assembled monolayers (SAMs) modified gold surfaces. In addition, magnetic images acquired on cobalt/pentacene and pentacene/cobalt bilayers reveal that in hybrid structures the order of thin film deposition can lead to distinct domain configurations. Spectroscopic evidence further suggests that there is significant orbital hybridization at the interface where metallic cobalt was deposited directly on organic pentacene.

  10. Improving Charge Injection in Organic Electronic Devices Using Self-Assembled Monolayers

    Science.gov (United States)

    Campbell, I. H.; Kress, J. D.; Martin, R. L.; Smith, D. L.; Barashkov, N. N.; Ferraris, J. P.

    1997-03-01

    Organic electronic devices consist of one or more insulating organic layers contacted by metallic conductors. The Schottky energy barrier between the metal and the organic material is determined by the work function of the metal contact as described in the ideal Schottky model. The magnitude of the metal/organic Schottky energy barrier controls charge injection from the metal into the organic layer. Previously, polar alkane-thiol based self-assembled monolayers (SAMs) were used to change the Schottky energy barrier between the metal and an organic film by more than 1 eV. In these SAMs, the large energy gap of the alkane molecules blocks charge injection into the organic layer despite the decrease of the Schottky energy barrier. Here, we demonstrate improved charge injection into the organic material by using conjugated self-assembled monolayers. The conjugated SAMs have modest energy gaps which allow improved charge injection into the organic layer. We present measurements of current-voltage characteristics and metal/organic Schottky energy barriers for device structures both with and without conjugated SAMs.

  11. A Model for Electronic Good Governance in Electronic Learning Sector of Iran

    Directory of Open Access Journals (Sweden)

    Alireza Moghaddasi

    2016-10-01

    Full Text Available Despite the various models and frameworks on electronic good governance are introduced, the multiple dimensions model of electronic good governance in the field of e-Learning has not been reviewed this subject in a integrated, comprehensive, process-oriented and systematic model. In this article, in order to explain the process of electronic good governance, by a systematic review of the related literature and backgrounds, all factors were identified using meta-synthesis methodology. Then, based on grounded theory methodology and Strauss and Corbin paradigmatic approach, the open, axial and selective coding were conducted. In the following, by using survey method, we determined the importance and priority of all proposed factors. It was also indicated that this research was innovative in the fields of methodology, results and the proposed model which had not been considered in the previous researches. So that, the proposed model resolved the shortcomings of past researches and made it possible for the public sector, private and civil society organizations to consider the process of establishing electronic good governance in e-Learning sector in Iran as a dynamic process.

  12. Modelling organic particles in the atmosphere

    International Nuclear Information System (INIS)

    Couvidat, Florian

    2012-01-01

    Organic aerosol formation in the atmosphere is investigated via the development of a new model named H 2 O (Hydrophilic/Hydrophobic Organics). First, a parameterization is developed to take into account secondary organic aerosol formation from isoprene oxidation. It takes into account the effect of nitrogen oxides on organic aerosol formation and the hydrophilic properties of the aerosols. This parameterization is then implemented in H 2 O along with some other developments and the results of the model are compared to organic carbon measurements over Europe. Model performance is greatly improved by taking into account emissions of primary semi-volatile compounds, which can form secondary organic aerosols after oxidation or can condense when temperature decreases. If those emissions are not taken into account, a significant underestimation of organic aerosol concentrations occurs in winter. The formation of organic aerosols over an urban area was also studied by simulating organic aerosols concentration over the Paris area during the summer campaign of Megapoli (July 2009). H 2 O gives satisfactory results over the Paris area, although a peak of organic aerosol concentrations from traffic, which does not appear in the measurements, appears in the model simulation during rush hours. It could be due to an underestimation of the volatility of organic aerosols. It is also possible that primary and secondary organic compounds do not mix well together and that primary semi volatile compounds do not condense on an organic aerosol that is mostly secondary and highly oxidized. Finally, the impact of aqueous-phase chemistry was studied. The mechanism for the formation of secondary organic aerosol includes in-cloud oxidation of glyoxal, methylglyoxal, methacrolein and methylvinylketone, formation of methyltetrols in the aqueous phase of particles and cloud droplets, and the in-cloud aging of organic aerosols. The impact of wet deposition is also studied to better estimate the

  13. Electronic properties of metal-organic and organic-organic interfaces studied by photoemission and photoabsorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Molodtsova, Olga

    2006-07-01

    In this work systematic studies of the organic semiconductor CuPc have been presented. In general the investigation can be devided in three parts. In the first one we have studied the electronic structure of clean CuPc thin film. The next two parts are devoted to organic-organic and metal-organic interface formation, where one of the interface components is CuPc thin film. The main results of this thesis are: - The electronic structure of the pristine organic semiconductor CuPc has been obtained by a combination of conventional and resonant photoemission, near-edge X-ray absorption, as well as by theoretical ab initio quantum-chemical calculations. The contributions of different atomic species as well as sites of the CuPc molecule to the electronic DOS has been established. A combined experimental and theoretical study of the unoccupied electronic density of states of CuPc was presented. - The electronic properties of the organic heterointerfaces between fullerite and pristine copper phthalocyanine were studied. Both interfaces, CuPc/C{sub 60} and C{sub 60}/CuPc, were found to be non-reactive with pronounced shifts of the vacuum level pointing to the formation of an interfacial dipole mainly at the CuPc side of the heterojunctions. The dipole values are close to the difference of the work functions of the two materials. Important interface parameters and hole-injection barriers were obtained. The sequence of deposition does not influence the electronic properties of the interfaces. - CuPc doped with potassium was studied by means of photoemission and photoabsorption spectroscopy. A detailed analysis of the core-level PE spectra allows one to propose possible lattice sites, which harbor the potassium ions. The films prepared in this thesis showed no finite electronic density of states at the Fermi level. - Two stages of the In/CuPc interface formation have been distinguished. The low-coverage stage is characterized by a strong diffusion of the In atoms into the

  14. Field enhanced luminescence of irradiated organics due to electron tunnelling

    International Nuclear Information System (INIS)

    Charlesby, A.

    1981-01-01

    Many organic materials, following exposure to high energy radiation at low temperatures, continue to emit light for long periods. One possible mechanism is that electrons trapped near their parent cations can tunnel back over long times depending on trap depth and distance. This luminescence can be greatly enhanced by the post-radiation application of an external electric field. Calculations on the kinetics of recombination by tunnelling for various trap depths and distances are extended to allow for the effect of an electrical field subsequently applied. The quantitative results lead to two methods of assessing trap depth, depending on immediate light enhancement and on its subsequent decay. The effect of field reversal is also explained. (author)

  15. Organic Electronics for Point-of-Care Metabolite Monitoring.

    Science.gov (United States)

    Pappa, Anna-Maria; Parlak, Onur; Scheiblin, Gaetan; Mailley, Pascal; Salleo, Alberto; Owens, Roisin M

    2018-01-01

    In this review we focus on demonstrating how organic electronic materials can solve key problems in biosensing thanks to their unique material properties and implementation in innovative device configurations. We highlight specific examples where these materials solve multiple issues related to complex sensing environments, and we benchmark these examples by comparing them to state-of-the-art commercially available sensing using alternative technologies. We have categorized our examples by sample type, focusing on sensing from body fluids in vitro and on wearable sensors, which have attracted significant interest owing to their integration with everyday life activities. We finish by describing a future trend for in vivo, implantable sensors, which aims to build on current progress from sensing in biological fluids ex vivo. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Electron scattering in the interacting boson model

    International Nuclear Information System (INIS)

    Dieperink, A.E.L.; Iachello, F.; Creswell, C.

    1978-01-01

    It is suggested that the interacting boson model be used in the analysis of electron scattering data. Qualitative features of the expected behavior of the inelastic excitation of some 2 + states in the transitional Sm-Nd region are discussed. (Auth.)

  17. Electron Correlation Models for Optical Activity

    DEFF Research Database (Denmark)

    Höhn, E. G.; O. E. Weigang, Jr.

    1968-01-01

    A two-system no-overlap model for rotatory strength is developed for electric-dipole forbidden as well as allowed transitions. General equations which allow for full utilization of symmetry in the chromophore and in the environment are obtained. The electron correlation terms are developed in full...

  18. Modern electronic structure theory and applications in organic chemistry

    CERN Document Server

    Davidson, ER

    1997-01-01

    This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is n

  19. Spectromicroscopic Insights into the Morphology and Interfaces of Operational Organic Electronic Devices

    OpenAIRE

    Du, Xiaoyan

    2017-01-01

    Organic electronics, e.g., organic field-effect transistors (OFETs), organic solar cells (OSCs) and organic light-emitting diodes (OLEDs), have attracted strong interest in both academia and industry during the last decades due to their unique capabilities offered by organic semiconductors. The micro-/nano-structures in active layers and the interface engineering in organic electronics are extremely important for desired device functionalities. In this thesis, the structure-function relations...

  20. Device model investigation of bilayer organic light emitting diodes

    International Nuclear Information System (INIS)

    Crone, B. K.; Davids, P. S.; Campbell, I. H.; Smith, D. L.

    2000-01-01

    Organic materials that have desirable luminescence properties, such as a favorable emission spectrum and high luminescence efficiency, are not necessarily suitable for single layer organic light-emitting diodes (LEDs) because the material may have unequal carrier mobilities or contact limited injection properties. As a result, single layer LEDs made from such organic materials are inefficient. In this article, we present device model calculations of single layer and bilayer organic LED characteristics that demonstrate the improvements in device performance that can occur in bilayer devices. We first consider an organic material where the mobilities of the electrons and holes are significantly different. The role of the bilayer structure in this case is to move the recombination away from the electrode that injects the low mobility carrier. We then consider an organic material with equal electron and hole mobilities but where it is not possible to make a good contact for one carrier type, say electrons. The role of a bilayer structure in this case is to prevent the holes from traversing the device without recombining. In both cases, single layer device limitations can be overcome by employing a two organic layer structure. The results are discussed using the calculated spatial variation of the carrier densities, electric field, and recombination rate density in the structures. (c) 2000 American Institute of Physics

  1. Fossil micro-organisms evidenced by electronic microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Prashnowsky, A.A.; Oberlies, F.; Burger, K.

    1983-04-01

    Fossil microorganisms in colonies and in the form of isolated cells (iron bacteria, fungi, actinomycetes etc.) were detected by electron microscopy of rocks containing remains of plant roots, carbonaceous substance, and strata of clay iron stone with ooids. These findings suggest an environment favourable to bacterial activity during sedimentation in the Upper Carboniferous and during the later processes of peat and coal formation. They also suggest that bacterial processes are an important factor in coal formation. Accurate data on coal formation can only be obtained by systematic biochemical studies. Analyses of the defined organic substances provide a better understanding of the conversion processes of the original substances. For example, the results of sterine analysis provide information on the mycoplancton, phytoplancton and zooplancton of the Upper Carboniferous. For some types of rock, the ratio of saponifiable to non-saponifiable constituents of the organic compounds yield information on stability under various geochemical conditions. The interactions between the various groups of microorganisms also play a major role in the solution of ecological problems.

  2. Exploring the magnetic and organic microstructures with photoemission electron microscope

    International Nuclear Information System (INIS)

    Wei, D.H.; Chan, Yuet-Loy; Hsu, Yao-Jane

    2012-01-01

    Highlights: ► PEEM with polarized photon enables additional image contrasts and physical insights. ► XMCD-based images reveal the shape-dependent domains in Ni80Fe20 microstructures. ► XLD-based images confirm the success of molecular orientation controls. ► The two interfaces in Co–Pn–Co structures are magnetically and chemically different. -- Abstract: We present photoemission electron microscopy (PEEM) studies on geometrically constrained ferromagnetic, organic, and organics–ferromagnet hybrid structures. Powered by an elliptically polarized undulator, the PEEM at Taiwan Light Source (TLS) is capable of recording polarization enhanced X-ray images and has been employed to examine the domain configurations in a lithographically patterned permalloy film as well as the orientations of pentacene molecules adsorbed on self-assembled monolayers (SAMs) modified gold surfaces. In addition, magnetic images acquired on cobalt/pentacene and pentacene/cobalt bilayers reveal that in hybrid structures the order of thin film deposition can lead to distinct domain configurations. Spectroscopic evidence further suggests that there is significant orbital hybridization at the interface where metallic cobalt was deposited directly on organic pentacene.

  3. Model Order Reduction for Electronic Circuits:

    DEFF Research Database (Denmark)

    Hjorth, Poul G.; Shontz, Suzanne

    Electronic circuits are ubiquitous; they are used in numerous industries including: the semiconductor, communication, robotics, auto, and music industries (among many others). As products become more and more complicated, their electronic circuits also grow in size and complexity. This increased...... in the semiconductor industry. Circuit simulation proceeds by using Maxwell’s equations to create a mathematical model of the circuit. The boundary element method is then used to discretize the equations, and the variational form of the equations are then solved on the graph network....

  4. Modelling the fate of oxidisable organic contaminants in groundwater

    DEFF Research Database (Denmark)

    Barry, D.A.; Prommer, H.; Miller, C.T.

    2002-01-01

    modelling framework is illustrated by pertinent examples, showing the degradation of dissolved organics by microbial activity limited by the availability of nutrients or electron acceptors (i.e., changing redox states), as well as concomitant secondary reactions. Two field-scale modelling examples......Subsurface contamination by organic chemicals is a pervasive environmental problem, susceptible to remediation by natural or enhanced attenuation approaches or more highly engineered methods such as pump-and-treat, amongst others. Such remediation approaches, along with risk assessment...... are discussed, the Vejen landfill (Denmark) and an example where metal contamination is remediated by redox changes wrought by injection of a dissolved organic compound. A summary is provided of current and likely future challenges to modelling of oxidisable organics in the subsurface. (C) 2002 Elsevier Science...

  5. A model for disruption generated runaway electrons

    International Nuclear Information System (INIS)

    Russo, A.J.; Campbell, R.B.

    1993-01-01

    One of the possible consequences of disruptions in tokamaks is the generation of runaway electrons which can impact plasma facing components and cause damage, owing to high local energy deposition. This problem becomes more serious as the machine size and plasma current increase. Since large size and high currents are characteristics of proposed future machines, control of runaway generation is an important design consideration. A lumped circuit model for disruption runaway electron generation indicates that impurity concentration and type, as well as plasma motion, can strongly influence runaway behaviour. A comparison of disruption data from several runs on JET and DIII-D with model results demonstrate the effects of impurities, and plasma motion, on runaway number density and energy. The model is also applied to the calculation of runaway currents for ITER. (author). 16 refs, 13 figs

  6. Modeling the Nab Experiment Electronics in SPICE

    Science.gov (United States)

    Blose, Alexander; Crawford, Christopher; Sprow, Aaron; Nab Collaboration

    2017-09-01

    The goal of the Nab experiment is to measure the neutron decay coefficients a, the electron-neutrino correlation, as well as b, the Fierz interference term to precisely test the Standard Model, as well as probe for Beyond the Standard Model physics. In this experiment, protons from the beta decay of the neutron are guided through a magnetic field into a Silicon detector. Event reconstruction will be achieved via time-of-flight measurement for the proton and direct measurement of the coincident electron energy in highly segmented silicon detectors, so the amplification circuitry needs to preserve fast timing, provide good amplitude resolution, and be packaged in a high-density format. We have designed a SPICE simulation to model the full electronics chain for the Nab experiment in order to understand the contributions of each stage and optimize them for performance. Additionally, analytic solutions to each of the components have been determined where available. We will present a comparison of the output from the SPICE model, analytic solution, and empirically determined data.

  7. Stochastic model of the spinning electron

    International Nuclear Information System (INIS)

    Simaciu, I.; Borsos, Z.

    2002-01-01

    In Stochastic Electrodynamics (SED) it is demonstrated that electrostatic interaction is the result of the scattering of the Classical Zero-Point Field (CZPF) background by the charged particles. In such models, the electron is modelled as a two-dimensional oscillator, which interacts with the electric component of the CZPF background. The electron with spin is not only an electric monopole but also a magnetic dipole. The interaction of the spin electron with the CZPF background is not only electric but also magnetic. We calculate the scattering cross-section of magnetic dipole in the situation when a magnetic field, variable in time B arrow = B 0 arrow sin ωt, acts over the rigid magnetic dipole given by the symmetry of the model. The cross-section of a magnetic dipole σ m must be equal to the cross-section of an electric monopole σ e . This equality between σ m and σ e cross-sections is motivated, too, by the fact that, in the model of the two-dimensional oscillator, the electric charge q e has the motion speed c. (authors)

  8. INFLUENCE OF THE SKELETON HIERARCHICAL ORGANIZATION ON ELECTRONIC STATE OF IONS IN BONE MATRIX

    Directory of Open Access Journals (Sweden)

    A. S. Avrunin

    2016-01-01

    Full Text Available The authors suggested the 3D-superlattice (3DSL model to describe the effect of coplanar assembly of the hydroxyapatite (HA nanocrystallites on local electronic state of ions in mineralized bone. This model is based on the main structural and functional relationships between adjacent levels of the hierarchical organization of bone tissue. In the framework of the 3DSL model the authors predicted the distinct assembly-to-crystal red shift of the unoccupied electronic states located near the bottom of the conduction band in HA and dependence of this shift on the ratio of the thickness of the hydrated layer to the crystallite size. To check these predictions the experimental X-ray absorption studies of native bone are performed near the Ca2р1/2,3/2-, P2р1/2,3/2- и O1s edges. Comparison of the measured spectra with the known spectra of the reference compounds has confirmed appearance of the distinct assembly-to-crystal red shift. The observed effect is the ground for development of new diagnostic methods for bone status and imaging changes in the local electronic structure of bone tissue by using ultrasoft X-ray absorption spectroscopy and measuring the assembly-tocrystal shifts. The experimental data analysis proved the applicability of the 3DSL model for better understanding of the hierarchical organization of bone at nanolevel.

  9. Organic production in a dynamic CGE model

    DEFF Research Database (Denmark)

    Jacobsen, Lars Bo

    2004-01-01

    for conventional production into land for organic production, a period of two years must pass before the land being transformed can be used for organic production. During that time, the land is counted as land of the organic industry, but it can only produce the conventional product. To handle this rule, we make......Concerns about the impact of modern agriculture on the environment have in recent years led to an interest in supporting the development of organic farming. In addition to environmental benefits, the aim is to encourage the provision of other “multifunctional” properties of organic farming...... such as rural amenities and rural development that are spillover benefit additional to the supply of food. In this paper we further develop an existing dynamic general equilibrium model of the Danish economy to specifically incorporate organic farming. In the model and input-output data each primary...

  10. Classical Electron Model with QED Corrections

    OpenAIRE

    Lenk, Ron

    2010-01-01

    In this article we build a metric for a classical general relativistic electron model with QED corrections. We calculate the stress-energy tensor for the radiative corrections to the Coulomb potential in both the near-field and far-field approximations. We solve the three field equations in both cases by using a perturbative expansion to first order in alpha (the fine-structure constant) while insisting that the usual (+, +, -, -) structure of the stress-energy tensor is maintained. The resul...

  11. Models of fast-electron penetration

    International Nuclear Information System (INIS)

    Perry, D.J.; Raisis, S.K.

    1994-01-01

    We introduce multiple scattering models of charged-particle penetration which are based on the previous analyses of Yang and Perry. Our development removes the main limitations of the Fermi-Eyges approach while retaining its considerable potential as a theory which is useful for applied work. We illustrate key predictions with sample calculations that are of particular interest in therapeutic applications, 5-20 MeV electrons incident on water. 8 refs., 5 figs

  12. Electrochemical impedance spectroscopy for study of electronic structure in disordered organic semiconductors—Possibilities and limitations

    Science.gov (United States)

    Schauer, F.; Nádaždy, V.; Gmucová, K.

    2018-04-01

    There is potential in applying conjugated polymers in novel organic optoelectronic devices, where a comprehensive understanding of the fundamental processes and energetics involved during transport and recombination is still lacking, limiting further device optimization. The electronic transport modeling and its optimization need the energy distribution of transport and defect states, expressed by the energy distribution of the Density of States (DOS) function, as input/comparative parameters. We present the Energy Resolved-Electrochemical Impedance Spectroscopy (ER-EIS) method for the study of transport and defect electronic states in organic materials. The method allows mapping over unprecedentedly wide energy and DOS ranges. The ER-EIS spectroscopic method is based on the small signal interaction between the surface of the organic film and the liquid electrolyte containing reduction-oxidation (redox) species, which is similar to the extraction of an electron by an acceptor and capture of an electron by a donor at a semiconductor surface. The desired DOS of electronic transport and defect states can be derived directly from the measured redox response signal to the small voltage perturbation at the instantaneous position of the Fermi energy, given by the externally applied voltage. The theory of the ER-EIS method and conditions for its validity for solid polymers are presented in detail. We choose four case studies on poly(3-hexylthiophene-2,5-diyl) and poly[methyl(phenyl)silane] to show the possibilities of the method to investigate the electronic structure expressed by DOS of polymers with a high resolution of about 6 orders of magnitude and in a wide energy range of 6 eV.

  13. Cardiac Electromechanical Models: From Cell to Organ

    Directory of Open Access Journals (Sweden)

    Natalia A Trayanova

    2011-08-01

    Full Text Available The heart is a multiphysics and multiscale system that has driven the development of the most sophisticated mathematical models at the frontiers of computation physiology and medicine. This review focuses on electromechanical (EM models of the heart from the molecular level of myofilaments to anatomical models of the organ. Because of the coupling in terms of function and emergent behaviors at each level of biological hierarchy, separation of behaviors at a given scale is difficult. Here, a separation is drawn at the cell level so that the first half addresses subcellular/single cell models and the second half addresses organ models. At the subcelluar level, myofilament models represent actin-myosin interaction and Ca-based activation. Myofilament models and their refinements represent an overview of the development in the field. The discussion of specific models emphasizes the roles of cooperative mechanisms and sarcomere length dependence of contraction force, considered the cellular basis of the Frank-Starling law. A model of electrophysiology and Ca handling can be coupled to a myofilament model to produce an EM cell model, and representative examples are summarized to provide an overview of the progression of field. The second half of the review covers organ-level models that require solution of the electrical component as a reaction-diffusion system and the mechanical component, in which active tension generated by the myocytes produces deformation of the organ as described by the equations of continuum mechanics. As outlined in the review, different organ-level models have chosen to use different ionic and myofilament models depending on the specific application; this choice has been largely dictated by compromises between model complexity and computational tractability. The review also addresses application areas of EM models such as cardiac resynchronization therapy and the role of mechano-electric coupling in arrhythmias and

  14. Project-matrix models of marketing organization

    Directory of Open Access Journals (Sweden)

    Gutić Dragutin

    2009-01-01

    Full Text Available Unlike theory and practice of corporation organization, in marketing organization numerous forms and contents at its disposal are not reached until this day. It can be well estimated that marketing organization today in most of our companies and in almost all its parts, noticeably gets behind corporation organization. Marketing managers have always been occupied by basic, narrow marketing activities as: sales growth, market analysis, market growth and market share, marketing research, introduction of new products, modification of products, promotion, distribution etc. They rarely found it necessary to focus a bit more to different aspects of marketing management, for example: marketing planning and marketing control, marketing organization and leading. This paper deals with aspects of project - matrix marketing organization management. Two-dimensional and more-dimensional models are presented. Among two-dimensional, these models are analyzed: Market management/products management model; Products management/management of product lifecycle phases on market model; Customers management/marketing functions management model; Demand management/marketing functions management model; Market positions management/marketing functions management model. .

  15. Model potential for electron scattering from rubidium

    Energy Technology Data Exchange (ETDEWEB)

    Gien, T.E. (Memorial Univ. of Newfoundland, St. John' s, NF (Canada). Dept. of Physics)

    1992-11-28

    An analytic model potential for the e[sup -]-Rb[sup +] system is generated from experimental data, using an iteration method. The potential obtained can reproduce rather accurately the energy levels of rubidium. We employed it in the calculation of elastic differential cross sections for electron (and positron) scatterings from rubidium in the conventional Glauber approximation. The differential cross sections calculated in the model potential approach are compared to those in the frozen-core approach, employing either the Clementi-Roetti or the Szasz-McGinn wavefunctions. The core correlation and polarization effects are found to significantly affect the cross section results. (author).

  16. Model potential for electron scattering from rubidium

    International Nuclear Information System (INIS)

    Gien, T.E.

    1992-01-01

    An analytic model potential for the e - -Rb + system is generated from experimental data, using an iteration method. The potential obtained can reproduce rather accurately the energy levels of rubidium. We employed it in the calculation of elastic differential cross sections for electron (and positron) scatterings from rubidium in the conventional Glauber approximation. The differential cross sections calculated in the model potential approach are compared to those in the frozen-core approach, employing either the Clementi-Roetti or the Szasz-McGinn wavefunctions. The core correlation and polarization effects are found to significantly affect the cross section results. (author)

  17. The Zebrafish Model Organism Database (ZFIN)

    Data.gov (United States)

    U.S. Department of Health & Human Services — ZFIN serves as the zebrafish model organism database. It aims to: a) be the community database resource for the laboratory use of zebrafish, b) develop and support...

  18. Complex Systems and Self-organization Modelling

    CERN Document Server

    Bertelle, Cyrille; Kadri-Dahmani, Hakima

    2009-01-01

    The concern of this book is the use of emergent computing and self-organization modelling within various applications of complex systems. The authors focus their attention both on the innovative concepts and implementations in order to model self-organizations, but also on the relevant applicative domains in which they can be used efficiently. This book is the outcome of a workshop meeting within ESM 2006 (Eurosis), held in Toulouse, France in October 2006.

  19. Applications of Organic and Printed Electronics A Technology-Enabled Revolution

    CERN Document Server

    2013-01-01

    Organic and printed electronics can enable a revolution in the applications of electronics and this book offers readers an overview of the state-of-the-art in this rapidly evolving domain.  The potentially low cost, compatibility with flexible substrates and the wealth of devices that characterize organic and printed electronics will make possible applications that go far beyond the well-known displays made with large-area silicon electronics. Since organic electronics are still in their early stage, undergoing transition from lab-scale and prototype activities to production, this book serves as a valuable snapshot of the current landscape of the different devices enabled by this technology, reviewing all applications that are developing and those can be foreseen.   Provides a complete roadmap for organic and printed electronics research and development for the next several years; Includes an overview of the printing processes for organic electronics, along with state of the art applications, such as solar ...

  20. Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

    KAUST Repository

    Nielsen, Christian B.; Holliday, Sarah; Chen, Hung-Yang; Cryer, Samuel J.; McCulloch, Iain

    2015-01-01

    The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted

  1. Electrochemical model of the polyaniline based organic memristive device

    International Nuclear Information System (INIS)

    Demin, V. A.; Erokhin, V. V.; Kashkarov, P. K.; Kovalchuk, M. V.

    2014-01-01

    The electrochemical organic memristive device with polyaniline active layer is a stand-alone device designed and realized for reproduction of some synapse properties in the innovative electronic circuits, including the neuromorphic networks capable for learning. In this work, a new theoretical model of the polyaniline memristive is presented. The developed model of organic memristive functioning was based on the detailed consideration of possible electrochemical processes occuring in the active zone of this device. Results of the calculation have demonstrated not only the qualitative explanation of the characteristics observed in the experiment but also the quantitative similarities of the resultant current values. It is shown how the memristive could behave at zero potential difference relative to the reference electrode. This improved model can establish a basis for the design and prediction of properties of more complicated circuits and systems (including stochastic ones) based on the organic memristive devices

  2. Quantitative Analysis of Electron Beam Damage in Organic Thin Films

    OpenAIRE

    Leijten, Zino J. W. A.; Keizer, Arthur D. A.; de With, Gijsbertus; Friedrich, Heiner

    2017-01-01

    In transmission electron microscopy (TEM) the interaction of an electron beam with polymers such as P3HT:PCBM photovoltaic nanocomposites results in electron beam damage, which is the most important factor limiting acquisition of structural or chemical data at high spatial resolution. Beam effects can vary depending on parameters such as electron dose rate, temperature during imaging, and the presence of water and oxygen in the sample. Furthermore, beam damage will occur at different length s...

  3. 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

  4. Lamination of organic solar cells and organic light emitting devices: Models and experiments

    International Nuclear Information System (INIS)

    Oyewole, O. K.; Yu, D.; Du, J.; Asare, J.; Fashina, A.; Anye, V. C.; Zebaze Kana, M. G.; Soboyejo, W. O.

    2015-01-01

    In this paper, a combined experimental, computational, and analytical approach is used to provide new insights into the lamination of organic solar cells and light emitting devices at macro- and micro-scales. First, the effects of applied lamination force (on contact between the laminated layers) are studied. The crack driving forces associated with the interfacial cracks (at the bi-material interfaces) are estimated along with the critical interfacial crack driving forces associated with the separation of thin films, after layer transfer. The conditions for successful lamination are predicted using a combination of experiments and computational models. Guidelines are developed for the lamination of low-cost organic electronic structures

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

    KAUST Repository

    Bakulin, Artem A.; Lovrincic, Robert; Yu, Xi; Selig, Oleg; Bakker, Huib J.; Rezus, Yves L. A.; Nayak, Pabitra K.; Fonari, Alexandr; Coropceanu, Veaceslav; Bredas, Jean-Luc; Cahen, David

    2015-01-01

    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.

  6. 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.

  7. Analysis of operating model of electronic invoice colombian Colombian electronic billing analysis of the operational model

    Directory of Open Access Journals (Sweden)

    Sérgio Roberto da Silva

    2016-06-01

    Full Text Available Colombia has been one of the first countries to introduce electronic billing process on a voluntary basis, from a traditional to a digital version. In this context, the article analyzes the electronic billing process implemented in Colombia and the advantages. Methodological research is applied, qualitative, descriptive and documentary; where the regulatory framework and the conceptualization of the model is identified; the process of adoption of electronic billing is analyzed, and finally the advantages and disadvantages of its implementation is analyzed. The findings indicate that the model applied in Colombia to issue an electronic billing in sending and receiving process, is not complex, but it requires a small adequate infrastructure and trained personnel to reach all sectors, especially the micro and business which is the largest business network in the country.

  8. Modeling self-organization of novel organic materials

    Science.gov (United States)

    Sayar, Mehmet

    In this thesis, the structural organization of oligomeric multi-block molecules is analyzed by computational analysis of coarse-grained models. These molecules form nanostructures with different dimensionalities, and the nanostructured nature of these materials leads to novel structural properties at different length scales. Previously, a number of oligomeric triblock rodcoil molecules have been shown to self-organize into mushroom shaped noncentrosymmetric nanostructures. Interestingly, thin films of these molecules contain polar domains and a finite macroscopic polarization. However, the fully polarized state is not the equilibrium state. In the first chapter, by solving a model with dipolar and Ising-like short range interactions, we show that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a ≈ 6 nm), leading to a reduction in the repulsive dipolar interactions that oppose polar order within layers. This enables the formation of a striped pattern with polar domains of alternating directions. The energies of the possible structures at zero temperature are computed exactly and results of Monte Carlo simulations are provided at non-zero temperatures. In the second chapter, the macroscopic polarization of such nanostructured films is analyzed in the presence of a short range surface interaction. The surface interaction leads to a periodic domain structure where the balance between the up and down domains is broken, and therefore films of finite thickness have a net macroscopic polarization. The polarization per unit volume is a function of film thickness and strength of the surface interaction. Finally, in chapter three, self-organization of organic molecules into a network of one dimensional objects is analyzed. Multi-block organic dendron rodcoil molecules were found to self-organize into supramolecular nanoribbons (threads) and

  9. Modelling transport in single electron transistor

    International Nuclear Information System (INIS)

    Dinh Sy Hien; Huynh Lam Thu Thao; Le Hoang Minh

    2009-01-01

    We introduce a model of single electron transistor (SET). Simulation programme of SET is used as the exploratory tool in order to gain better understanding of process and device physics. This simulator includes a graphic user interface (GUI) in Matlab. The SET was simulated using GUI in Matlab to get current-voltage (I-V) characteristics. In addition, effects of device capacitance, bias, temperature on the I-V characteristics were obtained. In this work, we review the capabilities of the simulator of the SET. Typical simulations of the obtained I-V characteristics of the SET are presented.

  10. Robust digital design in organic electronics by dual-gate technology

    NARCIS (Netherlands)

    Myny, K.; Beenhakkers, M.J.; Aerle, N.A.J.M. van; Gelinck, G.H.; Genoe, J.; Dehaene, W.; Heremans, P.

    2010-01-01

    Research towards organic RFID tags is one of the drivers of organic electronics. In recent years, 64b organic RFID tags have been shown with capacitive coupling [1] and inductive coupling at 13.56 MHz [2,3]. Recent improvements were a 128b organic transponder chip with basic anti-collision and

  11. Inkjet printing and low temperature sintering for organic electronic applications

    NARCIS (Netherlands)

    Wünscher, S.; Teichler, A.; Perelaer, J.; Abbel, R.J.; Schubert, U.S.

    2012-01-01

    In recent years, inkjet printing is increasingly used as a flexible and digital patterning technique in order to deposit functional materials for the manufacturing of microelectronic applications, including radio frequency identification (RFID) tags, organic photovoltaics (OPV), organic light

  12. An experimental electronic model for a neuronal cell

    International Nuclear Information System (INIS)

    Campos-Cantón, I; Martel-Gallegos, G; Rangel-López, A; Vertiz-Hérnandez, A; Zarazúa, S

    2014-01-01

    Over the last two decades, the study of information transmission in living beings has acquired great relevance, because it regulates and conducts the functioning of all of the organs in the body. In information transmission pathways, the neuron plays an important role in that it receives, transmits, and processes electrical signals from different parts of the human body; these signals are transmitted as electrical impulses called action potentials, and they transmit information from one neuron to another. In this work, and with the aim of developing experiments for teaching biological processes, we implemented an electronic circuit of the neuron cell device and its mathematical model based on piecewise linear functions. (paper)

  13. The conceptual model of organization social responsibility

    OpenAIRE

    LUO, Lan; WEI, Jingfu

    2014-01-01

    With the developing of the research of CSR, people more and more deeply noticethat the corporate should take responsibility. Whether other organizations besides corporatesshould not take responsibilities beyond their field? This paper puts forward theconcept of organization social responsibility on the basis of the concept of corporate socialresponsibility and other theories. And the conceptual models are built based on theconception, introducing the OSR from three angles: the types of organi...

  14. Model based design of electronic throttle control

    Science.gov (United States)

    Cherian, Fenin; Ranjan, Ashish; Bhowmick, Pathikrit; Rammohan, A.

    2017-11-01

    With the advent of torque based Engine Management Systems, the precise control and robust performance of the throttle body becomes a key factor in the overall performance of the vehicle. Electronic Throttle Control provides benefits such as improved air-fuel ratio for improving the vehicle performance and lower exhausts emissions to meet the stringent emission norms. Modern vehicles facilitate various features such as Cruise Control, Traction Control, Electronic Stability Program and Pre-crash systems. These systems require control over engine power without driver intervention, which is not possible with conventional mechanical throttle system. Thus these systems are integrated to function with the electronic throttle control. However, due to inherent non-linearities in the throttle body, the control becomes a difficult task. In order to eliminate the influence of this hysteresis at the initial operation of the butterfly valve, a control to compensate the shortage must be added to the duty required for starting throttle operation when the initial operation is detected. Therefore, a lot of work is being done in this field to incorporate the various nonlinearities to achieve robust control. In our present work, the ETB was tested to verify the working of the system. Calibration of the TPS sensors was carried out in order to acquire accurate throttle opening angle. The response of the calibrated system was then plotted against a step input signal. A linear model of the ETB was prepared using Simulink and its response was compared with the experimental data to find out the initial deviation of the model from the actual system. To reduce this deviation, non-linearities from existing literature were introduced to the system and a response analysis was performed to check the deviation from the actual system. Based on this investigation, an introduction of a new nonlinearity parameter can be used in future to reduce the deviation further making the control of the ETB more

  15. Modeling ion sensing in molecular electronics

    International Nuclear Information System (INIS)

    Chen, Caroline J.; Smeu, Manuel; Ratner, Mark A.

    2014-01-01

    We examine the ability of molecules to sense ions by measuring the change in molecular conductance in the presence of such charged species. The detection of protons (H + ), alkali metal cations (M + ), calcium ions (Ca 2+ ), and hydronium ions (H 3 O + ) is considered. Density functional theory (DFT) is used within the Keldysh non-equilibrium Green's function framework (NEGF) to model electron transport properties of quinolinedithiol (QDT, C 9 H 7 NS 2 ), bridging Al electrodes. The geometry of the transport region is relaxed with DFT. The transport properties of the device are modeled with NEGF-DFT to determine if this device can distinguish among the M + + QDT species containing monovalent cations, where M + = H + , Li + , Na + , or K + . Because of the asymmetry of QDT in between the two electrodes, both positive and negative biases are considered. The electron transmission function and conductance properties are simulated for electrode biases in the range from −0.5 V to 0.5 V at increments of 0.1 V. Scattering state analysis is used to determine the molecular orbitals that are the main contributors to the peaks in the transmission function near the Fermi level of the electrodes, and current-voltage relationships are obtained. The results show that QDT can be used as a proton detector by measuring transport through it and can conceivably act as a pH sensor in solutions. In addition, QDT may be able to distinguish among different monovalent species. This work suggests an approach to design modern molecular electronic conductance sensors with high sensitivity and specificity using well-established quantum chemistry

  16. An Empirical Study of Logistics Organization, Electronic Linkage, and Performance

    Science.gov (United States)

    1993-01-01

    Anvari, M., "Electronic Data Interchange and Inventories," International Journal of Production Economics , 26, 1-3 (1992), 135-143. Baker, R. H., EDI: What...Electronic Data Interchange -- A Study of Norwegian Freight Forwarders Using EDI," International Journal of Production Economics , 24 (1991), 91-101. Henry, G

  17. Organic photovoltaic cell incorporating electron conducting exciton blocking layers

    Science.gov (United States)

    Forrest, Stephen R.; Lassiter, Brian E.

    2014-08-26

    The present disclosure relates to photosensitive optoelectronic devices including a compound blocking layer located between an acceptor material and a cathode, the compound blocking layer including: at least one electron conducting material, and at least one wide-gap electron conducting exciton blocking layer. For example, 3,4,9,10 perylenetetracarboxylic bisbenzimidazole (PTCBI) and 1,4,5,8-napthalene-tetracarboxylic-dianhydride (NTCDA) function as electron conducting and exciton blocking layers when interposed between the acceptor layer and cathode. Both materials serve as efficient electron conductors, leading to a fill factor as high as 0.70. By using an NTCDA/PTCBI compound blocking layer structure increased power conversion efficiency is achieved, compared to an analogous device using a conventional blocking layers shown to conduct electrons via damage-induced midgap states.

  18. Putting "Organizations" into an Organization Theory Course: A Hybrid CAO Model for Teaching Organization Theory

    Science.gov (United States)

    Hannah, David R.; Venkatachary, Ranga

    2010-01-01

    In this article, the authors present a retrospective analysis of an instructor's multiyear redesign of a course on organization theory into what is called a hybrid Classroom-as-Organization model. It is suggested that this new course design served to apprentice students to function in quasi-real organizational structures. The authors further argue…

  19. The Dismantling of the Japanese Model in Consumer Electronics

    DEFF Research Database (Denmark)

    Frøslev Christensen, Jens; Holm Olesen, Michael; Kjær, Jonas

    This paper addresses an issue of great importance for the future organization of the consumerelectronics industry: the "battle" of control over component-based digitization. We are now witnessing the dismantling of the Japanese Model that has prevailed in consumer electronicsover the past 30 years....... Specialized and large-scale component suppliers have taken the lead inmost component-based innovations and have obtained increasingly powerful positions in thevalue chain of consumer electronics. This paper provides an in-depth study of the strategic andstructural ramifications of one such component...... technology. Aframework is developed to explain the reluctance of most of the large consumer electronicsgiants in developing/adopting this new technology.Key words: Consumer electronics, Industrial dynamics, Open InnovationJEL Codes: L6, L68, O32...

  20. Electronic Commerce Success Model: A Search for Multiple Criteria

    Directory of Open Access Journals (Sweden)

    Didi Achjari

    2004-01-01

    Full Text Available The current study attempts to develop and examine framework of e-commerce success. In order to obtain comprehensive and robust measures, the framework accomodates key factors that are identified in the literature concerning the success of electronic commerce. The structural model comprises of four exogenous variables (Internal Driver, Internal Impediment, External Driver and Exgternal Impediment and one endogenous variable (Electornic Commerce Success eith 24 observed variables. The study that was administered within large Australian companies using questionaire survey concluded that benefits for both internal organization and external parties from the use of e-commerce were the main factor tro predict perceived and/or expected success of electronic commerce.

  1. Organic electronics: materials, technology and circuit design developments enabling new applications

    NARCIS (Netherlands)

    Leeuw, de D.M.; Cantatore, E.

    2009-01-01

    Organic electronics is growing to become an important new field in the global electronics market. RFID labels, flexible displays, solar cells, OLED-based lighting and displays are only some of the innovative products enabled by technologies based on organic semiconductors. Starting from a short

  2. Smooth Growth of Organic Semiconductor Films on Graphene for High-Efficiency Electronics

    NARCIS (Netherlands)

    Hlawacek, G.; Khokhar, F.S.; van Gastel, Raoul; Poelsema, Bene; Teichert, Christian

    2011-01-01

    High-quality thin films of conjugated molecules with smooth interfaces are important to assist the advent of organic electronics. Here, we report on the layer-by-layer growth of the organic semiconductor molecule p-sexiphenyl (6P) on the transparent electrode material graphene. Low energy electron

  3. Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility.

    Science.gov (United States)

    Friederich, Pascal; Gómez, Verónica; Sprau, Christian; Meded, Velimir; Strunk, Timo; Jenne, Michael; Magri, Andrea; Symalla, Franz; Colsmann, Alexander; Ruben, Mario; Wenzel, Wolfgang

    2017-11-01

    Organic semiconductors find a wide range of applications, such as in organic light emitting diodes, organic solar cells, and organic field effect transistors. One of their most striking disadvantages in comparison to crystalline inorganic semiconductors is their low charge-carrier mobility, which manifests itself in major device constraints such as limited photoactive layer thicknesses. Trial-and-error attempts to increase charge-carrier mobility are impeded by the complex interplay of the molecular and electronic structure of the material with its morphology. Here, the viability of a multiscale simulation approach to rationally design materials with improved electron mobility is demonstrated. Starting from one of the most widely used electron conducting materials (Alq 3 ), novel organic semiconductors with tailored electronic properties are designed for which an improvement of the electron mobility by three orders of magnitude is predicted and experimentally confirmed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Quantitative analysis of different volatile organic compounds using an improved electronic nose

    International Nuclear Information System (INIS)

    Gao, Daqi; Ji, Jiuming; Gong, Jiayu; Cai, Chaoqian

    2012-01-01

    This paper sets up an improved electronic nose with an automatic sampling mode, large volumetric vapors and constant temperature for headspace vapors and gas sensor array. In order to facilitate the fast recovery and good repeatability of gas sensors, the steps taken include (A) short-time contact with odors measured; (B) long-time purification using environmental air; (C) exact calibration using clean air before sampling. We employ multiple single-output perceptrons to discriminate and quantify multiple kinds of odors. This task is first regarded as multiple two-class discrimination problems and then multiple quantification problems, and accomplished by multiple single-output perceptrons followed by multiple single-output perceptrons. The experimental results for measuring and quantifying 12 kinds of volatile organic compounds with changing concentrations show that the type of electronic nose with a hierarchical perceptron model has a simple structure, easy operation, good repeatability and good discrimination and quantification performance. (paper)

  5. Quantitative analysis of different volatile organic compounds using an improved electronic nose

    Science.gov (United States)

    Gao, Daqi; Ji, Jiuming; Gong, Jiayu; Cai, Chaoqian

    2012-10-01

    This paper sets up an improved electronic nose with an automatic sampling mode, large volumetric vapors and constant temperature for headspace vapors and gas sensor array. In order to facilitate the fast recovery and good repeatability of gas sensors, the steps taken include (A) short-time contact with odors measured; (B) long-time purification using environmental air; (C) exact calibration using clean air before sampling. We employ multiple single-output perceptrons to discriminate and quantify multiple kinds of odors. This task is first regarded as multiple two-class discrimination problems and then multiple quantification problems, and accomplished by multiple single-output perceptrons followed by multiple single-output perceptrons. The experimental results for measuring and quantifying 12 kinds of volatile organic compounds with changing concentrations show that the type of electronic nose with a hierarchical perceptron model has a simple structure, easy operation, good repeatability and good discrimination and quantification performance.

  6. Ultrafast Electron Transfer at Organic Semiconductor Interfaces: Importance of Molecular Orientation

    KAUST Repository

    Ayzner, Alexander L.

    2015-01-02

    © 2014 American Chemical Society. Much is known about the rate of photoexcited charge generation in at organic donor/acceptor (D/A) heterojunctions overaged over all relative arrangements. However, there has been very little experimental work investigating how the photoexcited electron transfer (ET) rate depends on the precise relative molecular orientation between D and A in thin solid films. This is the question that we address in this work. We find that the ET rate depends strongly on the relative molecular arrangement: The interface where the model donor compound copper phthalocyanine is oriented face-on with respect to the fullerene C60 acceptor yields a rate that is approximately 4 times faster than that of the edge-on oriented interface. Our results suggest that the D/A electronic coupling is significantly enhanced in the face-on case, which agrees well with theoretical predictions, underscoring the importance of controlling the relative interfacial molecular orientation.

  7. Ultrafast Electron Transfer at Organic Semiconductor Interfaces: Importance of Molecular Orientation

    KAUST Repository

    Ayzner, Alexander L.; Nordlund, Dennis; Kim, Do-Hwan; Bao, Zhenan; Toney, Michael F.

    2015-01-01

    © 2014 American Chemical Society. Much is known about the rate of photoexcited charge generation in at organic donor/acceptor (D/A) heterojunctions overaged over all relative arrangements. However, there has been very little experimental work investigating how the photoexcited electron transfer (ET) rate depends on the precise relative molecular orientation between D and A in thin solid films. This is the question that we address in this work. We find that the ET rate depends strongly on the relative molecular arrangement: The interface where the model donor compound copper phthalocyanine is oriented face-on with respect to the fullerene C60 acceptor yields a rate that is approximately 4 times faster than that of the edge-on oriented interface. Our results suggest that the D/A electronic coupling is significantly enhanced in the face-on case, which agrees well with theoretical predictions, underscoring the importance of controlling the relative interfacial molecular orientation.

  8. Energy Efficient Removal of Volatile Organic Compounds (VOCs) and Organic Hazardous Air Pollutants (o-HAPs) from Industrial Waste Streams by Direct Electron Oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Testoni, A. L.

    2011-10-19

    This research program investigated and quantified the capability of direct electron beam destruction of volatile organic compounds and organic hazardous air pollutants in model industrial waste streams and calculated the energy savings that would be realized by the widespread adoption of the technology over traditional pollution control methods. Specifically, this research determined the quantity of electron beam dose required to remove 19 of the most important non-halogenated air pollutants from waste streams and constructed a technical and economic model for the implementation of the technology in key industries including petroleum refining, organic & solvent chemical production, food & beverage production, and forest & paper products manufacturing. Energy savings of 75 - 90% and green house gas reductions of 66 - 95% were calculated for the target market segments.

  9. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

    OpenAIRE

    Luis R. Domingo

    2016-01-01

    A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through ...

  10. Printed Organic and Inorganic Electronics: Devices To Systems

    KAUST Repository

    Sevilla, Galo T.; Hussain, Muhammad Mustafa

    2016-01-01

    Affordable and versatile printed electronics can play a critical role for large area applications, such as for displays, sensors, energy harvesting, and storage. Significant advances including commercialization in the general area of printed

  11. Polymeric and Molecular Materials for Advanced Organic Electronics

    Science.gov (United States)

    2014-10-20

    we were able to substantially lower the HOMOs while preserving excellent TFT hole transport, and investigated their use in bulk- hetero - junction ...metal oxide semiconductors, which are prepared by a low-temperature “combustion synthesis” route invented at NU under AFOSR support and published...98) v Prescribed by ANSI Std. Z39.18 Introduction. CMOS, p/n- Junction Devices, and Flexible Electronics Flexible/printed electronics is a

  12. Safety Cultural Competency Modeling in Nuclear Organizations

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sa Kil; Oh, Yeon Ju; Luo, Meiling; Lee, Yong Hee [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-05-15

    The nuclear safety cultural competency model should be supplemented through a bottom-up approach such as behavioral event interview. The developed model, however, is meaningful for determining what should be dealt for enhancing safety cultural competency of nuclear organizations. The more details of the developing process, results, and applications will be introduced later. Organizational culture include safety culture in terms of its organizational characteristics.

  13. Multidisciplinary Modelling Tools for Power Electronic Circuits

    DEFF Research Database (Denmark)

    Bahman, Amir Sajjad

    in reliability assessment of power modules, a three-dimensional lumped thermal network is proposed to be used for fast, accurate and detailed temperature estimation of power module in dynamic operation and different boundary conditions. Since an important issue in the reliability of power electronics...... environment to be used for optimization of cooling system layout with respect to thermal resistance and pressure drop reductions. Finally extraction of electrical parasitics in the multi-chip power modules will be investigated. As the switching frequency of power devices increases, the size of passive...... components are reduced considerably that leads to increase of power density and cost reduction. However, electrical parasitics become more challenging with increasing the switching frequency and paralleled chips in the integrated and denser packages. Therefore, electrical parasitic models are analyzed based...

  14. A STRATEGIC MANAGEMENT MODEL FOR SERVICE ORGANIZATIONS

    OpenAIRE

    Andreea ZAMFIR

    2013-01-01

    This paper provides a knowledge-based strategic management of services model, with a view to emphasise an approach to gaining competitive advantage through knowledge, people and networking. The long-term evolution of the service organization is associated with the way in which the strategic management is practised.

  15. Expanding on Successful Concepts, Models, and Organization

    Science.gov (United States)

    If the goal of the AEP framework was to replace existing exposure models or databases for organizing exposure data with a concept, we would share Dr. von Göetz concerns. Instead, the outcome we promote is broader use of an organizational framework for exposure science. The f...

  16. Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

    Science.gov (United States)

    Amerikheirabadi, Fatemeh

    Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

  17. Organization of organelles within hyphae of Ashbya gossypii revealed by electron tomography.

    Science.gov (United States)

    Gibeaux, Romain; Hoepfner, Dominic; Schlatter, Ivan; Antony, Claude; Philippsen, Peter

    2013-11-01

    Ashbya gossypii grows as multinucleated and constantly elongating hyphae. Nuclei are in continuous forward and backward motion, also move during mitosis, and frequently bypass each other. Whereas these nuclear movements are well documented, comparatively little is known about the density and morphology of organelles which very likely influence these movements. To understand the three-dimensional subcellular organization of hyphae at high resolution, we performed large-scale electron tomography of the tip regions in A. gossypii. Here, we present a comprehensive space-filling model in which most membrane-limited organelles including nuclei, mitochondria, endosomes, multivesicular bodies, vacuoles, autophagosomes, peroxisomes, and vesicles are modeled. Nuclei revealed different morphologies and protrusions filled by the nucleolus. Mitochondria are very abundant and form a tubular network with a polarized spherical fraction. The organelles of the degradative pathways show a clustered organization. By analyzing vesicle-like bodies, we identified three size classes of electron-dense vesicles (∼200, ∼150, and ∼100 nm) homogeneously distributed in the cytoplasm which most likely represent peroxisomes. Finally, coated and uncoated vesicles with approximately 40-nm diameters show a polarized distribution toward the hyphal tip with the coated vesicles preferentially localizing at the hyphal periphery.

  18. A Requirement Engineering Framework for Electronic Data Sharing of Health Care Data Between Organizations

    Science.gov (United States)

    Liu, Xia; Peyton, Liam; Kuziemsky, Craig

    Health care is increasingly provided to citizens by a network of collaboration that includes multiple providers and locations. Typically, that collaboration is on an ad-hoc basis via phone calls, faxes, and paper based documentation. Internet and wireless technologies provide an opportunity to improve this situation via electronic data sharing. These new technologies make possible new ways of working and collaboration but it can be difficult for health care organizations to understand how to use the new technologies while still ensuring that their policies and objectives are being met. It is also important to have a systematic approach to validate that e-health processes deliver the performance improvements that are expected. Using a case study of a palliative care patient receiving home care from a team of collaborating health organizations, we introduce a framework based on requirements engineering. Key concerns and objectives are identified and modeled (privacy, security, quality of care, and timeliness of service). And, then, proposed business processes which use new technologies are modeled in terms of these concerns and objectives to assess their impact and ensure that electronic data sharing is well regulated.

  19. 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.

  20. Investigation of organic light-emitting diodes with novel organic electron injection layers

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sunae; Sethuraman, Kunjithapatham; An, Jongdeok; Im, Chan [Konkuk University, Seoul (Korea, Republic of); Hwang, Boseon [Jinwoong Industrial Co. Ltd., Seoul (Korea, Republic of)

    2012-03-15

    1-(diphenyl-phosphinoyl)-4-(2,2-diphenyl-vinyl)-benzene (DpDvB) and 4-(diphenyl-phosphinoyl)-4'-(2,2-diphenyl-vinyl)-biphenyl (DpDvBp) have been prepared and used as efficient electron injection layers (EILs) between aluminum cathode and tris (8-hydroxyquinoline) aluminum organic light emitting diodes (OLED). The performances of devices with different thicknesses of DpDvB and DpDvBp were investigated. Experimental results show that the turn-on voltage of the devices was decreased and the luminance of the devices was enhanced with increasing thickness of the EILs. Power efficiencies of 1.07 lm/W and 0.97 lm/W were obtained by inserting a 3-nm-thick EIL of DpDvB and a 5 nm thick EIL of DpDvBp, respectively. These efficiencies are comparable to that of the device using LiF as an EIL. The results prove that DpDvB and DpDvBp layers are also suitable for efficient EILs in OLEDs.

  1. Emergent organization in a model market

    Science.gov (United States)

    Yadav, Avinash Chand; Manchanda, Kaustubh; Ramaswamy, Ramakrishna

    2017-09-01

    We study the collective behaviour of interacting agents in a simple model of market economics that was originally introduced by Nørrelykke and Bak. A general theoretical framework for interacting traders on an arbitrary network is presented, with the interaction consisting of buying (namely consumption) and selling (namely production) of commodities. Extremal dynamics is introduced by having the agent with least profit in the market readjust prices, causing the market to self-organize. In addition to examining this model market on regular lattices in two-dimensions, we also study the cases of random complex networks both with and without community structures. Fluctuations in an activity signal exhibit properties that are characteristic of avalanches observed in models of self-organized criticality, and these can be described by power-law distributions when the system is in the critical state.

  2. Organic small molecule semiconducting chromophores for use in organic electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Welch, Gregory C.; Hoven, Corey V.; Nguyen, Thuc-Quyen

    2018-02-13

    Small organic molecule semi-conducting chromophores containing a pyridalthiadiazole, pyridaloxadiazole, or pyridaltriazole core structure are disclosed. Such compounds can be used in organic heterojunction devices, such as organic small molecule solar cells and transistors.

  3. A Model for Teaching Electronic Commerce Students

    Directory of Open Access Journals (Sweden)

    Howard C. Woodard

    2002-10-01

    Full Text Available The teaching of information technology in an ever-changing world at universities presents a challenge. Are courses taught as concepts, while ignoring hands-on courses, leaving the hands-on classes to the technical colleges or trade schools? Does this produce the best employees for industry or give students the knowledge and skills necessary to function in a high-tech world? At GeorgiaCollege & StateUniversity (GC&SU a model was developed that combines both concepts and practical hands-on skill to meet this challenge. Using this model, a program was developed that consists of classroom lecture of concepts as well as practical hands-on exercises for mastering the knowledge and developing the skills necessary to succeed in the high-tech world of electronic commerce. The students become productive day one of a new job assignment. This solves the problem of students having the "book knowledge" but not knowing how to apply what has been learned.

  4. HREELS to identify electronic structures of organic thin films.

    Science.gov (United States)

    Oeter, D; Ziegler, C; Göpel, W

    1995-10-01

    The electronic structure of alpha-oligothiophene (alphanT) thin films has been investigated for increasing chain lengths of n= 4-8 thiophene units with high resolution electron energy loss spectroscopy (HREELS) in the specular reflection geometry at a primary energy of 15 eV. The great advantage of this technique in contrast to UV/VIS absorption spectroscopy results from the fact, that the impact scattering mechanism of HREELS makes it possible to also detect optically forbidden electronic transitions. On the other hand, the electrons used as probes in HREELS have a wavelength which is two orders of magnitudes smaller if compared to those of photons used in UV/VIS absorption spectroscopy. Therefore individual molecules are excited by HREELS independent from each other and hence the excitation of collective excitons is not possible. As a result, information about the orientation of the molecules cannot be achieved with HREELS, which, however, is possible in polarization-dependent UV/VIS spectroscopy.

  5. Spontaneously self-organized structures in electron plasma

    International Nuclear Information System (INIS)

    Noga, M.

    1983-01-01

    Properties of phase transitions between disordered and ordered states in a system of interacting electrons are derived from first principles. It is shown that the formation of a static spin density wave state is due to a phase transition of the third kind. (orig.)

  6. Using XML Technologies to Organize Electronic Reference Resources

    OpenAIRE

    Huser, Vojtech; Del Fiol, Guilherme; Rocha, Roberto A.

    2005-01-01

    Provision of access to reference electronic resources to clinicians is becoming increasingly important. We have created a framework for librarians to manage access to these resources at an enterprise level, rather than at the individual hospital libraries. We describe initial project requirements, implementation details, and some preliminary results.

  7. Positron Spur Reactions with Excess Electrons and Anions in Liquid Organic Mixtures of Electron Acceptors

    DEFF Research Database (Denmark)

    Lévay, B.; Mogensen, O. E.

    1980-01-01

    By means of the positron lifetime technique we have measured positronium (Ps) yields in mixtures of nonpolar liquids with various electron scavengers which bind the electron fairly weakly (1–2 eV) in stable anions. The results are discussed with reference to recent excess electron works, and new...... experiments on anions and excess electrons are proposed. The minimum of the Ps yield versus CS2 concentration curves caused by partly delocalization of electrons on several scavenger molecules, which was observed previously in saturated aliphatic hydrocarbons occurred also in the saturated cyclic hydrocarbon...... cyclohexane, but did not appear in the aromatic benzene. This might be explained by the weak electron acceptor property of aromatics. In the Ps yield versus SF6 concentration curve in hexane a similar minimum appeared as in the CS2 case, probably by the same reason. By adding 0.8 M CS2 to the system...

  8. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

    Lindblom, Erik Ulfson; Gernaey, K.V.; Henze, Mogens

    2006-01-01

    This paper presents a dynamic mathematical model that describes the fate and transport of two selected xenobiotic organic compounds (XOCs) in a simplified representation. of an integrated urban wastewater system. A simulation study, where the xenobiotics bisphenol A and pyrene are used as reference...... compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....

  9. Model of electron capture in low-temperature glasses

    International Nuclear Information System (INIS)

    Bartczak, W.M.; Swiatla, D.; Kroh, J.

    1983-01-01

    The new model of electron capture by a statistical variety of traps in glassy matrices is proposed. The electron capture is interpreted as the radiationless transition (assisted by multiphonon emission) of the mobile electron to the localized state in the trap. The conception of 'unfair' and 'fair' traps is introduced. The 'unfair' trap captures the mobile electron by the shallow excited state. In contrast, the 'fair' trap captures the electron by the ground state. The model calculations of the statistical distributions of the occupied electron traps are presented and discussed with respect to experimental results. (author)

  10. Crystal step edges can trap electrons on the surfaces of n-type organic semiconductors.

    Science.gov (United States)

    He, Tao; Wu, Yanfei; D'Avino, Gabriele; Schmidt, Elliot; Stolte, Matthias; Cornil, Jérôme; Beljonne, David; Ruden, P Paul; Würthner, Frank; Frisbie, C Daniel

    2018-05-30

    Understanding relationships between microstructure and electrical transport is an important goal for the materials science of organic semiconductors. Combining high-resolution surface potential mapping by scanning Kelvin probe microscopy (SKPM) with systematic field effect transport measurements, we show that step edges can trap electrons on the surfaces of single crystal organic semiconductors. n-type organic semiconductor crystals exhibiting positive step edge surface potentials display threshold voltages that increase and carrier mobilities that decrease with increasing step density, characteristic of trapping, whereas crystals that do not have positive step edge surface potentials do not have strongly step density dependent transport. A device model and microelectrostatics calculations suggest that trapping can be intrinsic to step edges for crystals of molecules with polar substituents. The results provide a unique example of a specific microstructure-charge trapping relationship and highlight the utility of surface potential imaging in combination with transport measurements as a productive strategy for uncovering microscopic structure-property relationships in organic semiconductors.

  11. Reconfigurable electronics using conducting metal-organic frameworks

    Science.gov (United States)

    Allendorf, Mark D.; Talin, Albert Alec; Leonard, Francois; Stavila, Vitalie

    2017-07-18

    A device including a porous metal organic framework (MOF) disposed between two terminals, the device including a first state wherein the MOF is infiltrated by a guest species to form an electrical path between the terminals and a second state wherein the electrical conductivity of the MOF is less than the electrical conductivity in the first state. A method including switching a porous metal organic framework (MOF) between two terminals from a first state wherein a metal site in the MOF is infiltrated by a guest species that is capable of charge transfer to a second state wherein the MOF is less electrically conductive than in the first state.

  12. Organic electronic memory based on a ferroelectric polymer

    Energy Technology Data Exchange (ETDEWEB)

    Kalbitz, R; Fruebing, P; Gerhard, R [Department of Physics and Astronomy, University of Potsdam, Karl-Liebknecht Str., 24-25, 14476 Potsdam (Germany); Taylor, D M, E-mail: d.m.taylor@bangor.ac.uk [School of Electronic Engineering, Bangor University, Dean Street, Bangor, Gwynedd LL57 1UT (United Kingdom)

    2011-06-23

    Measurements of the capacitance of metal-insulator-semiconductor capacitors and the output characteristics of thin film transistors based on poly(3-hexylthiophene) as the active semiconductor and poly(vinylidenefluoride-trifluoroethylene) as the gate insulator show that ferroelectric polarisation in the insulator is stable but that its effect when poled by depletion voltages is partially neutralised by trapping of electrons at or near the semiconductor interface. Nevertheless, the combination of materials is capable of providing an adequate memory function.

  13. Research on lightning stroke model and characteristics of electronic transformer

    Directory of Open Access Journals (Sweden)

    Li Mu

    2018-01-01

    Full Text Available In order to improve the reliability of power supply, a large number of electronic voltage and current transformers are used in digital substations. In this paper, the mathematical model of the electronic transformer is analyzed firstly, and its circuit model is given. According to the difference of working characteristics between voltage transformer and current transformer, the circuit model of voltage type electronic transformer and current type electronic transformer is given respectively. By analyzing their broadband transmission characteristics, the accuracy of the model is verified, and their lightning analysis models are obtained.

  14. Molecular orientation and electronic structure at organic heterojunction interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Shu [Department of Chemistry, National University of Singapore, 3 Science Drive 3, 117543 Singapore (Singapore); Zhong, Jian Qiang; Wee, Andrew T.S. [Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Chen, Wei, E-mail: phycw@nus.edu.sg [Department of Chemistry, National University of Singapore, 3 Science Drive 3, 117543 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); National University of Singapore (Suzhou) Research Institute, Suzhou (China)

    2015-10-01

    Highlights: • Molecular orientation at the organic heterojunction interfaces. • Energy level alignments at the organic heterojunction interfaces. • Gap-states mediated interfacial energy level alignment. - Abstract: Due to the highly anisotropic nature of π-conjugated molecules, the molecular orientation in organic thin films can significantly affect light absorption, charge transport, energy level alignment (ELA) and hence device performance. Synchrotron-based near-edge X-ray absorption fine structure (NEXAFS) spectroscopy represents a powerful technique for probing molecular orientation. The aim of this review paper is to provide a balanced assessment on the investigation of molecular orientation at the organic–organic heterojunction (OOH) interface by NEXAFS, as well as the gap-states mediated orientation dependent energy level alignment at OOH interfaces. We highlight recent progress in elucidating molecular orientation at OOH interfaces dominated by various interfacial interactions, gap-states controlled orientation dependent energy level alignments at OOH interfaces, and the manipulations of molecular orientation and ELA in OOH.

  15. Organic electronics on fibers for energy conversion applications

    Science.gov (United States)

    O'Connor, Brendan T.

    Currently, there is great demand for pollution-free and renewable sources of electricity. Solar cells are particularly attractive from the standpoint of sunlight abundance. However, truly widespread adoption of solar cells is impeded by the high cost and poor scalability of existing technologies. For example, while 53,000 mi2 of 10% efficient solar cell modules would be required to supply the current U.S. energy demand, only about 50 mi2 have been installed worldwide. Organic semiconductors potentially offer a route to realizing low-cost solar cell modules, but currently suffer from low conversion efficiency. For organic-based solar cells to become commercially viable, further research is required to improve device performance, develop scalable manufacturing methods, and reduce installation costs via, for example, novel device form factors. This thesis makes several contributions to the field of organic solar cells, including the replacement of costly and brittle indium tin oxide (ITO) electrodes by inexpensive and malleable, thin metal films, and the application of external dielectric coatings to improve power conversion efficiency. Furthermore, we show that devices with non-planar geometries (e.g. organic solar cells deposited onto long fibers) can have higher efficiencies than conventional planar devices. Building on these results, we demonstrate novel fiber-based organic light emitting devices (OLEDs) that offer substantially improved color quality and manufacturability as a next-generation solid-state lighting technology. An intriguing possibility afforded by the fiber-based device architectures is the ability to integrate energy conversion and lighting functionalities with textiles, a mature, commodity-scale technology.

  16. Electron Model of Linear-Field FFAG

    CERN Document Server

    Koscielniak, Shane R

    2005-01-01

    A fixed-field alternating-gradient accelerator (FFAG) that employs only linear-field elements ushers in a new regime in accelerator design and dynamics. The linear-field machine has the ability to compact an unprecedented range in momenta within a small component aperture. With a tune variation which results from the natural chromaticity, the beam crosses many strong, uncorrec-table, betatron resonances during acceleration. Further, relativistic particles in this machine exhibit a quasi-parabolic time-of-flight that cannot be addressed with a fixed-frequency rf system. This leads to a new concept of bucketless acceleration within a rotation manifold. With a large energy jump per cell, there is possibly strong synchro-betatron coupling. A few-MeV electron model has been proposed to demonstrate the feasibility of these untested acceleration features and to investigate them at length under a wide range of operating conditions. This paper presents a lattice optimized for a 1.3 GHz rf, initial technology choices f...

  17. X-ray and neutron scattering study of organic-organic heterolayers for organic electronics and biointerfaces

    International Nuclear Information System (INIS)

    Huth, Martin

    2010-01-01

    The presented work deals with fundamental research to develop an all-organic sensor device capable of detecting changes of the electrical potential, e.g. neural activity, in a biologically relevant environment. In this approach the active area of the sensor is built from organic materials only. The effective interface between the sensor and the cells is an artificial cell membrane decorated with a synthetic binding unit, which has been constructed adopting the methods found in nature. The sensor itself is an organic thin film transistor (OTFT), obtaining its sensitivity from the properties of the organic semiconductor and from having an active layer with a thickness of only 50 nm. The fabricated multilayer systems were characterized with X-ray and neutron diffraction using giant equipment (synchrotron, reactor). A major focus of the presented thesis lies on discovering and manipulating the structure of the involved materials on the molecular scale. At first, an overview on aggregation mechanism and molecular interaction with surfaces depending on the shape of the molecules is given. The experimental part deals with the growth of the organic semiconductor, pentacene (C 22 H 14 ) on various surfaces. By chemically modifying diamond surfaces, controlled pentacene film growth in a standing or lying configuration was achieved. Furthermore, the encapsulation with an alkane, tetratetracontane (TTC, C 44 H 90 ), which has been achieved using vacuum deposition. Applying the correct process parameters, the electronically best suited ''thin film phase'' of pentacene could be conserved. Coating of the pentacene film with a TTC layer was possible in a way that a transducer device showed stable operation in ionic aqueous environment, which is the essential step towards sensor technology. On the other hand we succeeded in constructing a versatile functional coating, providing a surface which cells accept as their ''natural'' environment. On the basis of a supported lipid bilayer

  18. X-ray and neutron scattering study of organic-organic heterolayers for organic electronics and biointerfaces

    Energy Technology Data Exchange (ETDEWEB)

    Huth, Martin

    2010-12-23

    The presented work deals with fundamental research to develop an all-organic sensor device capable of detecting changes of the electrical potential, e.g. neural activity, in a biologically relevant environment. In this approach the active area of the sensor is built from organic materials only. The effective interface between the sensor and the cells is an artificial cell membrane decorated with a synthetic binding unit, which has been constructed adopting the methods found in nature. The sensor itself is an organic thin film transistor (OTFT), obtaining its sensitivity from the properties of the organic semiconductor and from having an active layer with a thickness of only 50 nm. The fabricated multilayer systems were characterized with X-ray and neutron diffraction using giant equipment (synchrotron, reactor). A major focus of the presented thesis lies on discovering and manipulating the structure of the involved materials on the molecular scale. At first, an overview on aggregation mechanism and molecular interaction with surfaces depending on the shape of the molecules is given. The experimental part deals with the growth of the organic semiconductor, pentacene (C{sub 22}H{sub 14}) on various surfaces. By chemically modifying diamond surfaces, controlled pentacene film growth in a standing or lying configuration was achieved. Furthermore, the encapsulation with an alkane, tetratetracontane (TTC, C{sub 44}H{sub 90}), which has been achieved using vacuum deposition. Applying the correct process parameters, the electronically best suited ''thin film phase'' of pentacene could be conserved. Coating of the pentacene film with a TTC layer was possible in a way that a transducer device showed stable operation in ionic aqueous environment, which is the essential step towards sensor technology. On the other hand we succeeded in constructing a versatile functional coating, providing a surface which cells accept as their &apos

  19. X-ray and neutron scattering study of organic-organic heterolayers for organic electronics and biointerfaces

    Energy Technology Data Exchange (ETDEWEB)

    Huth, Martin

    2010-12-23

    The presented work deals with fundamental research to develop an all-organic sensor device capable of detecting changes of the electrical potential, e.g. neural activity, in a biologically relevant environment. In this approach the active area of the sensor is built from organic materials only. The effective interface between the sensor and the cells is an artificial cell membrane decorated with a synthetic binding unit, which has been constructed adopting the methods found in nature. The sensor itself is an organic thin film transistor (OTFT), obtaining its sensitivity from the properties of the organic semiconductor and from having an active layer with a thickness of only 50 nm. The fabricated multilayer systems were characterized with X-ray and neutron diffraction using giant equipment (synchrotron, reactor). A major focus of the presented thesis lies on discovering and manipulating the structure of the involved materials on the molecular scale. At first, an overview on aggregation mechanism and molecular interaction with surfaces depending on the shape of the molecules is given. The experimental part deals with the growth of the organic semiconductor, pentacene (C{sub 22}H{sub 14}) on various surfaces. By chemically modifying diamond surfaces, controlled pentacene film growth in a standing or lying configuration was achieved. Furthermore, the encapsulation with an alkane, tetratetracontane (TTC, C{sub 44}H{sub 90}), which has been achieved using vacuum deposition. Applying the correct process parameters, the electronically best suited ''thin film phase'' of pentacene could be conserved. Coating of the pentacene film with a TTC layer was possible in a way that a transducer device showed stable operation in ionic aqueous environment, which is the essential step towards sensor technology. On the other hand we succeeded in constructing a versatile functional coating, providing a surface which cells accept as their ''natural'' environment. On the basis of a

  20. Development of Micron-Resolved Electron Spectroscopy to Study Organic Thin Films in Real Devices

    International Nuclear Information System (INIS)

    Wang, C.-H.; Fan, L.-J.; Yang, Y.-W.; Su, J.-W.; Chan, S.-W.; Chen, M.-C.

    2010-01-01

    A straightforward application of an electron energy analyzer equipped with an image detector to micron-resolved electron spectroscopic studies of organic thin film devices is reported. The electron spectroscopies implemented include synchrotron-based UPS, XPS, and Auger yield NEXAFS. Along the non-energy-dispersion direction of the analyzer, a spatial resolution of ∼40 μm is obtained through the employment of entrance slits, electrostatic lenses and segmented CCD detector. One significant benefit offered by the technique is that the electronic transport and electronic structure of the same micron-sized sample can be directly examined. The example illustrated is a top-contact organic field effect transistor (OFET) fabricated from semiconducting triethylsilylethynyl anthradithiophene and gold electrodes. It is found that an extensive out-diffusion of gold atoms to adjacent conduction channels takes place, presumably due to the inability of soft organic materials in dissipating the excess energy with which gaseous Au atoms possess.

  1. Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes

    KAUST Repository

    Sutton, Christopher

    2015-10-30

    Noncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic chemistry, determine not only the molecular packing but also the resulting electronic, optical, and mechanical properties of materials derived from π-conjugated molecules, oligomers, and polymers. Here, we provide an overview of the theoretical underpinnings of noncovalent intermolecular interactions and briefly discuss the computational chemistry approaches used to understand the magnitude of these interactions. These methodologies are then exploited to illustrate how noncovalent intermolecular interactions impact important electronic properties-such as the electronic coupling between adjacent molecules, a key parameter for charge-carrier transport-through a comparison between the prototype organic semiconductor pentacene with a series of N-substituted heteropentacenes. Incorporating an understanding of these interactions into the design of organic semiconductors can assist in developing novel materials systems from this fascinating molecular class. © 2015 American Chemical Society.

  2. The organization of information in electronic patient record under the perspective of usability recommendations: proposition of organization of information.

    Directory of Open Access Journals (Sweden)

    Tatiana Tissa Kawakami

    2017-10-01

    Full Text Available Introduction: Among the various areas of studies, health information is highlighted in this study. More specifically, the patient's electronic medical records and issues related to it’s informational organization and usability. Objectives: suggest Usability recommendations applicable to the Electronic Patient Record. More specifically, identify, according to the specialized literature, recommendations of Usability, as well as to develop a checklist with recommendations of Usability for the Electronic Patient Record. Methodology: the study’s basic purpose is the theoretical nature. The deductive method of documental delimitation was chosen. Results: elaboration of checklist with recommendations of Usability for Electronic Patient Records. Conclusion: Usability recommendations can be used to improve electronic patient records. However, it should be noted that knowledge in the scope of Information Science should be considered and summed up, since a great deal of content related to Usability refers to operational and visual aspects of the interface, not clearly or directly contemplating the issues related to information.

  3. Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

    KAUST Repository

    Chen, Chen; Joshi, Trinity; Li, Huifang; Chavez, Anton D.; Pedramrazi, Zahra; Liu, Pei-Nian; Li, Hong; Dichtel, William R.; Bredas, Jean-Luc; Crommie, Michael F.

    2017-01-01

    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

  4. Polymeric and Molecular Materials for Advanced Organic Electronics

    Science.gov (United States)

    2011-07-25

    C8H17) films on SiO2 exhibit electron mobilities in air > 0.2 cm 2 /Vs. Electrochemistry reveals reduction potentials ~ 0.0 V vs. S.C.E.; hence...enable low-voltage single-walled carbon nanotube and ZnO nanowire transistors, and can be integrated with GaAs JFETs (Fig. 9). Because of the very...large mobilities achieved in such devices (e ~ 3000 cm 2 V -1 s -1 for ZnO Figure 9. Top. Schematic representation of the TFT components of an

  5. The role of electron correlations in organic conductors

    International Nuclear Information System (INIS)

    Friedel, J.

    2000-01-01

    This is a parochial talk, based on my memory of events over a number of years. Thus I still remember the rather excited tone of Denis Jerome, telling me on the telephone twenty years ago that he had at last observed superconductivity in his organic compound. This was only at 1 K and under pressure; but the field soon developed into a new country which Orsay helped to conquer. This is what we are celebrating today. (orig.)

  6. Analytic model of electron pulse propagation in ultrafast electron diffraction experiments

    International Nuclear Information System (INIS)

    Michalik, A.M.; Sipe, J.E.

    2006-01-01

    We present a mean-field analytic model to study the propagation of electron pulses used in ultrafast electron diffraction experiments (UED). We assume a Gaussian form to characterize the electron pulse, and derive a system of ordinary differential equations that are solved quickly and easily to give the pulse dynamics. We compare our model to an N-body numerical simulation and are able to show excellent agreement between the two result sets. This model is a convenient alternative to time consuming and computationally intense N-body simulations in exploring the dynamics of UED electron pulses, and as a tool for refining UED experimental designs

  7. The electronic-commerce-oriented virtual merchandise model

    Science.gov (United States)

    Fang, Xiaocui; Lu, Dongming

    2004-03-01

    Electronic commerce has been the trend of commerce activities. Providing with Virtual Reality interface, electronic commerce has better expressing capacity and interaction means. But most of the applications of virtual reality technology in EC, 3D model is only the appearance description of merchandises. There is almost no information concerned with commerce information and interaction information. This resulted in disjunction of virtual model and commerce information. So we present Electronic Commerce oriented Virtual Merchandise Model (ECVMM), which combined a model with commerce information, interaction information and figure information of virtual merchandise. ECVMM with abundant information provides better support to information obtainment and communication in electronic commerce.

  8. Lessons on electronic decoherence in molecules from exact modeling

    Science.gov (United States)

    Hu, Wenxiang; Gu, Bing; Franco, Ignacio

    2018-04-01

    Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the electronic decoherence dynamics of a model many-body molecular system described by the Su-Schrieffer-Heeger Hamiltonian with Hubbard electron-electron interactions using an exact method in which both electronic and nuclear degrees of freedom are taken into account explicitly and fully quantum mechanically. To represent the electron-nuclear Hamiltonian in matrix form and propagate the dynamics, the computations employ the Jordan-Wigner transformation for the fermionic creation/annihilation operators and the discrete variable representation for the nuclear operators. The simulations offer a standard for electronic decoherence that can be used to test approximations. They also provide a useful platform to answer fundamental questions about electronic decoherence that cannot be addressed through approximate or implicit schemes. Specifically, through simulations, we isolate basic mechanisms for electronic coherence loss and demonstrate that electronic decoherence is possible even for one-dimensional nuclear bath. Furthermore, we show that (i) decreasing the mass of the bath generally leads to faster electronic decoherence; (ii) electron-electron interactions strongly affect the electronic decoherence when the electron-nuclear dynamics is not pure-dephasing; (iii) classical bath models with initial conditions sampled from the Wigner distribution accurately capture the short-time electronic decoherence dynamics; (iv) model separable initial superpositions often used to understand decoherence after photoexcitation are only relevant in experiments that employ delta-like laser pulses to initiate the dynamics. These insights can be employed to interpret and properly model coherence phenomena in molecules.

  9. RAMAN LIGHT SCATTERING IN PSEUDOSPIN-ELECTRON MODEL AT STRONG PSEUDOSPIN-ELECTRON INTERACTION

    Directory of Open Access Journals (Sweden)

    T.S.Mysakovych

    2004-01-01

    Full Text Available Anharmonic phonon contributions to Raman scattering in locally anharmonic crystal systems in the framework of the pseudospin-electron model with tunneling splitting of levels are investigated. The case of strong pseudospin-electron coupling is considered. Pseudospin and electron contributions to scattering are taken into account. Frequency dependences of Raman scattering intensity for different values of model parameters and for different polarization of scattering and incident light are investigated.

  10. Modelling the behaviour of organic degradation products

    International Nuclear Information System (INIS)

    Cross, J.E.; Ewart, F.T.; Greenfield, B.F.

    1989-03-01

    Results are presented from recent studies at Harwell which show that the degradation products which are formed when certain organic waste materials are exposed to the alkaline conditions typical of a cementitious environment, can enhance the solubility of plutonium, even at pH values as high as 12, by significant factors. Characterisation of the degradation products has been undertaken but the solubility enhancement does not appear to be related to the concentration of any of the major organic species that have been identified in the solutions. While it has not been possible to identify by analysis the organic ligand responsible for the increased solubility of plutonium, the behaviour of D-Saccharic acid does approach the behaviour of the degradation products. The PHREEQE code has been used to simulate the solubility of plutonium in the presence of D-Saccharic acid and other model degradation products, in order to explain the solubility enhancement. The extrapolation of the experimental conditions to the repository is the major objective, but in this work the ability of a model to predict the behaviour of plutonium over a range of experimental conditions has been tested. (author)

  11. Organic thin-film electronics from vitreous solution-processed rubrene hypereutectics

    NARCIS (Netherlands)

    Stingelin-Stutzmann, N; Smits, E; Wondergem, H; Tanase, C; Blom, P; Smith, P; De Leeuw, D

    Electronic devices based on single crystals of organic semiconductors provide powerful means for studying intrinsic charge-transport phenomena and their fundamental electronic limits(1-4). However, for technological exploitation, it is imperative not to be confined to the tedious growth and

  12. Applications of organic and printed electronics : a technology-enabled revolution

    NARCIS (Netherlands)

    Cantatore, E.

    2013-01-01

    Organic and printed electronics can enable a revolution in the applications of electronics and this book offers readers an overview of the state-of-the-art in this rapidly evolving domain. The potentially low cost, compatibility with flexible substrates and the wealth of devices that characterize

  13. PRODUCTION OF HYDRATED ELECTRONS FROM PHOTOIONIZATION OF DISSOLVED ORGANIC MATTER IN NATURAL WATERS

    Science.gov (United States)

    Under UV irradiation, an important primary photochemical reaction of colored dissolved organic matter (CDOM) is electron ejection, producing hydrated electrons (e-aq). The efficiency of this process has been studied in both fresh and seawater samples with both steady-state scave...

  14. Metal-Organic Frameworks as Active Materials in Electronic Sensor Devices.

    Science.gov (United States)

    Campbell, Michael G; Dincă, Mircea

    2017-05-12

    In the past decade, advances in electrically conductive metal-organic frameworks (MOFs) and MOF-based electronic devices have created new opportunities for the development of next-generation sensors. Here we review this rapidly-growing field, with a focus on the different types of device configurations that have allowed for the use of MOFs as active components of electronic sensor devices.

  15. Highly efficient exciplex organic light-emitting diodes incorporating a heptazine derivative as an electron acceptor.

    Science.gov (United States)

    Li, Jie; Nomura, Hiroko; Miyazaki, Hiroshi; Adachi, Chihaya

    2014-06-11

    Highly efficient exciplex systems incorporating a heptazine derivative () as an electron acceptor and 1,3-di(9H-carbazol-9-yl)benzene () as an electron donor are developed. An organic light-emitting diode containing 8 wt% : as an emitting layer exhibits a maximum external quantum efficiency of 11.3%.

  16. Monoenergetic electron parameters in a spheroid bubble model

    Science.gov (United States)

    Sattarian, H.; Sh., Rahmatallahpur; Tohidi, T.

    2013-02-01

    A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal models and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. The maximum energy of electrons is calculated and it is shown that the maximum energy of the spheroid model is less than that of the spherical model. The electron energy spectrum is also calculated and it is found that the energy distribution ratio of electrons ΔE/E for the spheroid model under the conditions reported here is half that of the spherical model and it is in good agreement with the experimental value in the same conditions. As a result, the quasi-mono-energetic electron output beam interacting with the laser plasma can be more appropriately described with this model.

  17. Monoenergetic electron parameters in a spheroid bubble model

    International Nuclear Information System (INIS)

    Sattarian, H.; Rahmatallahpur, Sh.; Tohidi, T.

    2013-01-01

    A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal models and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. The maximum energy of electrons is calculated and it is shown that the maximum energy of the spheroid model is less than that of the spherical model. The electron energy spectrum is also calculated and it is found that the energy distribution ratio of electrons ΔE/E for the spheroid model under the conditions reported here is half that of the spherical model and it is in good agreement with the experimental value in the same conditions. As a result, the quasi-mono-energetic electron output beam interacting with the laser plasma can be more appropriately described with this model. (physics of gases, plasmas, and electric discharges)

  18. Subcellular localisation of radionuclides by transmission electronic microscopy in aquatic and terrestrial organisms

    Energy Technology Data Exchange (ETDEWEB)

    Floriani, M.; Grasset, G.; Simon, O.; Morlon, H.; Laroche, L. [CEA Cadarache (DEI/SECRE/LRE), Laboratory of Radioecology and Ecotoxicology, Institute for Radioprotection and Nuclear Safety, 13 - Saint-Paul-lez-Durance (France)

    2004-07-01

    The global framework of this study is to go further in the understanding of the involved mechanisms of uranium and selenium internalisation at the subcellular level and of their toxicity towards several aquatic and terrestrial organisms. In this context, the applications and performances of a Scanning Transmission Electron Microscope (TEM/STEM) equipped with CCD camera and Energy-Dispersive- X-Ray (EDAX) analysis are reported. The principal merit of this equipment is the clear expression of element distribution with nanometer resolution. The sample for TEM analysis were prepared in ultrathin sections of 70-140 nm (thickness) and those for EDAX in sections of 200-500 nm. This method offers the possibility of a direct correlation between histological image and distribution map of trace elements. For each sample, following TEM analysis, EDAX spectra or EDAX mapping were also recorded to confirm the identity of the electron dense material in the scanned sections. Demonstration of the usefulness of this method to understand the bioaccumulation mechanisms and to study the effect of the pollutant uptake at the subcellular level was performed for target organs of a metal (U) and a metalloid (Se) in various biological models: a higher rooted plant (Phaseolus vulgaris)) and a freshwater invertebrate (Orconectes Limosus) and a unicellular green alga (Chlamydomonas reinhardtii)). TEM-EDAX analysis revealed the presence of U-deposits in gills and digestive gland in crayfish, and in vacuoles or in the cytoplasm of different rooted cells bean. In the alga, the accumulation of Se was found in electron-dense granules within cytoplasm associated with ultrastructural changes and starch accumulation. (author)

  19. Subcellular localisation of radionuclides by transmission electronic microscopy in aquatic and terrestrial organisms

    International Nuclear Information System (INIS)

    Floriani, M.; Grasset, G.; Simon, O.; Morlon, H.; Laroche, L.

    2004-01-01

    The global framework of this study is to go further in the understanding of the involved mechanisms of uranium and selenium internalisation at the subcellular level and of their toxicity towards several aquatic and terrestrial organisms. In this context, the applications and performances of a Scanning Transmission Electron Microscope (TEM/STEM) equipped with CCD camera and Energy-Dispersive- X-Ray (EDAX) analysis are reported. The principal merit of this equipment is the clear expression of element distribution with nanometer resolution. The sample for TEM analysis were prepared in ultrathin sections of 70-140 nm (thickness) and those for EDAX in sections of 200-500 nm. This method offers the possibility of a direct correlation between histological image and distribution map of trace elements. For each sample, following TEM analysis, EDAX spectra or EDAX mapping were also recorded to confirm the identity of the electron dense material in the scanned sections. Demonstration of the usefulness of this method to understand the bioaccumulation mechanisms and to study the effect of the pollutant uptake at the subcellular level was performed for target organs of a metal (U) and a metalloid (Se) in various biological models: a higher rooted plant (Phaseolus vulgaris)) and a freshwater invertebrate (Orconectes Limosus) and a unicellular green alga (Chlamydomonas reinhardtii)). TEM-EDAX analysis revealed the presence of U-deposits in gills and digestive gland in crayfish, and in vacuoles or in the cytoplasm of different rooted cells bean. In the alga, the accumulation of Se was found in electron-dense granules within cytoplasm associated with ultrastructural changes and starch accumulation. (author)

  20. Recent progress on thin-film encapsulation technologies for organic electronic devices

    Science.gov (United States)

    Yu, Duan; Yang, Yong-Qiang; Chen, Zheng; Tao, Ye; Liu, Yun-Fei

    2016-03-01

    Among the advanced electronic devices, flexible organic electronic devices with rapid development are the most promising technologies to customers and industries. Organic thin films accommodate low-cost fabrication and can exploit diverse molecules in inexpensive plastic light emitting diodes, plastic solar cells, and even plastic lasers. These properties may ultimately enable organic materials for practical applications in industry. However, the stability of organic electronic devices still remains a big challenge, because of the difficulty in fabricating commercial products with flexibility. These organic materials can be protected using substrates and barriers such as glass and metal; however, this results in a rigid device and does not satisfy the applications demanding flexible devices. Plastic substrates and transparent flexible encapsulation barriers are other possible alternatives; however, these offer little protection to oxygen and water, thus rapidly degrading the devices. Thin-film encapsulation (TFE) technology is most effective in preventing water vapor and oxygen permeation into the flexible devices. Because of these (and other) reasons, there has been an intense interest in developing transparent barrier materials with much lower permeabilities, and their market is expected to reach over 550 million by 2025. In this study, the degradation mechanism of organic electronic devices is reviewed. To increase the stability of devices in air, several TFE technologies were applied to provide efficient barrier performance. In this review, the degradation mechanism of organic electronic devices, permeation rate measurement, traditional encapsulation technologies, and TFE technologies are presented.

  1. Organic-inorganic semiconductor devices and 3, 4, 9, 10 perylenetetracarboxylic dianhydride: an early history of organic electronics

    International Nuclear Information System (INIS)

    Forrest, S R

    2003-01-01

    The demonstration, over 20 years ago, of an organic-inorganic heterojunction (OI HJ) device along with investigations of the growth and physical properties of the archetypal crystalline molecular organic semiconductor 3, 4, 9, 10 perylenetetracarboxylic dianhydride are discussed. Possible applications of OI HJ devices are introduced and the dramatic change in conductive properties of these materials when exposed to high-energy ion beams is described. The past and future prospects for hybrid organic-on-inorganic semiconductor structures for use in electronic and photonic applications are also presented

  2. Organic-​organic interfaces and unoccupied electronic states of thin films of perylene and naphthalene derivatives

    DEFF Research Database (Denmark)

    Kamounah, Fadhil S.; Komolov, A.S; Juul Møller, Preben

    2005-01-01

    ,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA, Fig. 1c) film surfaces, respectively, in order to form organic–organic interfaces so that molecules constituting the interfacing layers differ by the substituent group. The surface potential and the density of unoccupied electron states (DOUS) located 5–25 eV above the Fermi...

  3. Integrated organic electronic based optochemical sensors using polarization filters

    International Nuclear Information System (INIS)

    Kraker, Elke; Haase, Anja; Lamprecht, Bernhard; Jakopic, Georg; Konrad, Christian; Koestler, Stefan

    2008-01-01

    A compact, integrated photoluminescence based oxygen and pH sensor, utilizing an organic light emitting device (OLED) as the light source and an organic photodiode (OPD) as the detection unit, is described. The main challenge in such an integrated sensor is the suppression of the excitation light at the detector, which is typically by many orders of magnitude higher in intensity than the emitted fluorescence. In our approach, we refrain from utilizing edge filters which require narrow band excitation sources and dyes with an adequate large Stokes shift. We rather developed an integrated sensor concept relying on two polarizers to separate the emission and excitation light. One polarizer is located right after the OLED, while the other one, oriented at 90 deg. to the first, is placed in front of the OPD. The main advantage of this solution is that any combination of excitation and emission light is acceptable, even if the two signals overlap spectrally. This is especially important for the use of OLEDs as the excitation sources, as these devices typically exhibit a broad spectral emission

  4. Conversion from tooth enamel dose to organ doses for electron spin resonance dosimetry

    International Nuclear Information System (INIS)

    Takahashi, Fumiaki; Yamaguchi, Yasuhiro; Saito, Kimiaki; Hamada, Tatsuji

    2002-01-01

    Conversion from tooth enamel dose to organ doses was analyzed to establish a method of retrospective individual dose assessment against external photon exposure by electron spin resonance (ESR) dosimetry. Dose to tooth enamel was obtained by Monte Carlo calculations using a modified MIRD-type phantom with a teeth part. The calculated tooth enamel doses were verified by measurements with thermo-luminescence dosimeters inserted in a physical head phantom. Energy and angular dependences of tooth enamel dose were compared with those of other organ doses. Additional Monte Carlo calculations were performed to study the effect of human model on the tooth enamel dose with a voxel-type phantom, which was based on computed tomography images of the physical phantom. The data derived with the modified MIRD-type phantom were applied to convert from tooth enamel dose to organ doses against external photon exposure in a hypothesized field, where scattered radiation was taken into account. The results indicated that energy distribution of photons incident to a human body is required to evaluate precisely an individual dose based on ESR dosimetry for teeth. (author)

  5. Presentation of various types of electronic business available on the Internet, Advantages, Disadvantages, Key Requirements and Security, Implementation Model of an Electronic Business

    OpenAIRE

    Andreea A.S. Ionescu; Raul Serban

    2012-01-01

    This paper speaks about the advantages, disadvantages, key requirements necessary of an electronic business, the infrastructure of the Internet, the existing main networks on the Internet, standards used to develop electronic business and the security of an e-business environment. As we know in an organization the information is an asset that has value and should be protected and diversified. We also propose an implementation model of an electronic business that interconnects two concepts: ER...

  6. Exciton confinement in organic dendrimer quantum wells for opto-electronic applications

    Science.gov (United States)

    Lupton, J. M.; Samuel, I. D. W.; Burn, P. L.; Mukamel, S.

    2002-01-01

    Organic dendrimers are a fascinating new class of materials for opto-electronic applications. We present coupled electronic oscillator calculations on novel nanoscale conjugated dendrimers for use in organic light-emitting diodes. Strong confinement of excitations at the center of the dendrimers is observed, which accounts for the dependence of intermolecular interactions and charge transport on the degree of branching of the dendrimer. The calculated absorption spectra are in excellent agreement with the measured data and show that benzene rings are shared between excitations on the linear segments of the hyperbranched molecules. The coupled electronic oscillator approach is ideally suited to treat large dendritic molecules.

  7. Tuning electron transport in metal films and graphene with organic monolayers

    NARCIS (Netherlands)

    Ataç, Derya

    2014-01-01

    Introducing organic molecules into electronic devices has attracted significant research interest due to its promise in both technological development and fundamental research. Organic molecules are used for many purposes such as uniform and patterned doping of silicon with donor atoms and the

  8. Size-dependent electronic eigenstates of multilayer organic quantum wells

    International Nuclear Information System (INIS)

    Nguyen Ba An; Hanamura, E.

    1995-09-01

    A detailed theoretical treatment is given eigenfunctions and eigenenergies of a multilayer organic quantum well sandwiched between two different dielectric media. The abrupt change of dielectric constants at the interfaces distorts the wave function and results in possible surface states in addition to propagating states. The proper boundary conditions are accounted for by the method of image charges. Analytic criteria for existence of surface states are established using the nearest layers approximation, which depend not only on the intralayer parameters but also on the number of layers. The size dependence together with the dependence on signs and relative magnitudes of the structure parameters fully determine the energy spectrum of propagating states as well as the number and the location of surface states. (author). 28 refs, 10 figs, 2 tabs

  9. Dithienosilolothiophene: A New Polyfused Donor for Organic Electronics

    KAUST Repository

    Schroeder, Bob C.

    2015-08-13

    We report the synthesis of a novel pentacyclic donor moiety, dithienosilolothiophene, and its incorporation into low bandgap semiconducting polymers. The unique geometry of this new donor allowed attaching four solubilizing side chains on the same side of the fused ring system, thus ensuring sufficient solubility when incorporated into conjugated polymers while simultaneously reducing the steric hindrance between adjacent polymer chains. The optoelectronic properties of three new polymers comprising the novel pentacyclic donor were investigated and compared to structurally similar thieno[3,2-b]thienobis(silolothiophene) polymers. Organic solar cells were fabricated in order to evaluate the new materials’ potential as donor polymers in bulk heterojunction solar cells and gain further insight into how the single-sided side-chain arrangement affects the active layer blend morphology.

  10. Dithienosilolothiophene: A New Polyfused Donor for Organic Electronics

    KAUST Repository

    Schroeder, Bob C.; Kirkus, Mindaugas; Nielsen, Christian B.; Ashraf, Raja Shahid; McCulloch, Iain

    2015-01-01

    We report the synthesis of a novel pentacyclic donor moiety, dithienosilolothiophene, and its incorporation into low bandgap semiconducting polymers. The unique geometry of this new donor allowed attaching four solubilizing side chains on the same side of the fused ring system, thus ensuring sufficient solubility when incorporated into conjugated polymers while simultaneously reducing the steric hindrance between adjacent polymer chains. The optoelectronic properties of three new polymers comprising the novel pentacyclic donor were investigated and compared to structurally similar thieno[3,2-b]thienobis(silolothiophene) polymers. Organic solar cells were fabricated in order to evaluate the new materials’ potential as donor polymers in bulk heterojunction solar cells and gain further insight into how the single-sided side-chain arrangement affects the active layer blend morphology.

  11. Organic ice resists for 3D electron-beam processing: Instrumentation and operation

    DEFF Research Database (Denmark)

    Tiddi, William; Elsukova, Anna; Beleggia, Marco

    2018-01-01

    Organic vapors condensed into thin layers of ice on the surface of a cold substrate are exposed with an electron beam to create resist patterns for lithography applications. The entire spin- and development-free lithography process requires a single custom instrument. We report the design, material...... choice, implementation and operation of this apparatus. It is based on a scanning electron microscope fitted with an electron beam control system that is normally used for electron beam lithography in a multi-user open-access laboratory. The microscope was also equipped with a gas injection system......, a liquid nitrogen cooled cryostage, a temperature control system, and a load-lock. Three steps are required to initialize the apparatus for organic ice resist processing, and two steps are required to restore the apparatus for routine multi-user operations. Five steps are needed to create organic ice...

  12. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

    Directory of Open Access Journals (Sweden)

    Luis R. Domingo

    2016-09-01

    Full Text Available A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT, is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT, the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

  13. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

    Science.gov (United States)

    Domingo, Luis R

    2016-09-30

    A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

  14. Virtuous organization: A structural equation modeling approach

    Directory of Open Access Journals (Sweden)

    Majid Zamahani

    2013-02-01

    Full Text Available For years, the idea of virtue was unfavorable among researchers and virtues were traditionally considered as culture-specific, relativistic and they were supposed to be associated with social conservatism, religious or moral dogmatism, and scientific irrelevance. Virtue and virtuousness have been recently considered seriously among organizational researchers. The proposed study of this paper examines the relationships between leadership, organizational culture, human resource, structure and processes, care for community and virtuous organization. Structural equation modeling is employed to investigate the effects of each variable on other components. The data used in this study consists of questionnaire responses from employees in Payam e Noor University in Yazd province. A total of 250 questionnaires were sent out and a total of 211 valid responses were received. Our results have revealed that all the five variables have positive and significant impacts on virtuous organization. Among the five variables, organizational culture has the most direct impact (0.80 and human resource has the most total impact (0.844 on virtuous organization.

  15. A kinetic model for runaway electrons in the ionosphere

    Directory of Open Access Journals (Sweden)

    G. Garcia

    2006-09-01

    Full Text Available Electrodynamic models and measurements with satellites and incoherent scatter radars predict large field aligned current densities on one side of the auroral arcs. Different authors and different kinds of studies (experimental or modeling agree that the current density can reach up to hundreds of µA/m2. This large current density could be the cause of many phenomena such as tall red rays or triggering of unstable ion acoustic waves. In the present paper, we consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a static electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. We present the essential elements of this collision operator: the Langevin equation for electrons/ions and electrons/electrons collisions and the Monte-Carlo and null collision methods for electrons/neutrals collisions. A computational example is given illustrating the approach to equilibrium and the impact of the different terms (electrons/electrons and electrons/ions collisions on the one hand and electrons/neutrals collisions on the other hand. Then, a parallel electric field is applied in a new sample run. In this run, the electrons move in the z direction parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density, up to 20% of the total current density.

  16. A kinetic model for runaway electrons in the ionosphere

    Directory of Open Access Journals (Sweden)

    G. Garcia

    2006-09-01

    Full Text Available Electrodynamic models and measurements with satellites and incoherent scatter radars predict large field aligned current densities on one side of the auroral arcs. Different authors and different kinds of studies (experimental or modeling agree that the current density can reach up to hundreds of µA/m2. This large current density could be the cause of many phenomena such as tall red rays or triggering of unstable ion acoustic waves. In the present paper, we consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a static electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. We present the essential elements of this collision operator: the Langevin equation for electrons/ions and electrons/electrons collisions and the Monte-Carlo and null collision methods for electrons/neutrals collisions. A computational example is given illustrating the approach to equilibrium and the impact of the different terms (electrons/electrons and electrons/ions collisions on the one hand and electrons/neutrals collisions on the other hand. Then, a parallel electric field is applied in a new sample run. In this run, the electrons move in the z direction parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density, up to 20% of the total current density.

  17. FTL Quantum Models of the Photon and the Electron

    International Nuclear Information System (INIS)

    Gauthier, Richard F.

    2007-01-01

    A photon is modeled by an uncharged superluminal quantum moving at 1.414c along an open 45-degree helical trajectory with radius R = λ/2π (where λ is the helical pitch or wavelength). A mostly superluminal spatial model of an electron is composed of a charged pointlike quantum circulating at an extremely high frequency ( 2.5 x 1020 hz) in a closed, double-looped hehcal trajectory whose helical pitch is one Compton wavelength h/mc. The quantum has energy and momentum but not rest mass, so its speed is not limited by c. sThe quantum's speed is superluminal 57% of the time and subluminal 43% of the time, passing through c twice in each trajectory cycle. The quantum's maximum speed in the electron's rest frame is 2.515c and its minimum speed is .707c. The electron model's helical trajectory parameters are selected to produce the electron's spin (ℎ/2π)/2 and approximate (without small QED corrections) magnetic moment e(ℎ/2π)/2m (the Bohr magneton μB) as well as its Dirac equation-related 'jittery motion' angular frequency 2mc2/(ℎ/2π), amplitude (ℎ/2π)/2mc and internal speed c. The two possible helicities of the electron model correspond to the electron and the positron. With these models, an electron is like a closed circulating photon. The electron's inertia is proposed to be related to the electron model's circulating internal Compton momentum mc. The internal superluminalily of the photon model, the internal superluminahty/subluminality of the electron model, and the proposed approach to the electron's inertia as ''momentum at rest'' within the electron, could be relevant to possible mechanisms of superluminal communication and transportation

  18. Controlling charge injection in organic electronic devices using self-assembled monolayers

    Science.gov (United States)

    Campbell, I. H.; Kress, J. D.; Martin, R. L.; Smith, D. L.; Barashkov, N. N.; Ferraris, J. P.

    1997-12-01

    We demonstrate control and improvement of charge injection in organic electronic devices by utilizing self-assembled monolayers (SAMs) to manipulate the Schottky energy barrier between a metal electrode and the organic electronic material. Hole injection from Cu electrodes into the electroluminescent conjugated polymer poly[2-methoxy,5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] was varied by using two conjugated-thiol based SAMs. The chemically modified electrodes were incorporated in organic diode structures and changes in the metal/polymer Schottky energy barriers and current-voltage characteristics were measured. Decreasing (increasing) the Schottky energy barrier improves (degrades) charge injection into the polymer.

  19. Customer Knowledge Management Application in Gaining Organization's Competitive Advantage in Electronic Commerce

    OpenAIRE

    Aghamirian, Bahman; Dorri, Behrouz; Aghamirian, Babak

    2015-01-01

    In modern organizations, knowledge is the fundamental basis of competition. In the new context, two major factors determine the future survival or success of organizations: electronic commerce and the knowledge from customers. Thus, the goals of the research were figured out, and investigating the relationship and application of customer's knowledge management in gaining competitive advantages of organizations in E-commerce and also the 8 followings factors were investigated: knowledge from c...

  20. Phase-Space Models of Solitary Electron Hoies

    DEFF Research Database (Denmark)

    Lynov, Jens-Peter; Michelsen, Poul; Pécseli, Hans

    1985-01-01

    Two different phase-space models of solitary electron holes are investigated and compared with results from computer simulations of an actual laboratory experiment, carried out in a strongly magnetized, cylindrical plasma column. In the two models, the velocity distribution of the electrons...

  1. Organic electronics based pressure sensor towards intracranial pressure monitoring

    Science.gov (United States)

    Rai, Pratyush; Varadan, Vijay K.

    2010-04-01

    The intra-cranial space, which houses the brain, contains cerebrospinal fluid (CSF) that acts as a fluid suspension medium for the brain. The CSF is always in circulation, is secreted in the cranium and is drained out through ducts called epidural veins. The venous drainage system has inherent resistance to the flow. Pressure is developed inside the cranium, which is similar to a rigid compartment. Normally a pressure of 5-15 mm Hg, in excess of atmospheric pressure, is observed at different locations inside the cranium. Increase in Intra-Cranial Pressure (ICP) can be caused by change in CSF volume caused by cerebral tumors, meningitis, by edema of a head injury or diseases related to cerebral atrophy. Hence, efficient ways of monitoring ICP need to be developed. A sensor system and monitoring scheme has been discussed here. The system architecture consists of a membrane less piezoelectric pressure sensitive element, organic thin film transistor (OTFT) based signal transduction, and signal telemetry. The components were fabricated on flexible substrate and have been assembled using flip-chip packaging technology. Material science and fabrication processes, subjective to the device performance, have been discussed. Capability of the device in detecting pressure variation, within the ICP pressure range, is investigated and applicability of measurement scheme to medical conditions has been argued for. Also, applications of such a sensor-OTFT assembly for logic sensor switching and patient specific-secure monitoring system have been discussed.

  2. Fluorene-based macromolecular nanostructures and nanomaterials for organic (opto)electronics.

    Science.gov (United States)

    Xie, Ling-Hai; Yang, Su-Hui; Lin, Jin-Yi; Yi, Ming-Dong; Huang, Wei

    2013-10-13

    Nanotechnology not only opens up the realm of nanoelectronics and nanophotonics, but also upgrades organic thin-film electronics and optoelectronics. In this review, we introduce polymer semiconductors and plastic electronics briefly, followed by various top-down and bottom-up nano approaches to organic electronics. Subsequently, we highlight the progress in polyfluorene-based nanoparticles and nanowires (nanofibres), their tunable optoelectronic properties as well as their applications in polymer light-emitting devices, solar cells, field-effect transistors, photodetectors, lasers, optical waveguides and others. Finally, an outlook is given with regard to four-element complex devices via organic nanotechnology and molecular manufacturing that will spread to areas such as organic mechatronics in the framework of robotic-directed science and technology.

  3. Molecular modeling and multiscaling issues for electronic material applications

    CERN Document Server

    Iwamoto, Nancy; Yuen, Matthew; Fan, Haibo

    Volume 1 : Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications.  Part I presents  the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue.  Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example ...

  4. The Dismantling of the Japanese Model in Consumer Electronics The Case of the Digital Amplifier

    OpenAIRE

    Jens Frøslev Christensen; Michael Holm Olesen; Jonas Kjær

    2004-01-01

    This paper addresses an issue of great importance for the future organization of the consumer electronics industry: the "battle" of control over component-based digitization. We are now witnessing the dismantling of the Japanese Model that has prevailed in consumer electronics over the past 30 years. Specialized and large-scale component suppliers have taken the lead in most component-based innovations and have obtained increasingly powerful positions in the value chain of cons...

  5. Orbital Models and Electronic Structure Theory

    DEFF Research Database (Denmark)

    Linderberg, Jan

    2012-01-01

    This tribute to the work by Carl Johan Ballhausen focuses on the emergence of quantitative means for the study of the electronic properties of complexes and molecules. Development, refinement and application of the orbital picture elucidated electric and magnetic features of ranges of molecules...

  6. Financing the Electronic Library: Models and Options.

    Science.gov (United States)

    Waters, Richard L.; Kralisz, Victor Frank

    1981-01-01

    Places the cost considerations associated with public library automation in a framework of public finance comfortable to most administrators, discusses the importance of experience with use patterns in the electronic library in opening up new and innovative financing methods, and stresses the role of the library in the information industry. (JL)

  7. 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.

  8. On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

    Science.gov (United States)

    Turi, László

    2016-04-01

    We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

  9. On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

    Energy Technology Data Exchange (ETDEWEB)

    Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary)

    2016-04-21

    We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

  10. Simple model of electron beam initiated dielectric breakdown

    International Nuclear Information System (INIS)

    Beers, B.L.; Daniell, R.E.; Delmer, T.N.

    1985-01-01

    A steady state model that describes the internal charge distribution of a planar dielectric sample exposed to a uniform electron beam was developed. The model includes the effects of charge deposition and ionization of the beam, separate trap-modulated mobilities for electrons and holes, electron-hole recombination, and pair production by drifting thermal electrons. If the incident beam current is greater than a certain critical value (which depends on sample thickness as well as other sample properties), the steady state solution is non-physical

  11. Theoretical modeling of electronic transport in molecular devices

    Science.gov (United States)

    Piccinin, Simone

    In this thesis a novel approach for simulating electronic transport in nanoscale structures is introduced. We consider an open quantum system (the electrons of structure) accelerated by an external electromotive force and dissipating energy through inelastic scattering with a heat bath (phonons) acting on the electrons. This method can be regarded as a quantum-mechanical extension of the semi-classical Boltzmann transport equation. We use periodic boundary conditions and employ Density Functional Theory to recast the many-particle problem in an effective single-particle mean-field problem. By explicitly treating the dissipation in the electrodes, the behavior of the potential is an outcome of our method, at variance with the scattering approaches based on the Landauer formalism. We study the self-consistent steady-state solution, analyzing the out-of-equilibrium electron distribution, the electrical characteristics, the behavior of the self-consistent potential and the density of states of the system. We apply the method to the study of electronic transport in several molecular devices, consisting of small organic molecules or atomic wires sandwiched between gold surfaces. For gold wires we recover the experimental evidence that transport in short wires is ballistic, independent of the length of the wire and with conductance of one quantum. In benzene-1,4-dithiol we find that the delocalization of the frontier orbitals of the molecule is responsible for the high value of conductance and that, by inserting methylene groups to decouple the sulfur atoms from the carbon ring, the current is reduced, in agreement with the experimental measurements. We study the effect a geometrical distortion in a molecular device, namely the relative rotation of the carbon rings in a biphenyl-4,4'-dithiol molecule. We find that the reduced coupling between pi orbitals of the rings induced by the rotation leads to a reduction of the conductance and that this behavior is captured by a

  12. Localization of electrons by electron-electron interaction in an Anderson model

    International Nuclear Information System (INIS)

    Ritala, R.K.; Kurkijaervi, J.

    1981-01-01

    We study the effect of attractive Hubbard interaction on disordered electron system. We map the interacting system back to noninteracting one and determine self-consistently the disorder change due to interaction in the system. (author)

  13. An Organization's Extended (Soft) Competencies Model

    Science.gov (United States)

    Rosas, João; Macedo, Patrícia; Camarinha-Matos, Luis M.

    One of the steps usually undertaken in partnerships formation is the assessment of organizations’ competencies. Typically considered competencies of a functional or technical nature, which provide specific outcomes can be considered as hard competencies. Yet, the very act of collaboration has its specific requirements, for which the involved organizations must be apt to exercise other type of competencies that affect their own performance and the partnership success. These competencies are more of a behavioral nature, and can be named as soft-competencies. This research aims at addressing the effects of the soft competencies on the performance of the hard ones. An extended competencies model is thus proposed, allowing the construction of adjusted competencies profiles, in which the competency levels are adjusted dynamically according to the requirements of collaboration opportunities.

  14. Modeling photocurrent transients in organic solar cells

    International Nuclear Information System (INIS)

    Hwang, I; Greenham, N C

    2008-01-01

    We investigate the transient photocurrents of organic photovoltaic devices in response to a sharp turn-on of illumination, by numerical modeling of the drift-diffusion equations. We show that the photocurrent turn-on dynamics are determined not only by the transport dynamics of free charges, but also by the time required for the population of geminate charge pairs to reach its steady-state value. The dissociation probability of a geminate charge pair is found to be a key parameter in determining the device performance, not only by controlling the efficiency at low intensities, but also in determining the fate of charge pairs formed by bimolecular recombination at high intensities. Bimolecular recombination is shown to reduce the turn-on time at high intensities, since the typical distance traveled by a charge pair is reduced.

  15. Phenomenological model of an electron flow with a virtual cathode

    International Nuclear Information System (INIS)

    Koronovskij, A.A.; Khramov, A.E.; Anfinogenov, V.G.

    1999-01-01

    A phenomenological model of electron flow with a virtual cathode in diode space, which is a modification of cellular automation, is suggested. The type of models, called cellular conveyer, permits making allowance for distribution and delay in a beam with a virtual cathode. A good agreement between results of numerical study of electron flow dynamics and results obtained using the phenomenological model described has been achieved [ru

  16. Modelling of non-thermal electron cyclotron emission during ECRH

    International Nuclear Information System (INIS)

    Tribaldos, V.; Krivenski, V.

    1990-01-01

    The existence of suprathermal electrons during Electron Cyclotron Resonance Heating experiments in tokamaks is today a well established fact. At low densities the creation of large non-thermal electron tails affects the temperature profile measurements obtained by 2 nd harmonic, X-mode, low-field side, electron cyclotron emission. At higher densities suprathermal electrons can be detected by high-field side emission. In electron cyclotron current drive experiments a high energy suprathermal tail, asymmetric in v, is observed. Non-Maxwellian electron distribution functions are also typically observed during lower-hybrid current drive experiments. Fast electrons have been observed during ionic heating by neutral beams as well. Two distinct approaches are currently used in the interpretation of the experimental results: simple analytical models which reproduce some of the expected non-Maxwellian characteristics of the electron distribution function are employed to get a qualitative picture of the phenomena; sophisticated numerical Fokker-Planck calculations give the electron distribution function from which the emission spectra are computed. No algorithm is known to solve the inverse problem, i.e. to compute the electron distribution function from the emitted spectra. The proposed methods all relay on the basic assumption that the electron distribution function has a given functional dependence on a limited number of free parameters, which are then 'measured' by best fitting the experimental results. Here we discuss the legitimacy of this procedure. (author) 7 refs., 5 figs

  17. Dynamic pricing models for electronic business

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    learning. We present a detailed example of an e-business market to show the ... to auction based models and §6 is devoted to game theoretic models. ..... Machine learning models: An e-business market provides a rich playground for online.

  18. Electron-Rotor Interaction in Organic-Inorganic Lead Iodide Perovskites Discovered by Isotope Effects.

    Science.gov (United States)

    Gong, Jue; Yang, Mengjin; Ma, Xiangchao; Schaller, Richard D; Liu, Gang; Kong, Lingping; Yang, Ye; Beard, Matthew C; Lesslie, Michael; Dai, Ying; Huang, Baibiao; Zhu, Kai; Xu, Tao

    2016-08-04

    We report on the carrier-rotor coupling effect in perovskite organic-inorganic hybrid lead iodide (CH3NH3PbI3) compounds discovered by isotope effects. Deuterated organic-inorganic perovskite compounds including CH3ND3PbI3, CD3NH3PbI3, and CD3ND3PbI3 were synthesized. Devices made from regular CH3NH3PbI3 and deuterated CH3ND3PbI3 exhibit comparable performance in band gap, current-voltage, carrier mobility, and power conversion efficiency. However, a time-resolved photoluminescence (TRPL) study reveals that CH3NH3PbI3 exhibits notably longer carrier lifetime than that of CH3ND3PbI3, in both thin-film and single-crystal formats. Furthermore, the comparison in carrier lifetime between CD3NH3PbI3 and CH3ND3PbI3 single crystals suggests that vibrational modes in methylammonium (MA(+)) have little impact on carrier lifetime. In contrast, the fully deuterated compound CD3ND3PbI3 reconfirmed the trend of decreasing carrier lifetime upon the increasing moment of inertia of cationic MA(+). Polaron model elucidates the electron-rotor interaction.

  19. 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

  20. Heteromolecular metal–organic interfaces: Electronic and structural fingerprints of chemical bonding

    International Nuclear Information System (INIS)

    Stadtmüller, Benjamin; Schröder, Sonja; Kumpf, Christian

    2015-01-01

    Highlights: • We present a study of molecular donor–acceptor blends adsorbed on Ag(1 1 1). • Geometric and electronic structure of blends and pristine phases are compared. • The surface bonding of the acceptor is strengthened, that of the donor weakened. • But counter intuitively, the acceptor (donor) bond length becomes larger (smaller). • This contradiction is resolved by a model based on charge transfer via the surface. - Abstract: Beside the fact that they attract highest interest in the field of organic electronics, heteromolecular structures adsorbed on metal surfaces, in particular donor–acceptor blends, became a popular field in fundamental science, possibly since some surprising and unexpected behaviors were found for such systems. One is the apparent breaking of a rather fundamental rule in chemistry, namely that stronger chemical bonds go along with shorter bond lengths, as it is, e.g., well-known for the sequence from single to triple bonds. In this review we summarize the results of heteromolecular monolayer structures adsorbed on Ag(1 1 1), which – regarding this rule – behave in a counterintuitive way. The charge acceptor moves away from the substrate while its electronic structure indicates a stronger chemical interaction, indicated by a shift of the formerly lowest unoccupied molecular orbital toward higher binding energies. The donor behaves in the opposite way, it gives away charge, hence, electronically the bonding to the surface becomes weaker, but at the same time it also approaches the surface. It looks as if the concordant link between electronic and geometric structure was broken. But both effects can be explained by a substrate-mediated charge transfer from the donor to the acceptor. The charge reorganization going along with this transfer is responsible for both, the lifting-up of the acceptor molecule and the filling of its LUMO, and also for the reversed effects at the donor molecules. In the end, both molecules

  1. Electronic learning and constructivism: a model for nursing education.

    Science.gov (United States)

    Kala, Sasikarn; Isaramalai, Sang-Arun; Pohthong, Amnart

    2010-01-01

    Nurse educators are challenged to teach nursing students to become competent professionals, who have both in-depth knowledge and decision-making skills. The use of electronic learning methods has been found to facilitate the teaching-learning process in nursing education. Although learning theories are acknowledged as useful guides to design strategies and activities of learning, integration of these theories into technology-based courses appears limited. Constructivism is a theoretical paradigm that could prove to be effective in guiding the design of electronic learning experiences for the purpose of providing positive outcomes, such as the acquisition of knowledge and decision-making skills. Therefore, the purposes of this paper are to: describe electronic learning, present a brief overview of what is known about the outcomes of electronic learning, discuss constructivism theory, present a model for electronic learning using constructivism, and describe educators' roles emphasizing the utilization of the model in developing electronic learning experiences in nursing education.

  2. Power Electronic Packaging Design, Assembly Process, Reliability and Modeling

    CERN Document Server

    Liu, Yong

    2012-01-01

    Power Electronic Packaging presents an in-depth overview of power electronic packaging design, assembly,reliability and modeling. Since there is a drastic difference between IC fabrication and power electronic packaging, the book systematically introduces typical power electronic packaging design, assembly, reliability and failure analysis and material selection so readers can clearly understand each task's unique characteristics. Power electronic packaging is one of the fastest growing segments in the power electronic industry, due to the rapid growth of power integrated circuit (IC) fabrication, especially for applications like portable, consumer, home, computing and automotive electronics. This book also covers how advances in both semiconductor content and power advanced package design have helped cause advances in power device capability in recent years. The author extrapolates the most recent trends in the book's areas of focus to highlight where further improvement in materials and techniques can d...

  3. Sputter Deposited TiOx Thin-Films as Electron Transport Layers in Organic Solar Cells

    DEFF Research Database (Denmark)

    Mirsafaei, Mina; Bomholt Jensen, Pia; Lakhotiya, Harish

    transparency and favorable energy-level alignment with many commonly used electron-acceptor materials. There are several methods available for fabricating compact TiOx thin-films for use in organic solar cells, including sol-gel solution processing, spray pyrolysis and atomic-layer deposition; however...... of around 7%, by incorporating sputter deposited TiOx thin-films as electron-transport and exciton-blocking layers. In the work, we report on the effect of different TiOx deposition temperatures and thicknesses on the organic-solar-cell device performance. Besides optical characterization, AFM and XRD...... analyses are performed to characterize the morphology and crystal structure of the films, and external quantum efficiency measurements are employed to shed further light on the device performance. Our study presents a novel method for implementation of TiOx thin-films as electron-transport layer in organic...

  4. A Electronic Map Data Model Based on PDF

    Science.gov (United States)

    Zhou, Xiaodong; Yang, Chuncheng; Meng, Nina; Peng, Peng

    2018-05-01

    In this paper, we proposed the PDFEMAP (PDF electronic map) that is a kind of new electronic map products aiming at the current situation and demand of the use of electronic map products. Firstly gives the definition and characteristics of PDFEMAP, followed by a detailed description of the data model and method for generating PDFEMAP, and finally expounds application modes of the PDFEMAP which feasibility and effectiveness are verified.

  5. Simulation model for electron irradiated IGZO thin film transistors

    Science.gov (United States)

    Dayananda, G. K.; Shantharama Rai, C.; Jayarama, A.; Kim, Hyun Jae

    2018-02-01

    An efficient drain current simulation model for the electron irradiation effect on the electrical parameters of amorphous In-Ga-Zn-O (IGZO) thin-film transistors is developed. The model is developed based on the specifications such as gate capacitance, channel length, channel width, flat band voltage etc. Electrical parameters of un-irradiated IGZO samples were simulated and compared with the experimental parameters and 1 kGy electron irradiated parameters. The effect of electron irradiation on the IGZO sample was analysed by developing a mathematical model.

  6. In situ UV-visible absorption during spin-coating of organic semiconductors: A new probe for organic electronics and photovoltaics

    KAUST Repository

    Abdelsamie, Maged; Zhao, Kui; Niazi, Muhammad Rizwan; Chou, Kang Wei; Amassian, Aram

    2014-01-01

    Spin-coating is the most commonly used technique for the lab-scale production of solution processed organic electronic, optoelectronic and photovoltaic devices. Spin-coating produces the most efficient solution-processed organic solar cells and has

  7. Electron spin resonance spectroscopy of organic radicals spectroscopy of organic radicals

    CERN Document Server

    Gerson, Fabian

    2006-01-01

    ""This book should serve as a comprehensive one-volume source for finding what is known about the splitting constants and g factors of virtually all types of organic radicals."" Journal of the American Chemistry Society, 2004, Vol. 126 No. 20

  8. Decomposition of organic pollutants in industrial Effluent induced by advanced oxidation process with Electron beam irradiation

    International Nuclear Information System (INIS)

    Duarte, C.L.; Sampa, M.H.O.; Rela, P.R.; Oikawa, H.; Silveira, C.G.

    2001-01-01

    Advanced Oxidation Process (AOP) by electron beam irradiation induce the decomposition of pollutants in industrial effluent. Experiments were conducted using a Radiation Dynamics Electron Beam Accelerator with 1.5 MeV energy and 37 Kew power. Experiments were conducted using samples from a Governmental Wastewater Treatment Plant (WTP) that receives about 20% of industrial wastewater, with the objective of use the electrons beam technology to destroy the refractory organic pollutants. Samples from WTP main Industrial Receiver Unit influent (IRU), Coarse Bar Screens effluent (CBS), Medium Bar Screens effluent (MBS), Primary Sedimentation effluent (PS) and Final Effluent (FE), were collected and irradiated in the electron beam accelerator in a batch system. The delivered doses were 5.0kGy, 10.0kGy and 20.0kGy. The electron beam irradiation showed be efficient on destroying the organic compounds delivered in these effluents mainly chloroform, dichloroethane, methyl isobutyl ketone, benzene, toluene, xylene, phenol. The necessary dose to remove 90% of the most organic compounds from industry effluent was 20 kGy. The removal of organic compounds from this complex mixture were described by the destruction G value (Gd) that were obtained for those compounds in different initial concentration and compared with literature

  9. Vacuum ultra-violet and electron energy loss spectroscopy of gaseous and solid organic compounds

    International Nuclear Information System (INIS)

    Koch, E.E.; Otto, A.

    1976-01-01

    The experimental arrangements used by the authors for the study of optical vacuum ultra-violet and electron energy loss spectra of organic compounds are described and some theoretical aspects of studies of higher excited states are considered. Results for alkanes, benzene, naphthalene, anthracene and some more complex hydrocarbons are reviewed. Recent results obtained by reflection and electron energy loss spectroscopy for single crystals of anthracene are included and their relevance for gas phase work as well as for the understanding of exciton effects in organic solids is described. (author)

  10. Methods of organization of SCORM-compliant teaching materials in electronic format

    Directory of Open Access Journals (Sweden)

    Jacek Marciniak

    2012-06-01

    Full Text Available This paper presents a method of organizing electronic teaching materials based on their role in the teaching process rather than their technical structure. Our method allows SCORM materials stored as e-learning courses („electronic books” to be subdivided and structured so that content can be used in multiple contexts. As a standard, SCORM defines rules for organizing content, but not how to divide and structure it. Our method uses UCTS nomenclature to divide content, define relationships between content entities, and aggregate those entities into courses. This allows content to be shared in different implementations of SCORM while guaranteeing that usability and consistency are maintained.

  11. Microdiffraction imaging—a suitable tool to characterize organic electronic devices

    Directory of Open Access Journals (Sweden)

    Clemens Liewald

    2015-10-01

    Full Text Available Tailoring device architecture and active film morphology is crucial for improving organic electronic devices. Therefore, knowledge about the local degree of crystallinity is indispensable to gain full control over device behavior and performance. In this article, we report on microdiffraction imaging as a new tool to characterize organic thin films on the sub-micron length scale. With this technique, which was developed at the ID01 beamline at the ESRF in Grenoble, a focused X-ray beam (300 nm diameter, 12.5 keV energy is scanned over a sample. The beam size guarantees high resolution, while material and structure specificity is gained by the choice of Bragg condition.Here, we explore the possibilities of microdiffraction imaging on two different types of samples. First, we measure the crystallinity of a pentacene thin film, which is partially buried beneath thermally deposited gold electrodes and a second organic film of fullerene C60. The data shows that the pentacene film structure is not impaired by the subsequent deposition and illustrates the potential of the technique to characterize artificial structures within fully functional electronic devices. Second, we investigate the local distribution of intrinsic polymorphism of pentacene thin films, which is very likely to have a substantial influence on electronic properties of organic electronic devices. An area of 40 μm by 40 μm is scanned under the Bragg conditions of the thin-film phase and the bulk phase of pentacene, respectively. To find a good compromise between beam footprint and signal intensity, third order Bragg condition is chosen. The scans show complementary signal distribution and hence demonstrate details of the crystalline structure with a lateral resolution defined by the beam footprint (300 nm by 3 μm.The findings highlight the range of applications of microdiffraction imaging in organic electronics, especially for organic field effect transistors and for organic solar

  12. Model for Railway Infrastructure Management Organization

    Directory of Open Access Journals (Sweden)

    Gordan Stojić

    2012-03-01

    Full Text Available The provision of appropriate quality rail services has an important role in terms of railway infrastructure: quality of infrastructure maintenance, regulation of railway traffic, line capacity, speed, safety, train station organization, the allowable lines load and other infrastructure parameters.The analysis of experiences in transforming the railway systems points to the conclusion that there is no unique solution in terms of choice for institutional rail infrastructure management modes, although more than nineteen years have passed from the beginning of the implementation of the Directive 91/440/EEC. Depending on the approach to the process of restructuring the national railway company, adopted regulations and caution in its implementation, the existence or absence of a clearly defined transport strategy, the willingness to liberalize the transport market, there are several different ways for institutional management of railway infrastructure.A hybrid model for selection of modes of institutional rail infrastructure management was developed based on the theory of artificial intelligence, theory of fuzzy sets and theory of multicriteria optimization.KEY WORDSmanagement, railway infrastructure, organizational structure, hybrid model

  13. Unified model of secondary electron cascades in diamond

    International Nuclear Information System (INIS)

    Ziaja, Beata; London, Richard A.; Hajdu, Janos

    2005-01-01

    In this article we present a detailed and unified theoretical treatment of secondary electron cascades that follow the absorption of x-ray photons. A Monte Carlo model has been constructed that treats in detail the evolution of electron cascades induced by photoelectrons and by Auger electrons following inner shell ionizations. Detailed calculations are presented for cascades initiated by electron energies between 0.1 and 10 keV. The present article expands our earlier work [B. Ziaja, D. van der Spoel, A. Szoeke, and J. Hajdu, Phys. Rev. B 64, 214104 (2001), Phys. Rev. B 66, 024116 (2002)] by extending the primary energy range, by improving the treatment of secondary electrons, especially at low electron energies, by including ionization by holes, and by taking into account their coupling to the crystal lattice. The calculations describe the three-dimensional evolution of the electron cloud, and monitor the equivalent instantaneous temperature of the free electron gas as the system cools. The dissipation of the impact energy proceeds predominantly through the production of secondary electrons whose energies are comparable to the binding energies of the valence (40-50 eV) and of the core electrons (300 eV). The electron cloud generated by a 10 keV electron is strongly anisotropic in the early phases of the cascade (t≤1 fs). At later times, the sample is dominated by low energy electrons, and these are scattered more isotropically by atoms in the sample. Our results for the total number of secondary electrons agree with available experimental data, and show that the emission of secondary electrons approaches saturation within about 100 fs following the primary impact

  14. Teaching Behavioral Modeling and Simulation Techniques for Power Electronics Courses

    Science.gov (United States)

    Abramovitz, A.

    2011-01-01

    This paper suggests a pedagogical approach to teaching the subject of behavioral modeling of switch-mode power electronics systems through simulation by general-purpose electronic circuit simulators. The methodology is oriented toward electrical engineering (EE) students at the undergraduate level, enrolled in courses such as "Power…

  15. Problem Resolution through Electronic Mail: A Five-Step Model.

    Science.gov (United States)

    Grandgenett, Neal; Grandgenett, Don

    2001-01-01

    Discusses the use of electronic mail within the general resolution and management of administrative problems and emphasizes the need for careful attention to problem definition and clarity of language. Presents a research-based five-step model for the effective use of electronic mail based on experiences at the University of Nebraska at Omaha.…

  16. Nanopatched Graphene with Molecular Self-Assembly Toward Graphene-Organic Hybrid Soft Electronics.

    Science.gov (United States)

    Kang, Boseok; Lee, Seong Kyu; Jung, Jaehyuck; Joe, Minwoong; Lee, Seon Baek; Kim, Jinsung; Lee, Changgu; Cho, Kilwon

    2018-04-30

    Increasing the mechanical durability of large-area polycrystalline single-atom-thick materials is a necessary step toward the development of practical and reliable soft electronics based on these materials. Here, it is shown that the surface assembly of organosilane by weak epitaxy forms nanometer-thick organic patches on a monolayer graphene surface and dramatically increases the material's resistance to harsh postprocessing environments, thereby increasing the number of ways in which graphene can be processed. The nanopatched graphene with the improved mechanical durability enables stable operation when used as transparent electrodes of wearable strain sensors. Also, the nanopatched graphene applied as an electrode modulates the molecular orientation of deposited organic semiconductor layers, and yields favorable nominal charge injection for organic transistors. These results demonstrate the potential for use of self-assembled organic nanopatches in graphene-based soft electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Removal of chlorinated organic compounds from gas phase using electron beam technology

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y.; Bulka, S.; Zimek, A. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Chmielewski, A. G. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Faculty of Chemical and Process Engineering, Warsaw University of Technology, Warsaw (Poland)

    2011-07-01

    Selected chlorinated organic compounds (Cl-HC), which are emitted from coal fired power plants, waste incinerators, chemical industry etc., are very harmful to the environment and human’s health. Some of them are listed as carcinogenic compounds by USA EPA. Recent studies show that some chlorinated organic compounds are suspected to be precursors for dioxins formation. Chlorinated organic compounds decomposition in air in an electron beam (EB) generated plasma reactor technology was studied. We selected cis-dichloroethylene (cis-DCE), 1,4-dichlorobenznene(1,4-DCB), 1-chloronaphthalene as studied objects. It is found that chlorinated organic compounds can be decomposed in an electron beam generated plasma reactor. The order of decomposition efficiency of these compounds are: cis-DCE > 1,4-DCB> 1-chloronaphthalene. (author)

  18. Low-voltage organic electronics based on a gate-tunable injection barrier in vertical graphene-organic semiconductor heterostructures.

    Science.gov (United States)

    Hlaing, Htay; Kim, Chang-Hyun; Carta, Fabio; Nam, Chang-Yong; Barton, Rob A; Petrone, Nicholas; Hone, James; Kymissis, Ioannis

    2015-01-14

    The vertical integration of graphene with inorganic semiconductors, oxide semiconductors, and newly emerging layered materials has recently been demonstrated as a promising route toward novel electronic and optoelectronic devices. Here, we report organic thin film transistors based on vertical heterojunctions of graphene and organic semiconductors. In these thin heterostructure devices, current modulation is accomplished by tuning of the injection barriers at the semiconductor/graphene interface with the application of a gate voltage. N-channel devices fabricated with a thin layer of C60 show a room temperature on/off ratio >10(4) and current density of up to 44 mAcm(-2). Because of the ultrashort channel intrinsic to the vertical structure, the device is fully operational at a driving voltage of 200 mV. A complementary p-channel device is also investigated, and a logic inverter based on two complementary transistors is demonstrated. The vertical integration of graphene with organic semiconductors via simple, scalable, and low-temperature fabrication processes opens up new opportunities to realize flexible, transparent organic electronic, and optoelectronic devices.

  19. A review on chemistry of a powerful organic electron acceptor 7, 7, 8, 8, tetracynoquinodimethane (TCNQ)

    Science.gov (United States)

    Singh, Yadunath

    2018-05-01

    Organic semiconductors have so far found extensive practical applications similar to inorganic semiconductors. Interest in these compounds has been stimulated by the synthesis of several powerful electron acceptors, such as tetracynoethylene (TCNE), 7, 7, 8, 8, tetracynoquinodimethane (TCNQ) and cyno-p-benzoquinone. In this connection TCNQ is of particular interest, due to presence of four powerful electron accepting groups in its molecule. Nucleophillic addition reactions, which are rarely encountered among unsaturated compounds, as well as addition reactions proceeding via a one electron transfer stage are characteristic of this substance.

  20. Electron microscopy localization and characterization of functionalized composite organic-inorganic SERS nanoparticles on leukemia cells.

    Science.gov (United States)

    Koh, Ai Leen; Shachaf, Catherine M; Elchuri, Sailaja; Nolan, Garry P; Sinclair, Robert

    2008-12-01

    We demonstrate the use of electron microscopy as a powerful characterization tool to identify and locate antibody-conjugated composite organic-inorganic nanoparticle (COINs) surface enhanced Raman scattering (SERS) nanoparticles on cells. U937 leukemia cells labeled with antibody CD54-conjugated COINs were characterized in their native, hydrated state using wet scanning electron microscopy (SEM) and in their dehydrated state using high-resolution SEM. In both cases, the backscattered electron (BSE) detector was used to detect and identify the silver constituents in COINs due to its high sensitivity to atomic number variations within a specimen. The imaging and analytical capabilities in the SEM were further complemented by higher resolution transmission electron microscopy (TEM) images and scanning Auger electron spectroscopy (AES) data to give reliable and high-resolution information about nanoparticles and their binding to cell surface antigens.

  1. Electron microscopy localization and characterization of functionalized composite organic-inorganic SERS nanoparticles on leukemia cells

    International Nuclear Information System (INIS)

    Koh, Ai Leen; Shachaf, Catherine M.; Elchuri, Sailaja; Nolan, Garry P.; Sinclair, Robert

    2008-01-01

    We demonstrate the use of electron microscopy as a powerful characterization tool to identify and locate antibody-conjugated composite organic-inorganic nanoparticle (COINs) surface enhanced Raman scattering (SERS) nanoparticles on cells. U937 leukemia cells labeled with antibody CD54-conjugated COINs were characterized in their native, hydrated state using wet scanning electron microscopy (SEM) and in their dehydrated state using high-resolution SEM. In both cases, the backscattered electron (BSE) detector was used to detect and identify the silver constituents in COINs due to its high sensitivity to atomic number variations within a specimen. The imaging and analytical capabilities in the SEM were further complemented by higher resolution transmission electron microscopy (TEM) images and scanning Auger electron spectroscopy (AES) data to give reliable and high-resolution information about nanoparticles and their binding to cell surface antigens.

  2. Project-matrix models of marketing organization

    OpenAIRE

    Gutić Dragutin; Rudelj Siniša

    2009-01-01

    Unlike theory and practice of corporation organization, in marketing organization numerous forms and contents at its disposal are not reached until this day. It can be well estimated that marketing organization today in most of our companies and in almost all its parts, noticeably gets behind corporation organization. Marketing managers have always been occupied by basic, narrow marketing activities as: sales growth, market analysis, market growth and market share, marketing research, introdu...

  3. Organic Optical Sensor Based on Monolithic Integration of Organic Electronic Devices

    Directory of Open Access Journals (Sweden)

    Hoi Lam Tam

    2015-09-01

    Full Text Available A novel organic optical sensor that integrates a front organic light-emitting diode (OLED and an organic photodiode (OPD is demonstrated. The stripe-shaped cathode is used in the OLED components to create light signals, while the space between the stripe-shaped cathodes serves as the detection window for integrated OPD units. A MoO3 (5 nm/Ag (15 nm bi-layer inter-electrode is interposed between the vertically stacked OLED and OPD units, serving simultaneously as the cathode for the front OLED and an anode for the upper OPD units in the sensor. In the integrated sensor, the emission of the OLED units is confined by the area of the opaque stripe-shaped cathodes, optimized to maximize the reflected light passing through the window space for detection by the OPD components. This can ensure high OLED emission output, increasing the signal/noise ratio. The design and fabrication flexibility of an integrated OLED/OPD device also has low cost benefits, and is light weight and ultra-thin, making it possible for application in wearable units, finger print identification, image sensors, smart light sources, and compact information systems.

  4. Electronic field emission models beyond the Fowler-Nordheim one

    Science.gov (United States)

    Lepetit, Bruno

    2017-12-01

    We propose several quantum mechanical models to describe electronic field emission from first principles. These models allow us to correlate quantitatively the electronic emission current with the electrode surface details at the atomic scale. They all rely on electronic potential energy surfaces obtained from three dimensional density functional theory calculations. They differ by the various quantum mechanical methods (exact or perturbative, time dependent or time independent), which are used to describe tunneling through the electronic potential energy barrier. Comparison of these models between them and with the standard Fowler-Nordheim one in the context of one dimensional tunneling allows us to assess the impact on the accuracy of the computed current of the approximations made in each model. Among these methods, the time dependent perturbative one provides a well-balanced trade-off between accuracy and computational cost.

  5. Application of the Technology Acceptance Model (TAM) in electronic ...

    African Journals Online (AJOL)

    Application of the Technology Acceptance Model (TAM) in electronic ticket purchase for ... current study examined the perceived usefulness and ease of use of online technology ... The findings are discussed in the light of these perspectives.

  6. Modelling and implementing electronic health records in Denmark

    DEFF Research Database (Denmark)

    Bernstein, Knut; Rasmussen, Morten Bruun; Vingtoft, Søren

    2003-01-01

    The Danish Health IT strategy points out that integration between electronic health records (EHR) systems has a high priority. This paper reporst reports new tendencies in modelling and integration platforms globally and how this is reflected in the natinal development....

  7. Microstructural control over soluble pentacene deposited by capillary pen printing for organic electronics.

    Science.gov (United States)

    Lee, Wi Hyoung; Min, Honggi; Park, Namwoo; Lee, Junghwi; Seo, Eunsuk; Kang, Boseok; Cho, Kilwon; Lee, Hwa Sung

    2013-08-28

    Research into printing techniques has received special attention for the commercialization of cost-efficient organic electronics. Here, we have developed a capillary pen printing technique to realize a large-area pattern array of organic transistors and systematically investigated self-organization behavior of printed soluble organic semiconductor ink. The capillary pen-printed deposits of organic semiconductor, 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS_PEN), was well-optimized in terms of morphological and microstructural properties by using ink with mixed solvents of chlorobenzene (CB) and 1,2-dichlorobenzene (DCB). Especially, a 1:1 solvent ratio results in the best transistor performances. This result is attributed to the unique evaporation characteristics of the TIPS_PEN deposits where fast evaporation of CB induces a morphological evolution at the initial printed position, and the remaining DCB with slow evaporation rate offers a favorable crystal evolution at the pinned position. Finally, a large-area transistor array was facilely fabricated by drawing organic electrodes and active layers with a versatile capillary pen. Our approach provides an efficient printing technique for fabricating large-area arrays of organic electronics and further suggests a methodology to enhance their performances by microstructural control of the printed organic semiconducting deposits.

  8. Controlling Schottky energy barriers in organic electronic devices using self-assembled monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, I.H.; Rubin, S.; Zawodzinski, T.A.; Kress, J.D.; Martin, R.L.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Barashkov, N.N.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75083 (United States)

    1996-11-01

    We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy], 5-(2{prime}-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM{close_quote}s) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM{close_quote}s on the Ag surface potential. {ital Ab} {ital initio} Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control metal/organic interfacial electronic properties. They establish a physical principle for manipulating the relative energy levels between two materials and demonstrate an approach to improve metal/organic contacts in organic electronic devices. {copyright} {ital 1996 The American Physical Society.}

  9. Controlling Schottky energy barriers in organic electronic devices using self-assembled monolayers

    International Nuclear Information System (INIS)

    Campbell, I.H.; Rubin, S.; Zawodzinski, T.A.; Kress, J.D.; Martin, R.L.; Smith, D.L.; Barashkov, N.N.; Ferraris, J.P.

    1996-01-01

    We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy], 5-(2'-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM close-quote s) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM close-quote s on the Ag surface potential. Ab initio Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control metal/organic interfacial electronic properties. They establish a physical principle for manipulating the relative energy levels between two materials and demonstrate an approach to improve metal/organic contacts in organic electronic devices. copyright 1996 The American Physical Society

  10. Controlling Schottky energy barriers in organic electronic devices using self-assembled monolayers

    Science.gov (United States)

    Campbell, I. H.; Rubin, S.; Zawodzinski, T. A.; Kress, J. D.; Martin, R. L.; Smith, D. L.; Barashkov, N. N.; Ferraris, J. P.

    1996-11-01

    We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy, 5-(2'-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM's) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM's on the Ag surface potential. Ab initio Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control metal/organic interfacial electronic properties. They establish a physical principle for manipulating the relative energy levels between two materials and demonstrate an approach to improve metal/organic contacts in organic electronic devices.

  11. Modeling temperature dependent singlet exciton dynamics in multilayered organic nanofibers

    Science.gov (United States)

    de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob; da Silva Filho, Demétrio Antônio

    2018-05-01

    Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers and also by the behavior of the excitons generated in the material. Exciton diffusion by means of Förster resonance energy transfer is responsible, for instance, for the change with temperature of colors in the light emitted by systems composed of different types of nanofibers. To study in detail this mechanism, we model temperature dependent singlet exciton dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a kinetic Monte Carlo model is employed in combination with a genetic algorithm to theoretically reproduce time-resolved photoluminescence measurements for several temperatures. This procedure allows for the obtainment of different information regarding exciton diffusion in such a system, including temperature effects on the Förster transfer efficiency and the activation energy of the Förster mechanism. The method is general and may be employed for different systems where exciton diffusion plays a role.

  12. Melting of Domain Wall in Charge Ordered Dirac Electron of Organic Conductor α-(BEDT-TTF)2I3

    Science.gov (United States)

    Ohki, Daigo; Matsuno, Genki; Omori, Yukiko; Kobayashi, Akito

    2018-05-01

    The origin of charge order melting is identified by using the real space dependent mean-field theory in the extended Hubbard model describing an organic Dirac electron system α-(BEDT-TTF)2I3. In this model, the width of a domain wall which arises between different types of the charge ordered phase exhibits a divergent increase with decreasing the strength of electron-electron correlations. By analyzing the finite-size effect carefully, it is shown that the divergence coincides with a topological transition where a pair of Dirac cones merges in keeping with a finite gap. It is also clarified that the gap opening point and the topological transition point are different, which leads to the existence of an exotic massive Dirac electron phase with melted-type domain wall and gapless edge states. The present result also indicated that multiple metastable states are emerged in massive Dirac Electron phase. In the trivial charge ordered phase, the gapless domain-wall bound state takes place instead of the gapless edge states, accompanying with a form change of the domain wall from melted-type into hyperbolic-tangent-type.

  13. Model potentials in liquid water ionization by fast electron impact

    International Nuclear Information System (INIS)

    De Sanctis, M L; Stia, C R; Fojón, O A; Politis, M-F; Vuilleumier, R

    2015-01-01

    We study the ionization of water molecules in liquid phase by fast electron impact. We use our previous first-order model within an independent electron approximation that allows the reduction of the multielectronic problem into a monoelectronic one. The initial molecular states of the liquid water are represented in a realistic way through a Wannier orbital formalism. We complete our previous study by taking into account approximately the influence of the passive electrons of the target by means of different model potentials. We compute multiple differential cross sections for the most external orbital 1B 1 and compare them with other results

  14. Thermal modeling and design of electronic systems and devices

    International Nuclear Information System (INIS)

    Wirtz, R.A.; Lehmann, G.L.

    1990-01-01

    The thermal control electronic devices, particularly those in complex systems with high heat flux density, continues to be of interest to engineers involved in system cooling design and analysis. This volume contains papers presented at the 1990 ASME Winter Annual Meeting in two K-16 sponsored sessions: Empirical Modeling of Heat Transfer in Complex Electronic Systems and Design and Modeling of Heat Transfer Devices in High-Density Electronics. The first group deals with understanding the heat transfer processes in these complex systems. The second group focuses on the use of analysis techniques and empirically determined data in predicting device and system operating performance

  15. The Time Is Right to Focus on Model Organism Metabolomes

    Directory of Open Access Journals (Sweden)

    Arthur S. Edison

    2016-02-01

    Full Text Available Model organisms are an essential component of biological and biomedical research that can be used to study specific biological processes. These organisms are in part selected for facile experimental study. However, just as importantly, intensive study of a small number of model organisms yields important synergies as discoveries in one area of science for a given organism shed light on biological processes in other areas, even for other organisms. Furthermore, the extensive knowledge bases compiled for each model organism enable systems-level understandings of these species, which enhance the overall biological and biomedical knowledge for all organisms, including humans. Building upon extensive genomics research, we argue that the time is now right to focus intensively on model organism metabolomes. We propose a grand challenge for metabolomics studies of model organisms: to identify and map all metabolites onto metabolic pathways, to develop quantitative metabolic models for model organisms, and to relate organism metabolic pathways within the context of evolutionary metabolomics, i.e., phylometabolomics. These efforts should focus on a series of established model organisms in microbial, animal and plant research.

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

    Science.gov (United States)

    Hendrickson, Heidi Phillips

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

  17. Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics.

    Science.gov (United States)

    Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Jaung, Jae Yun; Kim, Yong-Hoon; Park, Sung Kyu

    2015-09-28

    The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.

  18. Synchrotron-based measurements of the electronic structure of the organic semiconductor copper phthalocyanine

    International Nuclear Information System (INIS)

    Downes, J.E.

    2004-01-01

    Full text: Copper phthalocyanine (CuPc) is a prototypical molecular organic semiconductor that is currently used in the construction of many organic electronic devices such as organic light emitting diodes (OLEDs). Although the material is currently being used, and despite many experimental and theoretical studies, it's detailed electronic structure is still not completely understood. This is likely due to two key factors. Firstly, the interaction of the Cu 3d and phthalocyanine ligand 2p electrons leads to the formation of a complex arrangement of localized and delocalized states near the Fermi level. Secondly, thin films of the material are subject to damage by the photon beam used to make measurements of their electronic structure. Using the synchrotron-based techniques of soft x-ray emission spectroscopy (XES) and x-ray photoemission spectroscopy (XPS), we have measured the detailed electronic structure of in-situ grown thin film samples of CuPc. Beam damage was minimized by continuous translation of the sample during data acquisition. The results obtained differ significantly from previous XES and ultraviolet photoemission measurements, but are in excellent agreement with recent density functional calculations. The reasons for these discrepancies will be explained, and their implications for future measurements on similar materials will be explored

  19. Electronic Records Management and Archives in International Organizations: A RAMP Study with Guidelines.

    Science.gov (United States)

    Dollar, Charles M.

    This study is a review of trends in information-handling technology and significant developments which are changing or will change the general environment within which archivists and records managers in international organizations will have to work. Trends in microelectronics, electronic storage, software, data transmission, computer architecture,…

  20. A benchmark study of commercially available copper nanoparticle inks for application in organic electronic devices

    NARCIS (Netherlands)

    Polino, G.; Abbel, R.; Shanmugam, S.; Bex, G.J.P.; Hendriks, R.; Brunetti, F.; Di Carlo, A.; Andriessen, R.; Galagan, Y.

    2016-01-01

    A set of three commercial copper nanoparticle based inkjet inks has been benchmarked with respect to their potential to form conducting printed structures for future applications in organic electronic devices. Significant differences were observed in terms of jetting properties, spreading behaviour

  1. A Graphical, Self-Organizing Approach to Classifying Electronic Meeting Output.

    Science.gov (United States)

    Orwig, Richard E.; Chen, Hsinchun; Nunamaker, Jay F., Jr.

    1997-01-01

    Describes research using an artificial intelligence approach in the application of a Kohonen Self-Organizing Map (SOM) to the problem of classification of electronic brainstorming output and an evaluation of the results. The graphical representation of textual data produced by the Kohonen SOM suggests many opportunities for improving information…

  2. Unravelling surface and interfacial structures of a metal–organic framework by transmission electron microscopy

    KAUST Repository

    Zhu, Yihan; Ciston, Jim; Zheng, Bin; Miao, Xiaohe; Czarnik, Cory; Pan, Yichang; Sougrat, Rachid; Lai, Zhiping; Hsiung, Chia-En; Yao, Kexin; Pinnau, Ingo; Pan, Ming; Han, Yu

    2017-01-01

    .1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM

  3. The Effectiveness of Electronic Text and Pictorial Graphic Organizers to Improve Comprehension Related to Functional Skills

    Science.gov (United States)

    Douglas, Karen H.; Ayres, Kevin M.; Langone, John; Bramlett, Virginia Bell

    2011-01-01

    This study evaluated the effects of a computer-based instructional program to assist three students with mild to moderate intellectual disabilities in using pictorial graphic organizers as aids for increasing comprehension of electronic text-based recipes. Student comprehension of recipes was measured by their ability to verbally retell recipe…

  4. Efficient electron injection from solution-processed cesium stearate interlayers in organic light-emitting diodes

    NARCIS (Netherlands)

    Wetzelaer, G. A. H.; Najafi, A.; Kist, R. J. P.; Kuik, M.; Blom, P. W. M.

    2013-01-01

    The electron-injection capability of solution-processed cesium stearate films in organic light-emitting diodes is investigated. Cesium stearate, which is expected to exhibit good solubility and film formation due to its long hydrocarbon chain, is synthesized using a straightforward procedure.

  5. Identification and measurement of chlorinated organic pesticides in water by electron-capture gas chromatography

    Science.gov (United States)

    Lamar, William L.; Goerlitz, Donald F.; Law, LeRoy M.

    1965-01-01

    Pesticides, in minute quantities, may affect the regimen of streams, and because they may concentrate in sediments, aquatic organisms, and edible aquatic foods, their detection and their measurement in the parts-per-trillion range are considered essential. In 1964 the U.S. Geological Survey at Menlo Park, Calif., began research on methods for monitoring pesticides in water. Two systems were selected--electron-capture gas chromatography and microcoulometric-titration gas chromatography. Studies on these systems are now in progress. This report provides current information on the development and application of an electron-capture gas chromatographic procedure. This method is a convenient and extremely sensitive procedure for the detection and measurement of organic pesticides having high electron affinities, notably the chlorinated organic pesticides. The electron-affinity detector is extremely sensitive to these substances but it is not as sensitive to many other compounds. By this method, the chlorinated organic pesticide may be determined on a sample of convenient size in concentrations as low as the parts-per-trillion range. To insure greater accuracy in the identifications, the pesticides reported were separated and identified by their retention times on two different types of gas chromatographic columns.

  6. Computations on injection into organics - or how to let electrons shine

    NARCIS (Netherlands)

    Uijttewaal, M.A.

    2007-01-01

    This thesis studies various aspects of electron injection into organic light-emitting diodes (OLEDs) using density functional theory and the master equation approach (only the last chapter). The first part of the thesis studies the relation between the work function and the surface stability of a

  7. Adsorption of Organic Electron Acceptors on Graphene-like Molecules: Quantum Chemical and Molecular Mechanical Study

    Czech Academy of Sciences Publication Activity Database

    Haldar, Susanta; Kolář, Michal; Sedlák, Robert; Hobza, Pavel

    2012-01-01

    Roč. 116, č. 48 (2012), s. 25328-25336 ISSN 1932-7447 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : graphene * organic electron acceptors * interaction energies * base-pairs * hydrophobic association Subject RIV: CF - Physical ; The oretical Chemistry Impact factor: 4.814, year: 2012

  8. Electron-molecule chemistry and charging processes on organic ices and Titan's icy aerosol surrogates

    Science.gov (United States)

    Pirim, C.; Gann, R. D.; McLain, J. L.; Orlando, T. M.

    2015-09-01

    Electron-induced polymerization processes and charging events that can occur within Titan's atmosphere or on its surface were simulated using electron irradiation and dissociative electron attachment (DEA) studies of nitrogen-containing organic condensates. The DEA studies probe the desorption of H- from hydrogen cyanide (HCN), acetonitrile (CH3CN), and aminoacetonitrile (NH2CH2CN) ices, as well as from synthesized tholin materials condensed or deposited onto a graphite substrate maintained at low temperature (90-130 K). The peak cross sections for H- desorption during low-energy (3-15 eV) electron irradiation were measured and range from 3 × 10-21 to 2 × 10-18 cm2. Chemical and structural transformations of HCN ice upon 2 keV electron irradiation were investigated using X-ray photoelectron and Fourier-transform infrared spectroscopy techniques. The electron-beam processed materials displayed optical properties very similar to tholins produced by conventional discharge methods. Electron and negative ion trapping lead to 1011 charges cm-2 on a flat surface which, assuming a radius of 0.05 μm for Titan aerosols, is ∼628 charges/radius (in μm). The facile charge trapping indicates that electron interactions with nitriles and complex tholin-like molecules could affect the conductivity of Titan's atmosphere due to the formation of large negative ion complexes. These negatively charged complexes can also precipitate onto Titan's surface and possibly contribute to surface reactions and the formation of dunes.

  9. Spreadsheet Modeling of Electron Distributions in Solids

    Science.gov (United States)

    Glassy, Wingfield V.

    2006-01-01

    A series of spreadsheet modeling exercises constructed as part of a new upper-level elective course on solid state materials and surface chemistry is described. The spreadsheet exercises are developed to provide students with the opportunity to interact with the conceptual framework where the role of the density of states and the Fermi-Dirac…

  10. Flexible Electronics: Integration Processes for Organic and Inorganic Semiconductor-Based Thin-Film Transistors

    Directory of Open Access Journals (Sweden)

    Fábio F. Vidor

    2015-07-01

    Full Text Available Flexible and transparent electronics have been studied intensively during the last few decades. The technique establishes the possibility of fabricating innovative products, from flexible displays to radio-frequency identification tags. Typically, large-area polymeric substrates such as polypropylene (PP or polyethylene terephthalate (PET are used, which produces new requirements for the integration processes. A key element for flexible and transparent electronics is the thin-film transistor (TFT, as it is responsible for the driving current in memory cells, digital circuits or organic light-emitting devices (OLEDs. In this paper, we discuss some fundamental concepts of TFT technology. Additionally, we present a comparison between the use of the semiconducting organic small-molecule pentacene and inorganic nanoparticle semiconductors in order to integrate TFTs suitable for flexible electronics. Moreover, a technique for integration with a submicron resolution suitable for glass and foil substrates is presented.

  11. Spectroscopic studies of organic-inorganic composite film cured by low energy electron beam

    International Nuclear Information System (INIS)

    Mahathir Mohamed; Dahlan Mohd; Ibrahim Abdullah; Eda Yuhana Ariffin

    2009-01-01

    Liquid epoxidized natural rubber acrylate (LENRA) film was reinforced with silica particles formed in-situ via sol gel process. Combination of these two components produces organic-inorganic composites. Tetraethyl orthosilicate (TEOS) was used as precursor material for silica generation. Sol gel reactions was carried out at different concentrations of TEOS i.e. between 10 and 50 phr. The compounds that contain silica were crosslinked by electron beam. Structural properties studies were carried out by Fourier Transform Infrared Spectrometer (FTIR). It was found that miscibility between organic and inorganic components improved with the presence of silanol groups (Si-OH) and polar solvent i.e. THF, via hydrogen bonding formation between siloxane and LENRA. Morphology study by the transmission electron microscopy (TEM) and scanning electron microscopy (SEM) showed in-situ generated silica particles were homogenous and well dispersed at any concentrations of TEOS. (author)

  12. Improving Care Transitions Management: Examining the Role of Accountable Care Organization Participation and Expanded Electronic Health Record Functionality.

    Science.gov (United States)

    Huber, Thomas P; Shortell, Stephen M; Rodriguez, Hector P

    2017-08-01

    Examine the extent to which physician organization participation in an accountable care organization (ACO) and electronic health record (EHR) functionality are associated with greater adoption of care transition management (CTM) processes. A total of 1,398 physician organizations from the third National Study of Physician Organization survey (NSPO3), a nationally representative sample of medical practices in the United States (January 2012-May 2013). We used data from the third National Study of Physician Organization survey (NSPO3) to assess medical practice characteristics, including CTM processes, ACO participation, EHR functionality, practice type, organization size, ownership, public reporting, and pay-for-performance participation. Multivariate linear regression models estimated the extent to which ACO participation and EHR functionality were associated with greater CTM capabilities, controlling for practice size, ownership, public reporting, and pay-for-performance participation. Approximately half (52.4 percent) of medical practices had a formal program for managing care transitions in place. In adjusted analyses, ACO participation (p risk-bearing arrangements across the country may improve the management of care transitions by physician organizations. © Health Research and Educational Trust.

  13. Models of care and organization of services.

    Science.gov (United States)

    Markova, Alina; Xiong, Michael; Lester, Jenna; Burnside, Nancy J

    2012-01-01

    This article examines the overall organization of services and delivery of health care in the United States. Health maintenance organization, fee-for-service, preferred provider organizations, and the Veterans Health Administration are discussed, with a focus on structure, outcomes, and areas for improvement. An overview of wait times, malpractice, telemedicine, and the growing population of physician extenders in dermatology is also provided. Copyright © 2012 Elsevier Inc. All rights reserved.

  14. Electron arc therapy: Influence of heterogeneities on dose to blood-forming organs

    International Nuclear Information System (INIS)

    Leavitt, D.D.; Gibbs, F.A.; Moeller, J.H.

    1986-01-01

    Electron arc therapy has been used successfully to treat extended chest wall surfaces after mastectomy. Treatment is frequently given simultaneously with chemotherapy. Although the primary electron arc treatment volume consists only of the chest wall and mediastinum, dose is accumulated at the isocenter of rotation due to the photon contamination of the arcing electron beam. Additionally, higher energy electron fields which are occasionally used over segments of the arc may contribute to the dose at isocenter if the electron range has been extended due to passage through a low-density heterogeneity such as lung. In some patient setups, the isocenter may intersect blood-forming organs, such as the vertebral bodies. Thermoluminescent dosimetry has been used to measure the dose at isocenter for the following setups: polystyrene phantom, polystyrene phantom covered by 1-cm-thick lead cast, polystyrene phantom with cork insert to simulate lung, and phantom plus cork insert plus lead cast. For the 9-MeV treatment mode, dose at isocenter per 90 0 of arc (as a percentage of maximum tumor dose) is as follows: phantom, 6.5%; phantom plus lead, 5%; phantom plus cork, 8%; and phantom plus cork plus lead, 6%. These values must be scaled by the size of the arc to estimate dose at isocenter in actual treatments. Computer calculation showed good agreement with these measured values, indicating that the computerized treatment plans can be used as a predictor of electron arc dose to blood-forming organs

  15. Developing a model for application of electronic banking based on electronic trust

    Directory of Open Access Journals (Sweden)

    Amir Hooshang Nazarpoori

    2014-05-01

    Full Text Available This study develops a model for application of electronic banking based on electronic trust among costumers of Day bank in KhoramAbad city. A sample of 150 people was selected based on stratified random sampling. Questionnaires were used for the investigation. Results indicate that technology-based factors, user-based factors, and trust had negative relationships with perceived risk types including financial, functional, personal, and private. Moreover, trust including trust in system and trust in bank had a positive relationship with tendency to use and real application of electronic banking.

  16. Accounting of inter-electron correlations in the model of mobile electron shells

    International Nuclear Information System (INIS)

    Panov, Yu.D.; Moskvin, A.S.

    2000-01-01

    One studied the basic peculiar features of the model for mobile electron shells for multielectron atom or cluster. One offered a variation technique to take account of the electron correlations where the coordinates of the centre of single-particle atomic orbital served as variation parameters. It enables to interpret dramatically variation of electron density distribution under anisotropic external effect in terms of the limited initial basis. One studied specific correlated states that might make correlation contribution into the orbital current. Paper presents generalization of the typical MO-LCAO pattern with the limited set of single particle functions enabling to take account of additional multipole-multipole interactions in the cluster [ru

  17. A Model for an Electronic Information Marketplace

    Directory of Open Access Journals (Sweden)

    Wei Ge

    2005-11-01

    Full Text Available As the information content on the Internet increases, the task of locating desired information and assessing its quality becomes increasingly difficult. This development causes users to be more willing to pay for information that is focused on specific issues, verifiable, and available upon request. Thus, the nature of the Internet opens up the opportunity for information trading. In this context, the Internet cannot only be used to close the transaction, but also to deliver the product - desired information - to the user. Early attempts to implement such business models have fallen short of expectations. In this paper, we discuss the limitations of such practices and present a modified business model for information trading, which uses a reverse auction approach together with a multiple-buyer price discovery process

  18. Characterization and Properties of Oligothiophenes Using Scanning Tunneling Microscopy for Possible Use in Organic Electronics

    International Nuclear Information System (INIS)

    Bishara, E.M.El.

    2009-01-01

    A scanning tunneling microscopy study has been made on a group of alkyl-substituted oligothiophenes. The self-assembled monolayers of this type of semi-conducting oligomers on graphite were observed and characterized. To control the self-assembly, it is important to first understand the forces that drive the spontaneous ordering of molecules at interfaces. For the identification of the forces, several substituted oligothiophenes were examined: carboxylic acid groups, methyl ester carboxylic acid, and iodine atoms at one end and benzyl esters at the other end of the oligomers this is in addition to the non-functionalized oligothiophehens, Self-assembled monolayers of these molecules were then examined by STM. A detailed analysis of the driving forces and parameters controlling the formation of the self-assembled 2- D crystal monolayers was carried out by performing modeling of the experimental observations. The theoretical calculations gave us a conclusive insight into the intermolecular interactions, which lead to the observed conformation of molecules on the surface. An attempt to react two iodinated oligomers on the surface after the formation of the monolayer has been done; a topochemical reaction studies using UV/Vis light irradiation has been preceded. The targeted reaction was achieved. This can be considered as a great step towards the formation of nano-wires and other organic electronic devices. The applicability of the above method of force-driven self organisation in different patterns was examined as template for building donor-nano structures for electronic devices. It was necessary to examine the stability of the formed templates in air. The monolayers were left to dry and STM images were taken; C60 was then added to the monolayer, and the complexation of the C60 (as acceptor) with the formed monolayer template was examined.

  19. Numerical model of the plasma formation at electron beam welding

    Energy Technology Data Exchange (ETDEWEB)

    Trushnikov, D. N., E-mail: trdimitr@yandex.ru [The Department for Applied Physics, Perm National Research Polytechnic University, Perm 614990 (Russian Federation); The Department for Welding Production and Technology of Constructional Materials, Perm National Research Polytechnic University, Perm 614990 (Russian Federation); Mladenov, G. M., E-mail: gmmladenov@abv.bg [Institute of Electronics, Bulgarian Academy of Sciences, 72 Tzarigradsko Shose, 1784 Sofia (Bulgaria); Technology Centre of Electron Beam and Plasma Technologies and Techniques, 68-70 Vrania, ap.10, Banishora, 1309 Sofia (Bulgaria)

    2015-01-07

    The model of plasma formation in the keyhole in liquid metal as well as above the electron beam welding zone is described. The model is based on solution of two equations for the density of electrons and the mean electron energy. The mass transfer of heavy plasma particles (neutral atoms, excited atoms, and ions) is taken into account in the analysis by the diffusion equation for a multicomponent mixture. The electrostatic field is calculated using the Poisson equation. Thermionic electron emission is calculated for the keyhole wall. The ionization intensity of the vapors due to beam electrons and high-energy secondary and backscattered electrons is calibrated using the plasma parameters when there is no polarized collector electrode above the welding zone. The calculated data are in good agreement with experimental data. Results for the plasma parameters for excitation of a non-independent discharge are given. It is shown that there is a need to take into account the effect of a strong electric field near the keyhole walls on electron emission (the Schottky effect) in the calculation of the current for a non-independent discharge (hot cathode gas discharge). The calculated electron drift velocities are much bigger than the velocity at which current instabilities arise. This confirms the hypothesis for ion-acoustic instabilities, observed experimentally in previous research.

  20. Investigation of Multiconfigurational Short-Range Density Functional Theory for Electronic Excitations in Organic Molecules

    DEFF Research Database (Denmark)

    Hubert, Mickaël; Hedegård, Erik D.; Jensen, Hans Jørgen Aa

    2016-01-01

    -srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2......Computational methods that can accurately and effectively predict all types of electronic excitations for any molecular system are missing in the toolbox of the computational chemist. Although various Kohn-Sham density-functional methods (KS-DFT) fulfill this aim in some cases, they become...... and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC...

  1. Controlling charge injection in organic electronic devices using self-assembled monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, I.H.; Kress, J.D.; Martin, R.L.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Barashkov, N.N.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75083 (United States)

    1997-12-01

    We demonstrate control and improvement of charge injection in organic electronic devices by utilizing self-assembled monolayers (SAMs) to manipulate the Schottky energy barrier between a metal electrode and the organic electronic material. Hole injection from Cu electrodes into the electroluminescent conjugated polymer poly[2-methoxy,5-(2{sup {prime}}-ethyl-hexyloxy)-1,4-phenylene vinylene] was varied by using two conjugated-thiol based SAMs. The chemically modified electrodes were incorporated in organic diode structures and changes in the metal/polymer Schottky energy barriers and current{endash}voltage characteristics were measured. Decreasing (increasing) the Schottky energy barrier improves (degrades) charge injection into the polymer. {copyright} {ital 1997 American Institute of Physics.}

  2. Organization model and formalized description of nuclear enterprise information system

    International Nuclear Information System (INIS)

    Yuan Feng; Song Yafeng; Li Xudong

    2012-01-01

    Organization model is one of the most important models of Nuclear Enterprise Information System (NEIS). Scientific and reasonable organization model is the prerequisite that NEIS has robustness and extendibility, and is also the foundation of the integration of heterogeneous system. Firstly, the paper describes the conceptual model of the NEIS on ontology chart, which provides a consistent semantic framework of organization. Then it discusses the relations between the concepts in detail. Finally, it gives the formalized description of the organization model of NEIS based on six-tuple array. (authors)

  3. Electron correlations in narrow energy bands: modified polar model approach

    Directory of Open Access Journals (Sweden)

    L. Didukh

    2008-09-01

    Full Text Available The electron correlations in narrow energy bands are examined within the framework of the modified form of polar model. This model permits to analyze the effect of strong Coulomb correlation, inter-atomic exchange and correlated hopping of electrons and explain some peculiarities of the properties of narrow-band materials, namely the metal-insulator transition with an increase of temperature, nonlinear concentration dependence of Curie temperature and peculiarities of transport properties of electronic subsystem. Using a variant of generalized Hartree-Fock approximation, the single-electron Green's function and quasi-particle energy spectrum of the model are calculated. Metal-insulator transition with the change of temperature is investigated in a system with correlated hopping. Processes of ferromagnetic ordering stabilization in the system with various forms of electronic DOS are studied. The static conductivity and effective spin-dependent masses of current carriers are calculated as a function of electron concentration at various DOS forms. The correlated hopping is shown to cause the electron-hole asymmetry of transport and ferromagnetic properties of narrow band materials.

  4. A model for electron currents near a field null

    International Nuclear Information System (INIS)

    Stark, R.A.; Miley, G.H.

    1987-01-01

    The fluid approximation is invalid near a field null, since the local electron orbit size and the magnetic scale length are comparable. To model the electron currents in this region we propose a single equation of motion describing the bulk electron dynamics. The equation applies to the plasma within one thermal orbit size of the null. The region is treated as unmagnetized; electrons are accelerated by the inductive electric field and drag on ions; damping is provided by viscosity due to electrons and collisions with ions. Through variational calculations and a particle tracking code for electrons, the size of the terms in the equation of motion have been estimated. The resulting equation of motion combines with Faraday's Law to produce a governing equation which implicitly contains the self inductive field of the electrons. This governing equation predicts that viscosity prevents complete cancellation of the ion current density by the electrons in the null region. Thus electron dynamics near the field null should not prevent the formation and deepening of field reversal using neutral-beam injection

  5. Molecular Understanding of Fullerene - Electron Donor Interactions in Organic Solar Cells

    KAUST Repository

    Ryno, Sean

    2016-09-13

    Organic solar cells hold promise of providing low-cost, renewable power generation, with current devices providing up to 13% power conversion efficiency. The rational design of more performant systems requires an in-depth understanding of the interactions between the electron donating and electron accepting materials within the active layers of these devices. Here, we explore works that give insight into the intermolecular interactions between electron donors and electron acceptors, and the impact of molecular orientations and environment on these interactions. We highlight, from a theoretical standpoint, the effects of intermolecular interactions on the stability of charge carriers at the donor/acceptor interface and in the bulk and how these interactions influence the nature of the charge transfer states as wells as the charge separation and charge transport processes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Prediction Model for Relativistic Electrons at Geostationary Orbit

    Science.gov (United States)

    Khazanov, George V.; Lyatsky, Wladislaw

    2008-01-01

    We developed a new prediction model for forecasting relativistic (greater than 2MeV) electrons, which provides a VERY HIGH correlation between predicted and actually measured electron fluxes at geostationary orbit. This model implies the multi-step particle acceleration and is based on numerical integrating two linked continuity equations for primarily accelerated particles and relativistic electrons. The model includes a source and losses, and used solar wind data as only input parameters. We used the coupling function which is a best-fit combination of solar wind/interplanetary magnetic field parameters, responsible for the generation of geomagnetic activity, as a source. The loss function was derived from experimental data. We tested the model for four year period 2004-2007. The correlation coefficient between predicted and actual values of the electron fluxes for whole four year period as well as for each of these years is stable and incredibly high (about 0.9). The high and stable correlation between the computed and actual electron fluxes shows that the reliable forecasting these electrons at geostationary orbit is possible.

  7. 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

  8. Blue emitting 1,8-naphthalimides with electron transport properties for organic light emitting diode applications

    Science.gov (United States)

    Ulla, Hidayath; Kiran, M. Raveendra; Garudachari, B.; Ahipa, T. N.; Tarafder, Kartick; Adhikari, Airody Vasudeva; Umesh, G.; Satyanarayan, M. N.

    2017-09-01

    In this article, the synthesis, characterization and use of two novel naphthalimides as electron-transporting emitter materials for organic light emitting diode (OLED) applications are reported. The molecules were obtained by substituting electron donating chloro-phenoxy group at the C-4 position. A detailed optical, thermal, electrochemical and related properties were systematically studied. Furthermore, theoretical calculations (DFT) were performed to get a better understanding of the electronic structures. The synthesized molecules were used as electron transporters and emitters in OLEDs with three different device configurations. The devices with the molecules showed blue emission with efficiencies of 1.89 cdA-1, 0.98 lmW-1, 0.71% at 100 cdm-2. The phosphorescent devices with naphthalimides as electron transport materials displayed better performance in comparison to the device without any electron transporting material and were analogous with the device using standard electron transporting material, Alq3. The results demonstrate that the naphthalimides could play a significant part in the progress of OLEDs.

  9. Modeling the customer in electronic commerce.

    Science.gov (United States)

    Helander, M G; Khalid, H M

    2000-12-01

    This paper reviews interface design of web pages for e-commerce. Different tasks in e-commerce are contrasted. A systems model is used to illustrate the information flow between three subsystems in e-commerce: store environment, customer, and web technology. A customer makes several decisions: to enter the store, to navigate, to purchase, to pay, and to keep the merchandize. This artificial environment must be designed so that it can support customer decision-making. To retain customers it must be pleasing and fun, and create a task with natural flow. Customers have different needs, competence and motivation, which affect decision-making. It may therefore be important to customize the design of the e-store environment. Future ergonomics research will have to investigate perceptual aspects, such as presentation of merchandize, and cognitive issues, such as product search and navigation, as well as decision making while considering various economic parameters. Five theories on e-commerce research are presented.

  10. 3D Bioprinting of Tissue/Organ Models.

    Science.gov (United States)

    Pati, Falguni; Gantelius, Jesper; Svahn, Helene Andersson

    2016-04-04

    In vitro tissue/organ models are useful platforms that can facilitate systematic, repetitive, and quantitative investigations of drugs/chemicals. The primary objective when developing tissue/organ models is to reproduce physiologically relevant functions that typically require complex culture systems. Bioprinting offers exciting prospects for constructing 3D tissue/organ models, as it enables the reproducible, automated production of complex living tissues. Bioprinted tissues/organs may prove useful for screening novel compounds or predicting toxicity, as the spatial and chemical complexity inherent to native tissues/organs can be recreated. In this Review, we highlight the importance of developing 3D in vitro tissue/organ models by 3D bioprinting techniques, characterization of these models for evaluating their resemblance to native tissue, and their application in the prioritization of lead candidates, toxicity testing, and as disease/tumor models. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Modeling of Jupiter's electron an ion radiation belts

    International Nuclear Information System (INIS)

    Sicard, Angelica

    2004-01-01

    In the Fifties, James Van Allen showed the existence of regions of the terrestrial magnetosphere consisted of energetic particles, trapped by the magnetic field: the radiation belts. The radiation belts of the Earth were the subject of many modeling works and are studied since several years at the Departement Environnement Spatial (DESP) of ONERA. In 1998, the DESP decided to adapt the radiation belts model of the Earth, Salammbo, to radiation environment of Jupiter. A first thesis was thus carried out on the subject and a first radiation belts model of electrons of Jupiter was developed [Santos-Costa, 2001]. The aim of this second thesis is to develop a radiation belts model for protons and heavy ions. In order to validate the developed model, the comparisons between Salammbo results and observations are essential. However, the validation is difficult in the case of protons and heavy ions because in-situ measurements of the probes are very few and most of the time contaminated by very energetic electrons. To solve this problem, a very good model of electrons radiation belts is essential to confirm or cancel the contamination of protons and heavy ions measurements. Thus, in parallel to the development of the protons and heavy ions radiation belts model, the electrons models, already existing, has been improved. Then Salammbo results have been compared to the different observations available (in-situ measurements, radio-astronomical observations). The different comparisons show a very good agreement between Salammbo results and observations. (author) [fr

  12. Spin delocalization phase transition in a correlated electrons model

    International Nuclear Information System (INIS)

    Huerta, L.

    1990-11-01

    In a simplified one-site model for correlated electrons systems we show the existence of a phase transition corresponding to spin delocalization. The system becomes a solvable model and zero-dimensional functional techniques are used. (author). 7 refs, 3 figs

  13. Modeling paraxial wave propagation in free-electron laser oscillators

    NARCIS (Netherlands)

    Karssenberg, J.G.; van der Slot, Petrus J.M.; Volokhine, I.; Verschuur, Jeroen W.J.; Boller, Klaus J.

    2006-01-01

    Modeling free-electron laser (FEL) oscillators requires calculation of both the light-beam interaction within the undulator and the light propagation outside the undulator. We have developed a paraxial optical propagation code that can be combined with various existing models of gain media, for

  14. Authentication in Virtual Organizations: A Reputation Based PKI Interconnection Model

    Science.gov (United States)

    Wazan, Ahmad Samer; Laborde, Romain; Barrere, Francois; Benzekri, Abdelmalek

    Authentication mechanism constitutes a central part of the virtual organization work. The PKI technology is used to provide the authentication in each organization involved in the virtual organization. Different trust models are proposed to interconnect the different PKIs in order to propagate the trust between them. While the existing trust models contain many drawbacks, we propose a new trust model based on the reputation of PKIs.

  15. Modelling hot electron generation in short pulse target heating experiments

    Directory of Open Access Journals (Sweden)

    Sircombe N.J.

    2013-11-01

    Full Text Available Target heating experiments planned for the Orion laser facility, and electron beam driven fast ignition schemes, rely on the interaction of a short pulse high intensity laser with dense material to generate a flux of energetic electrons. It is essential that the characteristics of this electron source are well known in order to inform transport models in radiation hydrodynamics codes and allow effective evaluation of experimental results and forward modelling of future campaigns. We present results obtained with the particle in cell (PIC code EPOCH for realistic target and laser parameters, including first and second harmonic light. The hot electron distributions are characterised and their implications for onward transport and target heating are considered with the aid of the Monte-Carlo transport code THOR.

  16. Design of butterfly type organic dye sensitizers with double electron donors: The first principle study

    Science.gov (United States)

    Yang, Zhenqing; Shao, Di; Li, Juan; Tang, Lian; Shao, Changjin

    2018-05-01

    In this work, we designed a series of butterfly type organic dyes, named ME07-ME13 by introducing such as triphenylamine, phenothiazine, coumarin groups etc. as electron donors and further investigated their absorption spectra using density functional theory (DFT) and time-dependent DFT (TDDFT). All designed dyes cover the entire visible absorption spectrum from 300 to 800 nm. It's fascinating that ME13 molecule has two absorption peak and the molar coefficient of two absorption peaks are above 4.645 × 104 M-1·cm-1. The light absorption area of ME13 exhibits an increment of 16.5-19.1% compared to ME07-ME12. Furthermore, we performed a detailed analysis on their geometrical and electronic properties, including molecular structures, energy levels, light harvesting efficiency (LHE), driving force (ΔGinject), regeneration (ΔGregen),electron dipole moments (μnormal), intermolecular electron transfer and dye/(TiO2)38 system electron transitions. The results of calculation reveal that double coumarin donors in ME13 are promising functional groups for butterfly type organic dye sensitizers. It is expected that the design of double donors can provide a new strategy and guidance for the investigation in high efficiency dye-sensitized devices.

  17. Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

    Energy Technology Data Exchange (ETDEWEB)

    Bajaj, Sanyam, E-mail: bajaj.10@osu.edu; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Reza, Shahed; Chumbes, Eduardo M. [Raytheon Integrated Defense Systems, Andover, Massachusetts 01810 (United States); Khurgin, Jacob [Department of Electrical and Computer Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Rajan, Siddharth [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Department of Material Science and Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

    2015-10-12

    We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10{sup 7 }cm/s at a low sheet charge density of 7.8 × 10{sup 11 }cm{sup −2}. An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs.

  18. Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

    International Nuclear Information System (INIS)

    Bajaj, Sanyam; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang; Reza, Shahed; Chumbes, Eduardo M.; Khurgin, Jacob; Rajan, Siddharth

    2015-01-01

    We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10 7  cm/s at a low sheet charge density of 7.8 × 10 11  cm −2 . An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs

  19. Modeling electron fractionalization with unconventional Fock spaces.

    Science.gov (United States)

    Cobanera, Emilio

    2017-08-02

    It is shown that certain fractionally-charged quasiparticles can be modeled on D-dimensional lattices in terms of unconventional yet simple Fock algebras of creation and annihilation operators. These unconventional Fock algebras are derived from the usual fermionic algebra by taking roots (the square root, cubic root, etc) of the usual fermionic creation and annihilation operators. If the fermions carry non-Abelian charges, then this approach fractionalizes the Abelian charges only. In particular, the mth-root of a spinful fermion carries charge e/m and spin 1/2. Just like taking a root of a complex number, taking a root of a fermion yields a mildly non-unique result. As a consequence, there are several possible choices of quantum exchange statistics for fermion-root quasiparticles. These choices are tied to the dimensionality [Formula: see text] of the lattice by basic physical considerations. One particular family of fermion-root quasiparticles is directly connected to the parafermion zero-energy modes expected to emerge in certain mesoscopic devices involving fractional quantum Hall states. Hence, as an application of potential mesoscopic interest, I investigate numerically the hybridization of Majorana and parafermion zero-energy edge modes caused by fractionalizing but charge-conserving tunneling.

  20. Investigation of processes of interaction relativistic electrons with the solutions of organic dyes

    International Nuclear Information System (INIS)

    Buki, A.Yu.; Gokov, S.P.; Kazarinov, Yu.G.; Kalenik, S.A.; Kasilov, V.I.; Kochetov, S.S.; Makhnenko, P.L.; Mel'nitskiy, I.V.; Tverdohvalov, A.V.; Tsyatsko, V.V.; Shopen, O.A.

    2014-01-01

    Investigation of the processes of interaction of ionizing radiation with complex organic objects can solve a number of fundamental and applied problems in radiation physics, chemistry and biology. In this work we investigated the dose dependence (dose range 1...5MRad) optical density relative concentrations of water, alcohol and glycerine solution following organic dyes: methylene blue - C 16 H 18 N 3 SCl and methyl orange - C 14 H 14 N 3 O 3 SNa, irradiated with an electron beam with an energy of 16MeV. In the analysis of absorption spectra, it was found that water solutions of dyes have less resistance to radiation as compared with the alcohol and glycerol. Also, all solutions of methyl orange less radiation resistant than the methylene blue solution. Analysis of the spectra showed that these relationships are close to linear in the range of doses. To understand the physical and chemical processes occurring in the interaction of relativistic electrons with the studied organic objects were performed the computer simulations of the energy spectra of ions formed due to breaking the chemical bonds of molecules of dye solutions using the program SRIM-2010. The analysis showed that radiation - stimulated chemical processes play a major role in the destruction of the source of organic dye molecules. The remaining processes (interaction of electrons and nuclei, the cascade processes) accounts for about 10% of all molecular breaks.

  1. USign--a security enhanced electronic consent model.

    Science.gov (United States)

    Li, Yanyan; Xie, Mengjun; Bian, Jiang

    2014-01-01

    Electronic consent becomes increasingly popular in the healthcare sector given the many benefits it provides. However, security concerns, e.g., how to verify the identity of a person who is remotely accessing the electronic consent system in a secure and user-friendly manner, also arise along with the popularity of electronic consent. Unfortunately, existing electronic consent systems do not pay sufficient attention to those issues. They mainly rely on conventional password based authentication to verify the identity of an electronic consent user, which is far from being sufficient given that identity theft threat is real and significant in reality. In this paper, we present a security enhanced electronic consent model called USign. USign enhances the identity protection and authentication for electronic consent systems by leveraging handwritten signatures everyone is familiar with and mobile computing technologies that are becoming ubiquitous. We developed a prototype of USign and conducted preliminary evaluation on accuracy and usability of signature verification. Our experimental results show the feasibility of the proposed model.

  2. ELECTRONIC CIRCUIT BOARDS NON-UNIFORM COOLING SYSTEM MODEL

    Directory of Open Access Journals (Sweden)

    D. V. Yevdulov

    2016-01-01

    Full Text Available Abstract. The paper considers a mathematical model of non-uniform cooling of electronic circuit boards. The block diagram of the system implementing this approach, the method of calculation of the electronic board temperature field, as well as the principle of its thermal performance optimizing are presented. In the considered scheme the main heat elimination from electronic board is produced by the radiator system, and additional cooling of the most temperature-sensitive components is produced by thermoelectric batteries. Are given the two-dimensional temperature fields of the electronic board during its uniform and non-uniform cooling, is carried out their comparison. As follows from the calculations results, when using a uniform overall cooling of electronic unit there is a waste of energy for the cooling 0f electronic board parts which temperature is within acceptable temperature range without the cooling system. This approach leads to the increase in the cooling capacity of used thermoelectric batteries in comparison with the desired values. This largely reduces the efficiency of heat elimination system. The use for electronic boards cooling of non-uniform local heat elimination removes this disadvantage. The obtained dependences show that in this case, the energy required to create a given temperature is smaller than when using a common uniform cooling. In this approach the temperature field of the electronic board is more uniform and the cooling is more efficient. 

  3. Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

    Science.gov (United States)

    Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

    2014-07-16

    The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Physical packaging and organization of the drift chamber electronics system for the Stanford Large Detector

    International Nuclear Information System (INIS)

    Haller, G.M.; Freytag, M.L.; Mazaheri, G.; Olsen, J.; Paffrath, L.

    1990-10-01

    In this paper the logical organization, physical packaging, and operation of the drift chamber electronics for the SLD at SLAC is described. The system processes signals from approximately 7000 drift wires and is unusual in that most electronic functions are packaged on printed circuit boards within the detector. The circuits reside on signal-processing motherboards, controller boards, signal-transition boards, power-distribution boards, and fiber-optics-to-electrical conversion boards. The interaction and interconnection of these boards with respect to signal and control flow are presented. 11 refs., 7 figs

  5. Amorphous oxide alloys as interfacial layers with broadly tunable electronic structures for organic photovoltaic cells.

    Science.gov (United States)

    Zhou, Nanjia; Kim, Myung-Gil; Loser, Stephen; Smith, Jeremy; Yoshida, Hiroyuki; Guo, Xugang; Song, Charles; Jin, Hosub; Chen, Zhihua; Yoon, Seok Min; Freeman, Arthur J; Chang, Robert P H; Facchetti, Antonio; Marks, Tobin J

    2015-06-30

    In diverse classes of organic optoelectronic devices, controlling charge injection, extraction, and blocking across organic semiconductor-inorganic electrode interfaces is crucial for enhancing quantum efficiency and output voltage. To this end, the strategy of inserting engineered interfacial layers (IFLs) between electrical contacts and organic semiconductors has significantly advanced organic light-emitting diode and organic thin film transistor performance. For organic photovoltaic (OPV) devices, an electronically flexible IFL design strategy to incrementally tune energy level matching between the inorganic electrode system and the organic photoactive components without varying the surface chemistry would permit OPV cells to adapt to ever-changing generations of photoactive materials. Here we report the implementation of chemically/environmentally robust, low-temperature solution-processed amorphous transparent semiconducting oxide alloys, In-Ga-O and Ga-Zn-Sn-O, as IFLs for inverted OPVs. Continuous variation of the IFL compositions tunes the conduction band minima over a broad range, affording optimized OPV power conversion efficiencies for multiple classes of organic active layer materials and establishing clear correlations between IFL/photoactive layer energetics and device performance.

  6. A ballistic transport model for electronic excitation following particle impact

    Science.gov (United States)

    Hanke, S.; Heuser, C.; Weidtmann, B.; Wucher, A.

    2018-01-01

    We present a ballistic model for the transport of electronic excitation energy induced by keV particle bombardment onto a solid surface. Starting from a free electron gas model, the Boltzmann transport equation (BTE) is employed to follow the evolution of the temporal and spatial distribution function f (r → , k → , t) describing the occupation probability of an electronic state k → at position r → and time t. Three different initializations of the distribution function are considered: i) a thermal distribution function with a locally and temporally elevated electron temperature, ii) a peak excitation at a specific energy above the Fermi level with a quasi-isotropic distribution in k-space and iii) an anisotropic peak excitation with k-vectors oriented in a specific transport direction. While the first initialization resembles a distribution function which may, for instance, result from electronic friction of moving atoms within an ion induced collision cascade, the peak excitation can in principle result from an autoionization process after excitation in close binary collisions. By numerically solving the BTE, we study the electronic energy exchange along a one dimensional transport direction to obtain a time and space resolved excitation energy distribution function, which is then analyzed in view of general transport characteristics of the chosen model system.

  7. Electron scattering studies by means of various nuclear models

    International Nuclear Information System (INIS)

    Essaniyazov, Sh.; Juraev, Sh.; Ismatov, E.I.

    2006-01-01

    transition of nucleus into the excited state in the region of the discrete spectrum (ω>0). The study of the scattered electrons energy spectrum directly allows separation of the excited energy levels. The study of the inelastic electrons scattering gives opportunity to establish possible application of various nuclear models. Quasi-elastic scattering. A wide maximum in the energy spectrum of the scattered electrons corresponds to the direct collisions of the electron with particular nucleons in nucleus. (author)

  8. Nanoscale changes in chromatin organization represent the initial steps of tumorigenesis: a transmission electron microscopy study

    International Nuclear Information System (INIS)

    Cherkezyan, Lusik; Backman, Vadim; Stypula-Cyrus, Yolanda; Subramanian, Hariharan; White, Craig; Dela Cruz, Mart; Wali, Ramesh K; Goldberg, Michael J; Bianchi, Laura K; Roy, Hemant K

    2014-01-01

    Nuclear alterations are a well-known manifestation of cancer. However, little is known about the early, microscopically-undetectable stages of malignant transformation. Based on the phenomenon of field cancerization, the tissue in the field of a tumor can be used to identify and study the initiating events of carcinogenesis. Morphological changes in nuclear organization have been implicated in the field of colorectal cancer (CRC), and we hypothesize that characterization of chromatin alterations in the early stages of CRC will provide insight into cancer progression, as well as serve as a biomarker for early detection, risk stratification and prevention. For this study we used transmission electron microscopy (TEM) images of nuclei harboring pre-neoplastic CRC alterations in two models: a carcinogen-treated animal model of early CRC, and microscopically normal-appearing tissue in the field of human CRC. We quantify the chromatin arrangement using approaches with two levels of complexity: 1) binary, where chromatin is separated into areas of dense heterochromatin and loose euchromatin, and 2) grey-scale, where the statistics of continuous mass-density distribution within the nucleus is quantified by its spatial correlation function. We established an increase in heterochromatin content and clump size, as well as a loss of its characteristic peripheral positioning in microscopically normal pre-neoplastic cell nuclei. Additionally, the analysis of chromatin density showed that its spatial distribution is altered from a fractal to a stretched exponential. We characterize quantitatively and qualitatively the nanoscale structural alterations preceding cancer development, which may allow for the establishment of promising new biomarkers for cancer risk stratification and diagnosis. The findings of this study confirm that ultrastructural changes of chromatin in field carcinogenesis represent early neoplastic events leading to the development of well

  9. MODELING OF MANAGEMENT PROCESSES IN AN ORGANIZATION

    Directory of Open Access Journals (Sweden)

    Stefan Iovan

    2016-05-01

    Full Text Available When driving any major change within an organization, strategy and execution are intrinsic to a project’s success. Nevertheless, closing the gap between strategy and execution remains a challenge for many organizations [1]. Companies tend to focus more on execution than strategy for quick results, instead of taking the time needed to understand the parts that make up the whole, so the right execution plan can be put in place to deliver the best outcomes. A large part of this understands that business operations don’t fit neatly within the traditional organizational hierarchy. Business processes are often messy, collaborative efforts that cross teams, departments and systems, making them difficult to manage within a hierarchical structure [2]. Business process management (BPM fills this gap by redefining an organization according to its end-to-end processes, so opportunities for improvement can be identified and processes streamlined for growth, revenue and transformation. This white paper provides guidelines on what to consider when using business process applications to solve your BPM initiatives, and the unique capabilities software systems provides that can help ensure both your project’s success and the success of your organization as a whole. majority of medium and small businesses, big companies and even some guvermental organizations [2].

  10. Probabilistic model for the simulation of secondary electron emission

    Directory of Open Access Journals (Sweden)

    M. A. Furman

    2002-12-01

    Full Text Available We provide a detailed description of a model and its computational algorithm for the secondary electron emission process. The model is based on a broad phenomenological fit to data for the secondary-emission yield and the emitted-energy spectrum. We provide two sets of values for the parameters by fitting our model to two particular data sets, one for copper and the other one for stainless steel.

  11. 25th anniversary article: progress in chemistry and applications of functional indigos for organic electronics.

    Science.gov (United States)

    Głowacki, Eric Daniel; Voss, Gundula; Sariciftci, Niyazi Serdar

    2013-12-17

    Indigo and its derivatives are dyes and pigments with a long and distinguished history in organic chemistry. Recently, applications of this 'old' structure as a functional organic building block for organic electronics applications have renewed interest in these molecules and their remarkable chemical and physical properties. Natural-origin indigos have been processed in fully bio-compatible field effect transistors, operating with ambipolar mobilities up to 0.5 cm(2) /Vs and air-stability. The synthetic derivative isoindigo has emerged as one of the most successful building-blocks for semiconducting polymers for plastic solar cells with efficiencies > 5%. Another isomer of indigo, epindolidione, has also been shown to be one of the best reported organic transistor materials in terms of mobility (∼2 cm(2) /Vs) and stability. This progress report aims to review very recent applications of indigoids in organic electronics, but especially to logically bridge together the hereto independent research directions on indigo, isoindigo, and other materials inspired by historical dye chemistry: a field which was the root of the development of modern chemistry in the first place. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Performance Enhancement of Organic Light-Emitting Diodes Using Electron-Injection Materials of Metal Carbonates

    Science.gov (United States)

    Shin, Jong-Yeol; Kim, Tae Wan; Kim, Gwi-Yeol; Lee, Su-Min; Shrestha, Bhanu; Hong, Jin-Woong

    2016-05-01

    Performance of organic light-emitting diodes was investigated depending on the electron-injection materials of metal carbonates (Li2CO3 and Cs2CO3 ); and number of layers. In order to improve the device efficiency, two types of devices were manufactured by using the hole-injection material (Teflon-amorphous fluoropolymer -AF) and electron-injection materials; one is a two-layer reference device ( ITO/Teflon-AF/Alq3/Al ) and the other is a three-layer device (ITO/Teflon-AF/Alq3/metal carbonate/Al). From the results of the efficiency for the devices with hole-injection layer and electron-injection layer, it was found that the electron-injection layer affects the electrical properties of the device more than the hole-injection layer. The external-quantum efficiency for the three-layer device with Li2CO3 and Cs2CO3 layer is improved by approximately six and eight times, respectively, compared with that of the two-layer reference device. It is thought that a use of electron-injection layer increases recombination rate of charge carriers by the active injection of electrons and the blocking of holes.

  13. Electronic and magnetic properties of organic conductors (DMET)2MBr4 (M=Fe, Ga)

    International Nuclear Information System (INIS)

    Enomoto, Kengo; Miyazaki, Akira; Enoki, Toshiaki; Yamaura, Jun-ichi

    2003-01-01

    (DMET) 2 MBr 4 (M=Fe, Ga) are isostructural organic conductors whose crystal structure consists of an alternate stacking of quasi one-dimensional chain-based donor layers and anion square lattices. The resistivity, ESR, magnetic susceptibility, magnetization, and magnetoresistance of these salts were investigated in order to clarify the correlation between the electronic structure and the magnetism. The electronic structures of both salts are metallic down to T MI - 40 K, below which a Mott insulating state is stabilized, accompanied by an SDW transition at T SDW - 25 K. The FeBr 4 salt with Fe 3+ (S=5/2) localized spins undergoes an antiferromagnetic transition at T N = 3.7 K. In the FeBr 4 salt, the magnetization curves, which show field-direction-dependent anomalies in addition to a spin-flop transition, are demonstrated to have a participation of donor π-electron spins in the magnetization processes. The field dependence of the magnetoresistances below T N tracks faithfully that of the magnetization, where the donor π-electrons and Fe 3+ d-electrons are responsible for the former and the latter, respectively. This clearly demonstrates the presence of the π-d interaction that plays an important role in the interplay between electron transport and magnetism. (author)

  14. Electronic and geometric structure of electro-optically active organic films and associated interfaces

    International Nuclear Information System (INIS)

    Ivanco, J.; Haber, T.; Resel, R.; Netzer, F.P.; Ramsey, M.G.

    2006-01-01

    The electronic and structural properties of sexiphenyl and sexithiophene films grown under ultra-high vacuum conditions on a variety of well-controlled substrate surfaces have been examined. We show that, in contradiction with the general notion, the ionisation potential of the organic films is not a material constant. Considering the variable ionisation potential, the validity of the Schottky-Mott relationship, which expresses a dependence of the band alignment on the substrate work function, is analysed. We also briefly discuss the relevance of the built-in potential behaviour in organic films for the band-bending concept

  15. Electron-selective contacts via ultra-thin organic interface dipoles for silicon organic heterojunction solar cells

    Science.gov (United States)

    Reichel, Christian; Würfel, Uli; Winkler, Kristina; Schleiermacher, Hans-Frieder; Kohlstädt, Markus; Unmüssig, Moritz; Messmer, Christoph A.; Hermle, Martin; Glunz, Stefan W.

    2018-01-01

    In the last years, novel materials for the formation of electron-selective contacts on n-type crystalline silicon (c-Si) heterojunction solar cells were explored as an interfacial layer between the metal electrode and the c-Si wafer. Besides inorganic materials like transition metal oxides or alkali metal fluorides, also interfacial layers based on organic molecules with a permanent dipole moment are promising candidates to improve the contact properties. Here, the dipole effect plays an essential role in the modification of the interface and effective work function of the contact. The amino acids L-histidine, L-tryptophan, L-phenylalanine, glycine, and sarcosine, the nucleobase adenine, and the heterocycle 4-hydroxypyridine were investigated as dipole materials for an electron-selective contact on the back of p- and n-type c-Si with a metal electrode based on aluminum (Al). Furthermore, the effect of an added fluorosurfactant on the resulting contact properties was examined. The performance of n-type c-Si solar cells with a boron diffusion on the front was significantly increased when L-histidine and/or the fluorosurfactant was applied as a full-area back surface field. This improvement was attributed to the modification of the interface and the effective work function of the contact by the dipole material which was corroborated by numerical device simulations. For these solar cells, conversion efficiencies of 17.5% were obtained with open-circuit voltages (Voc) of 625 mV and fill factors of 76.3%, showing the potential of organic interface dipoles for silicon organic heterojunction solar cells due to their simple formation by solution processing and their low thermal budget requirements.

  16. Self-Organizing Map Models of Language Acquisition

    Directory of Open Access Journals (Sweden)

    Ping eLi

    2013-11-01

    Full Text Available Connectionist models have had a profound impact on theories of language. While most early models were inspired by the classic PDP architecture, recent models of language have explored various other types of models, including self-organizing models for language acquisition. In this paper we aim at providing a review of the latter type of models, and highlight a number of simulation experiments that we have conducted based on these models. We show that self-organizing connectionist models can provide significant insights into long-standing debates in both monolingual and bilingual language development.

  17. Measurement of laser activated electron tunneling from semiconductor zinc oxide to adsorbed organic molecules by a matrix assisted laser desorption ionization mass spectrometer

    International Nuclear Information System (INIS)

    Zhong Hongying; Fu Jieying; Wang Xiaoli; Zheng Shi

    2012-01-01

    Highlights: ► Irradiation of photons with energies more than the band gap generates electron–hole pairs. ► Electron tunneling probability is dependent on the electron mobility. ► Tunneling electrons are captured by charge deficient atoms. ► Unpaired electrons induce cleavages of chemical bonds. - Abstract: Measurement of light induced heterogeneous electron transfer is important for understanding of fundamental processes involved in chemistry, physics and biology, which is still challenging by current techniques. Laser activated electron tunneling (LAET) from semiconductor metal oxides was observed and characterized by a MALDI (matrix assisted laser desorption ionization) mass spectrometer in this work. Nanoparticles of ZnO were placed on a MALDI sample plate. Free fatty acids and derivatives were used as models of organic compounds and directly deposited on the surface of ZnO nanoparticles. Irradiation of UV laser (λ = 355 nm) with energy more than the band gap of ZnO produces ions that can be detected in negative mode. When TiO 2 nanoparticles with similar band gap but much lower electron mobility were used, these ions were not observed unless the voltage on the sample plate was increased. The experimental results indicate that laser induced electron tunneling is dependent on the electron mobility and the strength of the electric field. Capture of low energy electrons by charge-deficient atoms of adsorbed organic molecules causes unpaired electron-directed cleavages of chemical bonds in a nonergodic pathway. In positive detection mode, electron tunneling cannot be observed due to the reverse moving direction of electrons. It should be able to expect that laser desorption ionization mass spectrometry is a new technique capable of probing the dynamics of electron tunneling. LAET offers advantages as a new ionization dissociation method for mass spectrometry.

  18. Scalable printed electronics: an organic decoder addressing ferroelectric non-volatile memory

    Science.gov (United States)

    Ng, Tse Nga; Schwartz, David E.; Lavery, Leah L.; Whiting, Gregory L.; Russo, Beverly; Krusor, Brent; Veres, Janos; Bröms, Per; Herlogsson, Lars; Alam, Naveed; Hagel, Olle; Nilsson, Jakob; Karlsson, Christer

    2012-01-01

    Scalable circuits of organic logic and memory are realized using all-additive printing processes. A 3-bit organic complementary decoder is fabricated and used to read and write non-volatile, rewritable ferroelectric memory. The decoder-memory array is patterned by inkjet and gravure printing on flexible plastics. Simulation models for the organic transistors are developed, enabling circuit designs tolerant of the variations in printed devices. We explain the key design rules in fabrication of complex printed circuits and elucidate the performance requirements of materials and devices for reliable organic digital logic. PMID:22900143

  19. Electric properties of organic and mineral electronic components, design and modelling of a photovoltaic chain for a better exploitation of the solar energy; Proprietes electriques des composants electroniques mineraux et organiques, conception et modelisation d'une chaine photovoltaique pour une meilleure exploitation de l'energie solaire

    Energy Technology Data Exchange (ETDEWEB)

    Aziz, A

    2006-11-15

    The research carried out in this thesis relates to the mineral, organic electronic components and the photovoltaic systems. Concerning the mineral semiconductors, we modelled the conduction properties of the structures metal/oxide/semiconductor (MOS) strongly integrated in absence and in the presence of charges. We proposed a methodology allowing characterizing the ageing of structures MOS under injection of the Fowler Nordheim (FN) current type. Then, we studied the Schottky diodes in polymers of type metal/polymer/metal. We concluded that: The mechanism of the charges transfer, through the interface metal/polymer, is allotted to the thermo-ionic effect and could be affected by the lowering of the potential barrier to the interface metal/polymer. In the area of photovoltaic energy, we conceived and modelled a photovoltaic system of average power (100 W). We showed that the adaptation of the generator to the load allows a better exploitation of solar energy. This is carried out by the means of the converters controlled by an of type MPPT control provided with a detection circuit of dysfunction and restarting of the system. (author)

  20. Electric properties of organic and mineral electronic components, design and modelling of a photovoltaic chain for a better exploitation of the solar energy; Proprietes electriques des composants electroniques mineraux et organiques, conception et modelisation d'une chaine photovoltaique pour une meilleure exploitation de l'energie solaire

    Energy Technology Data Exchange (ETDEWEB)

    Aziz, A

    2006-11-15

    The research carried out in this thesis relates to the mineral, organic electronic components and the photovoltaic systems. Concerning the mineral semiconductors, we modelled the conduction properties of the structures metal/oxide/semiconductor (MOS) strongly integrated in absence and in the presence of charges. We proposed a methodology allowing characterizing the ageing of structures MOS under injection of the Fowler Nordheim (FN) current type. Then, we studied the Schottky diodes in polymers of type metal/polymer/metal. We concluded that: The mechanism of the charges transfer, through the interface metal/polymer, is allotted to the thermo-ionic effect and could be affected by the lowering of the potential barrier to the interface metal/polymer. In the area of photovoltaic energy, we conceived and modelled a photovoltaic system of average power (100 W). We showed that the adaptation of the generator to the load allows a better exploitation of solar energy. This is carried out by the means of the converters controlled by an of type MPPT control provided with a detection circuit of dysfunction and restarting of the system. (author)

  1. Inorganic-organic hybrid polymer for preparation of affiliating material using electron beam irradiation

    International Nuclear Information System (INIS)

    Chung, Jaeseung; Kim, Seongeun; Kim, Byounggak; Lee, Jongchan; Park, Jihyun; Lee, Byeongcheol

    2011-01-01

    Recently, silver nano materials have gained a lot of attentions in a variety of applications due to the unique biological, optical, and electrical properties. Especially, the antifouling property of these material is considered to be an important character for biomedical field, marine coatings industry, biosensor, and drug delivery. In this study, we design and synthesize the inorganic-organic hybrid polymer for preparation of affiliating materials. Silver nano materials having antifouling property with different shapes are prepared by control the electron beam irradiation conditions. Inorganic-organic hybrid polymer was synthesized and characterized. → Morphology and size controlled nano materials are prepared using electron beam irradiation. → Silver nano materials having various shapes can be used for antifouling material

  2. ZZ DOSDAT-2, Gamma and Electron Dose Conversion Factor Data Library for Body Organs

    International Nuclear Information System (INIS)

    1983-01-01

    1 - Description of problem or function: Format: DOSDAT-R; Nuclides: gamma-ray and electron dose rates for whole-body and for various body organs (24) for air and water immersion and from ground-surface sources (approximately 500 radioactive nuclides). Origin: DLC-80/DRALIST library of radioactive decay data. The data are used to estimate the gamma-ray and electron dose rates for whole-body and for various body organs (24) for air and water immersion and from ground-surface sources. The data are given for approximately 500 radioactive nuclides. 2 - Method of solution: The data were computed by the CCC-400 DOSAFACTER II code from the DLC-80/DRALIST library of radioactive decay data for approximately 500 nuclides

  3. Electronic sputtering of large organic molecules and its application in bio molecular mass spectrometry

    International Nuclear Information System (INIS)

    Sundqvist, B.U.R.

    1992-01-01

    This is a review of research which has its origin in the discovery of Plasma Desorption Mass Spectrometry (PDMS). Two main fields of research have developed, namely fundamental studies of the ejection process at fast ion impact and studies of applications of the new mass spectrometric technique. In this review the emphasis will be on the process of electronic sputtering of organic solids but also applications of this process in bio molecular mass spectrometry will be discussed. (author)

  4. New insights into the structural organization of eukaryotic and prokaryotic cytoskeletons using cryo-electron tomography

    International Nuclear Information System (INIS)

    Kuerner, Julia; Medalia, Ohad; Linaroudis, Alexandros A.; Baumeister, Wolfgang

    2004-01-01

    Cryo-electron tomography (cryo-ET) is an emerging imaging technology that combines the potential of three-dimensional (3-D) imaging at molecular resolution (<5 nm) with a close-to-life preservation of the specimen. In conjunction with pattern recognition techniques, it enables us to map the molecular landscape inside cells. The application of cryo-ET to intact cells provides novel insights into the structure and the spatial organization of the cytoskeleton in prokaryotic and eukaryotic cells

  5. Modeling and Verification of Dependable Electronic Power System Architecture

    Science.gov (United States)

    Yuan, Ling; Fan, Ping; Zhang, Xiao-fang

    The electronic power system can be viewed as a system composed of a set of concurrently interacting subsystems to generate, transmit, and distribute electric power. The complex interaction among sub-systems makes the design of electronic power system complicated. Furthermore, in order to guarantee the safe generation and distribution of electronic power, the fault tolerant mechanisms are incorporated in the system design to satisfy high reliability requirements. As a result, the incorporation makes the design of such system more complicated. We propose a dependable electronic power system architecture, which can provide a generic framework to guide the development of electronic power system to ease the development complexity. In order to provide common idioms and patterns to the system *designers, we formally model the electronic power system architecture by using the PVS formal language. Based on the PVS model of this system architecture, we formally verify the fault tolerant properties of the system architecture by using the PVS theorem prover, which can guarantee that the system architecture can satisfy high reliability requirements.

  6. Effects of graphene defect on electronic structures of its interface with organic semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Qing-Dan; Wang, Chundong; Mo, Hin-Wai; Lo, Ming-Fai; Yuen, Muk Fung; Ng, Tsz-Wai, E-mail: tszwaing@cityu.edu.hk, E-mail: apcslee@cityu.edu.hk; Zhang, Wen-Jun; Lee, Chun-Sing, E-mail: tszwaing@cityu.edu.hk, E-mail: apcslee@cityu.edu.hk [Department of Physics and Materials Science, Center of Super-Diamond and Advanced Films (COSDAF), City University of Hong Kong (Hong Kong); Dou, Wei-Dong [Department of Physics and Materials Science, Center of Super-Diamond and Advanced Films (COSDAF), City University of Hong Kong (Hong Kong); Physics Department, Shaoxing University, Shaoxing 312000 (China); Tsang, Sai-Wing [Department of Physics and Materials Science, City University of Hong Kong (Hong Kong)

    2015-03-30

    Electronic structures of copper hexadecafluorophthalocyanine (F{sub 16}CuPc)/graphene with different defect density were studied with ultra-violet photoelectron spectroscopy. We showed that the charge transfer interaction and charge flow direction can be interestingly tuned by controlling the defect density of graphene through time-controlled H{sub 2} plasma treatment. By increasing the treatment time of H{sub 2} plasma from 30 s to 5 min, both the interface surface dipole and the electron transporting barrier at F{sub 16}CuPc/graphene interface are significantly reduced from 0.86 to 0.56 eV and 0.71 to 0.29 eV, respectively. These results suggested that graphene's defect control is a simple approach for tuning electronic properties of organic/graphene interfaces.

  7. Approaching an organic semimetal: Electron pockets at the Fermi level for a p-benzoquinonemonoimine zwitterion

    Energy Technology Data Exchange (ETDEWEB)

    Rosa, Luis G.; Velev, Julian [Department of Physics and Electronics, University of Puerto Rico, Humacao (United States); Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States); Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, NE (United States); Zhang, Zhengzheng [Department of Physics, University of Puerto Rico, Rio Piedras, San Juan (United States); Alvira, Jose; Vega, Omar; Diaz, Gerson [Department of Physics and Electronics, University of Puerto Rico, Humacao (United States); Routaboul, Lucie; Braunstein, Pierre [Laboratoire de Chimie de Coordination, Institut de Chimie (UMR 7177 CNRS), Universite de Strasbourg (France); Doudin, Bernard [Institut de Physique, Applique de Physique et Chimie des Materiaux de Strasbourg, Universite Louis Pasteur Strasbourg (France); Losovyj, Yaroslav B. [Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States); J. Bennett Johnston Sr. Center for Advanced Microstructures and Devices, Louisiana State Univ., Baton Rouge, LA (United States); Dowben, Peter A. [Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States)

    2012-08-15

    There is compelling evidence of electron pockets, at the Fermi level, in the band structure for an organic zwitterion molecule of the p-benzoquinonemonoimine type. The electronic structure of the zwitterion molecular film has a definite, although small, density of states evident at the Fermi level as well as a nonzero inner potential and thus is very different from a true insulator. In spite of a small Brillouin zone, significant band width is observed in the intermolecular band dispersion. The results demonstrate that Bloch's theorem applies to the wave vector dependence of the electronic band structure formed from the molecular orbitals of adjacent molecules in a molecular thin film of a p-benzoquinonemonoimine type zwitterion. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Fundamental models of electronic transport in amorphous semiconductors

    International Nuclear Information System (INIS)

    Emin, D.

    1982-01-01

    Significant fundamental questions lie at the heart of our understanding of the electronic and optical properties of semiconducting and insulating glasses. In this article the principal features of the Mott-CFO model and the small-polaron model are described. While the Mott-CFO model seems to apply to the high-mobility electron transport in glassy SiO 2 and Cd 2 As 3 it does not appear applicable to the most frequently studied chalocogenide glasses. Furthermore, the Mott-CFO model does not account for as basic a feature as the sign of the Hall effect. On the other hand, the small-polaron model accounts for the observed d.c. conductivity, Peltier heat and Hall mobility in a very simple and direct manner

  9. Analytical Model for Voltage-Dependent Photo and Dark Currents in Bulk Heterojunction Organic Solar Cells

    Directory of Open Access Journals (Sweden)

    Mesbahus Saleheen

    2016-05-01

    Full Text Available A physics-based explicit mathematical model for the external voltage-dependent forward dark current in bulk heterojunction (BHJ organic solar cells is developed by considering Shockley-Read-Hall (SRH recombination and solving the continuity equations for both electrons and holes. An analytical model for the external voltage-dependent photocurrent in BHJ organic solar cells is also proposed by incorporating exponential photon absorption, dissociation efficiency of bound electron-hole pairs (EHPs, carrier trapping, and carrier drift and diffusion in the photon absorption layer. Modified Braun’s model is used to compute the electric field-dependent dissociation efficiency of the bound EHPs. The overall net current is calculated considering the actual solar spectrum. The mathematical models are verified by comparing the model calculations with various published experimental results. We analyze the effects of the contact properties, blend compositions, charge carrier transport properties (carrier mobility and lifetime, and cell design on the current-voltage characteristics. The power conversion efficiency of BHJ organic solar cells mostly depends on electron transport properties of the acceptor layer. The results of this paper indicate that improvement of charge carrier transport (both mobility and lifetime and dissociation of bound EHPs in organic blend are critically important to increase the power conversion efficiency of the BHJ solar cells.

  10. Extracting Information about the Electronic Quality of Organic Solar-Cell Absorbers from Fill Factor and Thickness

    Science.gov (United States)

    Kaienburg, Pascal; Rau, Uwe; Kirchartz, Thomas

    2016-08-01

    Understanding the fill factor in organic solar cells remains challenging due to its complex dependence on a multitude of parameters. By means of drift-diffusion simulations, we thoroughly analyze the fill factor of such low-mobility systems and demonstrate its dependence on a collection coefficient defined in this work. We systematically discuss the effect of different recombination mechanisms, space-charge regions, and contact properties. Based on these findings, we are able to interpret the thickness dependence of the fill factor for different experimental studies from the literature. The presented model provides a facile method to extract the photoactive layer's electronic quality which is of particular importance for the fill factor. We illustrate that over the past 15 years, the electronic quality has not been continuously improved, although organic solar-cell efficiencies increased steadily over the same period of time. Only recent reports show the synthesis of polymers for semiconducting films of high electronic quality that are able to produce new efficiency records.

  11. 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.)

  12. Electronic charge rearrangement at metal/organic interfaces induced by weak van der Waals interactions

    Science.gov (United States)

    Ferri, Nicola; Ambrosetti, Alberto; Tkatchenko, Alexandre

    2017-07-01

    Electronic charge rearrangements at interfaces between organic molecules and solid surfaces play a key role in a wide range of applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. It is common to utilize electrostatics and Pauli pushback to control the interface electronic properties, while the ubiquitous van der Waals (vdW) interactions are often considered to have a negligible direct contribution (beyond the obvious structural relaxation). Here, we apply a fully self-consistent Tkatchenko-Scheffler vdW density functional to demonstrate that the weak vdW interactions can induce sizable charge rearrangements at hybrid metal/organic systems (HMOS). The complex vdW correlation potential smears out the interfacial electronic density, thereby reducing the charge transfer in HMOS, changes the interface work functions by up to 0.2 eV, and increases the interface dipole moment by up to 0.3 Debye. Our results suggest that vdW interactions should be considered as an additional control parameter in the design of hybrid interfaces with the desired electronic properties.

  13. Unravelling surface and interfacial structures of a metal-organic framework by transmission electron microscopy.

    Science.gov (United States)

    Zhu, Yihan; Ciston, Jim; Zheng, Bin; Miao, Xiaohe; Czarnik, Cory; Pan, Yichang; Sougrat, Rachid; Lai, Zhiping; Hsiung, Chia-En; Yao, Kexin; Pinnau, Ingo; Pan, Ming; Han, Yu

    2017-05-01

    Metal-organic frameworks (MOFs) are crystalline porous materials with designable topology, porosity and functionality, having promising applications in gas storage and separation, ion conduction and catalysis. It is challenging to observe MOFs with transmission electron microscopy (TEM) due to the extreme instability of MOFs upon electron beam irradiation. Here, we use a direct-detection electron-counting camera to acquire TEM images of the MOF ZIF-8 with an ultralow dose of 4.1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM reveals important local structural features of ZIF-8 crystals that cannot be identified by diffraction techniques, including armchair-type surface terminations and coherent interfaces between assembled crystals. These observations allow us to understand how ZIF-8 crystals self-assemble and the subsequent influence of interfacial cavities on mass transport of guest molecules.

  14. Unravelling surface and interfacial structures of a metal–organic framework by transmission electron microscopy

    KAUST Repository

    Zhu, Yihan

    2017-02-21

    Metal–organic frameworks (MOFs) are crystalline porous materials with designable topology, porosity and functionality, having promising applications in gas storage and separation, ion conduction and catalysis1, 2, 3. It is challenging to observe MOFs with transmission electron microscopy (TEM) due to the extreme instability of MOFs upon electron beam irradiation4, 5, 6, 7. Here, we use a direct-detection electron-counting camera to acquire TEM images of the MOF ZIF-8 with an ultralow dose of 4.1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM reveals important local structural features of ZIF-8 crystals that cannot be identified by diffraction techniques, including armchair-type surface terminations and coherent interfaces between assembled crystals. These observations allow us to understand how ZIF-8 crystals self-assemble and the subsequent influence of interfacial cavities on mass transport of guest molecules.

  15. Modeling the electron-proton telescope on Solar Orbiter

    Energy Technology Data Exchange (ETDEWEB)

    Boden, Sebastian; Steinhagen, Jan; Kulkarni, S.R.; Tammen, Jan; Elftmann, Robert; Martin, Cesar; Ravanbakhsh, Ali; Boettcher, Stephan; Seimetz, Lars; Wimmer-Schweingruber, Robert F. [Christian-Albrechts-Universitaet, Kiel (Germany)

    2014-07-01

    The Electron Proton Telescope (EPT) is one of four sensors in the Energetic Particle Detector suite for Solar Orbiter. It investigates low energy electrons and protons of solar events in an energy range from 20 - 400 keV for electrons and 20 keV - 7 MeV for protons. It distinguishes electrons from protons using a magnet/foil technique with silicon detectors. There will be two EPT units, each with double-barreled telescopes, one looking sunwards/antisunwards and the other north/south. We set up a Monte Carlo model of EPT using the GEANT4 framework, which we can use to simulate interactions of energetic particles in the sensor. Here we present simulation results of the energy coverage for different ion species, and we study how it is possible to distinguish between them.

  16. Status of the Galileo interim radiation electron model

    Science.gov (United States)

    Garrett, H. B.; Jun, I.; Ratliff, J. M.; Evans, R. W.; Clough, G. A.; McEntire, R. W.

    2003-04-01

    Measurements of the high energy, omni-directional electron environment by the Galileo spacecraft Energetic Particle Detector (EPD) were used to develop a new model of Jupiter's trapped electron radiation in the jovian equatorial plane for the range 8 to 16 Jupiter radii (1 jovian radius = 71,400 km). 10-minute averages of these data formed an extensive database of observations of the jovian radiation belts between Jupiter orbit insertion (JOI) in 1995 and 2002. These data were then averaged to provide a differential flux spectrum at 0.174, 0.304, 0.527, 1.5, 2.0, 11.0, and 31 MeV in the jovian equatorial plane as a function of radial distance. This omni-directional, equatorial model was combined with the original Divine model of jovian electron radiation to yield estimates of the out-of-plane radiation environment. That model, referred to here as the Galileo Interim Radiation Electron (or GIRE) model, was then used to calculate the Europa mission dose for an average and a 1-sigma worst-case situation. The prediction of the GIRE model is about a factor of 2 lower than the Divine model estimate over the range of 100 to 1000 mils (2.54 to 25.4 mm) of aluminum shielding, but exceeds the Divine model by about 50% for thicker shielding. The model, the steps leading to its creation, and relevant issues and concerns are discussed. While work remains to be done, the GIRE model clearly represents a significant step forward in the study of the jovian radiation environment, and it is a useful and valuable tool for estimating that environment for future space missions.

  17. The initiative on Model Organism Proteomes (iMOP) Session

    DEFF Research Database (Denmark)

    Schrimpf, Sabine P; Mering, Christian von; Bendixen, Emøke

    2012-01-01

    iMOP – the Initiative on Model Organism Proteomes – was accepted as a new HUPO initiative at the Ninth HUPO meeting in Sydney in 2010. A goal of iMOP is to integrate research groups working on a great diversity of species into a model organism community. At the Tenth HUPO meeting in Geneva...

  18. Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Madronich, Sasha [Univ. Corporation for Atmospheric Research, Boulder, CO (United States)

    2015-12-09

    The atmospheric burden of Secondary Organic Aerosols (SOA) remains one of the most important yet uncertain aspects of the radiative forcing of climate. This grant focused on improving our quantitative understanding of SOA formation and evolution, by developing, applying, and improving a highly detailed model of atmospheric organic chemistry, the Generation of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) model. Eleven (11) publications have resulted from this grant.

  19. Electron beam and mechanical lithographies as enabling factors for organic-based device fabrication

    International Nuclear Information System (INIS)

    Visconti, P.; Pisignano, D.; Della Torre, A.; Persano, L.; Maruccio, G.; Biasco, A.; Cingolani, R.; Rinaldi, R.

    2005-01-01

    Organic-based photonics and molecular electronics are attracting an increasing interest in modern science. The realization of high-resolution master structures by electron beam lithography (EBL) and their transfer to different organic functional materials by mechanical lithographies allow to fully exploit the wide flexibility of molecular systems for opto- and nanoelectronic devices. Planar nanojunctions, consisting of two metallic electrodes separated by an insulating medium, permit to test the molecular conduction properties. Since the typical size of a biomolecule is of the order of a few nanometer, hybrid molecular electronic (HME) devices need metallic electrodes separated by a nanometer-scale channel. Conversely, photonic applications often require 100 nm to 1 μm features on large areas. In this work, we report on the fabrication of both large-area periodic master structures with resolution down to 200 nm, and planar metallic electrodes with sub-10 nm separation obtained by EBL followed by metal electroplating deposition. The fabricated 3-terminal bio-nanodevices show a transistor-like behaviour with a maximum voltage gain of 0.76. Moreover, we developed a number of mechanical patterning methods, including soft hot embossing, rapid prototyping, sub-micrometer fluidics, high- and room-temperature nanoimprinting, to fabricate planar nanostructures on both biomolecular and organic materials. These allowed us a high-fidelity pattern transfer up to 100-nm scale resolution, without reducing the emission yields of light-emitting organics, thus opening the way to the one-step realization of organic-based confined optoelectronic devices

  20. The Chemical Modeling of Electronic Materials and Interconnections

    Science.gov (United States)

    Kivilahti, J. K.

    2002-12-01

    Thermodynamic and kinetic modeling, together with careful experimental work, is of great help for developing new electronic materials such as lead-free solders, their compatible metallizations and diffusion-barrier layers, as well as joining and bonding processes for advanced electronics manufacturing. When combined, these modeling techniques lead to a rationalization of the trial-and-error methods employed in the electronics industry, limiting experimentation and, thus, reducing significantly time-to-market of new products. This modeling provides useful information on the stabilities of phases (microstructures), driving forces for chemical reactions, and growth rates of reaction products occurring in interconnections or thin-film structures during processing, testing, and in longterm use of electronic devices. This is especially important when manufacturing advanced lead-free electronics where solder joint volumes are decreasing while the number of dissimilar reactive materials is increasing markedly. Therefore, a new concept of local nominal composition was introduced and applied together with the relevant ternary and multicomponent phase diagrams to some solder/conductor systems.

  1. Kinetic modelling of runaway electron avalanches in tokamak plasmas

    International Nuclear Information System (INIS)

    Nilsson, E; Peysson, Y; Saint-Laurent, F; Decker, J; Granetz, R S; Vlainic, M

    2015-01-01

    Runaway electrons can be generated in tokamak plasmas if the accelerating force from the toroidal electric field exceeds the collisional drag force owing to Coulomb collisions with the background plasma. In ITER, disruptions are expected to generate runaway electrons mainly through knock-on collisions (Hender et al 2007 Nucl. Fusion 47 S128–202), where enough momentum can be transferred from existing runaways to slow electrons to transport the latter beyond a critical momentum, setting off an avalanche of runaway electrons. Since knock-on runaways are usually scattered off with a significant perpendicular component of the momentum with respect to the local magnetic field direction, these particles are highly magnetized. Consequently, the momentum dynamics require a full 3D kinetic description, since these electrons are highly sensitive to the magnetic non-uniformity of a toroidal configuration. For this purpose, a bounce-averaged knock-on source term is derived. The generation of runaway electrons from the combined effect of Dreicer mechanism and knock-on collision process is studied with the code LUKE, a solver of the 3D linearized bounce-averaged relativistic electron Fokker–Planck equation (Decker and Peysson 2004 DKE: a fast numerical solver for the 3D drift kinetic equation Report EUR-CEA-FC-1736, Euratom-CEA), through the calculation of the response of the electron distribution function to a constant parallel electric field. The model, which has been successfully benchmarked against the standard Dreicer runaway theory now describes the runaway generation by knock-on collisions as proposed by Rosenbluth (Rosenbluth and Putvinski 1997 Nucl. Fusion 37 1355–62). This paper shows that the avalanche effect can be important even in non-disruptive scenarios. Runaway formation through knock-on collisions is found to be strongly reduced when taking place off the magnetic axis, since trapped electrons can not contribute to the runaway electron population. Finally

  2. Electron inertia effects for an electron fluid model by the applied-B ion diode

    Energy Technology Data Exchange (ETDEWEB)

    Gordeev, A V; Levchenko, S V [Kurchatov Institute, Moscow (Russian Federation). Nuclear Fusion Institute

    1997-12-31

    Numerical calculations within the framework of the one-dimensional vortex-like electron fluid model in applied-B ion diodes, taking account the electron inertia effects, are presented. The existence of the additional relation between the magnetic field and the electric potential offers an opportunity to reduce the ion diode problem to the system of the algebraic equations for the constants introduced. The ion current density in an ion diode is determined only by the magnetic flux cut out by the virtual cathode. As an illustration, the ion diode impedance for the KALIF device was calculated. (author). 2 figs., 6 refs.

  3. Test particle modeling of wave-induced energetic electron precipitation

    International Nuclear Information System (INIS)

    Chang, H.C.; Inan, U.S.

    1985-01-01

    A test particle computer model of the precipitation of radiation belt electrons is extended to compute the dynamic energy spectrum of transient electron fluxes induced by short-duration VLF wave packets traveling along the geomagnetic field lines. The model is adapted to estimate the count rate and associated spectrum of precipitated electrons that would be observed by satellite-based particle detectors with given geometric factor and orientation with respect to the magnetic field. A constant-frequency wave pulse and a lightning-induced whistler wave packet are used as examples of the stimulating wave signals. The effects of asymmetry of particle mirror heights in the two hemispheres and the atmospheric backscatter of loss cone particles on the computed precipitated fluxes are discussed

  4. Boosting lithium storage in covalent organic framework via activation of 14-electron redox chemistry.

    Science.gov (United States)

    Lei, Zhendong; Yang, Qinsi; Xu, Yi; Guo, Siyu; Sun, Weiwei; Liu, Hao; Lv, Li-Ping; Zhang, Yong; Wang, Yong

    2018-02-08

    Conjugated polymeric molecules have been heralded as promising electrode materials for the next-generation energy-storage technologies owing to their chemical flexibility at the molecular level, environmental benefit, and cost advantage. However, before any practical implementation takes place, the low capacity, poor structural stability, and sluggish ion/electron diffusion kinetics remain the obstacles that have to be overcome. Here, we report the synthesis of a few-layered two-dimensional covalent organic framework trapped by carbon nanotubes as the anode of lithium-ion batteries. Remarkably, upon activation, this organic electrode delivers a large reversible capacity of 1536 mAh g -1 and can sustain 500 cycles at 100 mA g -1 . Aided by theoretical calculations and electrochemical probing of the electrochemical behavior at different stages of cycling, the storage mechanism is revealed to be governed by 14-electron redox chemistry for a covalent organic framework monomer with one lithium ion per C=N group and six lithium ions per benzene ring. This work may pave the way to the development of high-capacity electrodes for organic rechargeable batteries.

  5. 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.

  6. Influence of chemical and structural evolution of dissolved organic matter on electron transfer capacity during composting

    International Nuclear Information System (INIS)

    He, Xiao-Song; Xi, Bei-Dou; Cui, Dong-Yu; Liu, Yong; Tan, Wen-Bin; Pan, Hong-Wei; Li, Dan

    2014-01-01

    Highlights: • Electron transfer capability (ETC) of compost-derived DOM was investigated. • Composting treatment increased the ETC of DOM from municipal solid wastes. • The ETC increase related to humic matter, and molecule weight, and N and S content. - Abstract: Dissolved organic matter (DOM) can mediate electron transfer and change chemical speciation of heavy metals. In this study, the electron transfer capability (ETC) of compost-derived DOM was investigated through electrochemical approaches, and the factors influencing the ETC were studied using spectral and elemental analysis. The results showed that the electron accepting capacity (EAC) and electron donating capacity (EDC) of compost-derived DOM were 3.29–40.14 μmol e− (g C) −1 and 57.1– 346.07 μmol e− (g C) −1 , respectively. Composting treatment increased the fulvic- and humic-like substance content, oxygenated aliphatic carbon content, lignin-derived aromatic carbon content, molecule weight, and N and S content of DOM, but decreased the aliphatic carbon content and the C and H content. This conversion increased the EDC and EAC of the DOM during composting

  7. Influence of chemical and structural evolution of dissolved organic matter on electron transfer capacity during composting

    Energy Technology Data Exchange (ETDEWEB)

    He, Xiao-Song [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Xi, Bei-Dou, E-mail: hexs82@126.com [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Cui, Dong-Yu [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Liu, Yong [Guangdong Key Laboratory of Agro-Environmental Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650 (China); Tan, Wen-Bin; Pan, Hong-Wei; Li, Dan [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China)

    2014-03-01

    Highlights: • Electron transfer capability (ETC) of compost-derived DOM was investigated. • Composting treatment increased the ETC of DOM from municipal solid wastes. • The ETC increase related to humic matter, and molecule weight, and N and S content. - Abstract: Dissolved organic matter (DOM) can mediate electron transfer and change chemical speciation of heavy metals. In this study, the electron transfer capability (ETC) of compost-derived DOM was investigated through electrochemical approaches, and the factors influencing the ETC were studied using spectral and elemental analysis. The results showed that the electron accepting capacity (EAC) and electron donating capacity (EDC) of compost-derived DOM were 3.29–40.14 μmol{sub e−} (g C){sup −1} and 57.1– 346.07 μmol{sub e−} (g C){sup −1}, respectively. Composting treatment increased the fulvic- and humic-like substance content, oxygenated aliphatic carbon content, lignin-derived aromatic carbon content, molecule weight, and N and S content of DOM, but decreased the aliphatic carbon content and the C and H content. This conversion increased the EDC and EAC of the DOM during composting.

  8. Nanoparticle mediated electron transfer across organic layers: from current understanding to applications

    Energy Technology Data Exchange (ETDEWEB)

    Gooding, J. Justin; Alam, Muhammad Tanzirul; Barfidokht, Abbas; Carter, Lachlan, E-mail: justin.gooding@unsw.edu.au [School of Chemistry and Australian Centre for NanoMedicine, The University of New South Wales, Sydney (Australia)

    2014-03-15

    In the last few years electrode-organic layer-nanoparticle constructs have attracted considerable research interest for systems where in the absence of the nanoparticles the electrode is passivated. This is because it has been observed that if the organic layer is a good self-assembled monolayer that passivates the electrode, the presence of the nanoparticles 'switches on' faradaic electrochemistry and because electron transfer between the electrode and the nanoparticles is apparently independent of the thickness of the organic layer. This review 1) outlines the full extent of the experimental observations regarding this phenomenon, 2) discusses a recent theoretical description to explain the observations that have just been supported with experimental evidences and 3) provides an overview of the application of these systems in sensing and photovoltaic. (author)

  9. Saccharomyces cerevisiae as a model organism: a comparative study.

    Directory of Open Access Journals (Sweden)

    Hiren Karathia

    Full Text Available BACKGROUND: Model organisms are used for research because they provide a framework on which to develop and optimize methods that facilitate and standardize analysis. Such organisms should be representative of the living beings for which they are to serve as proxy. However, in practice, a model organism is often selected ad hoc, and without considering its representativeness, because a systematic and rational method to include this consideration in the selection process is still lacking. METHODOLOGY/PRINCIPAL FINDINGS: In this work we propose such a method and apply it in a pilot study of strengths and limitations of Saccharomyces cerevisiae as a model organism. The method relies on the functional classification of proteins into different biological pathways and processes and on full proteome comparisons between the putative model organism and other organisms for which we would like to extrapolate results. Here we compare S. cerevisiae to 704 other organisms from various phyla. For each organism, our results identify the pathways and processes for which S. cerevisiae is predicted to be a good model to extrapolate from. We find that animals in general and Homo sapiens in particular are some of the non-fungal organisms for which S. cerevisiae is likely to be a good model in which to study a significant fraction of common biological processes. We validate our approach by correctly predicting which organisms are phenotypically more distant from S. cerevisiae with respect to several different biological processes. CONCLUSIONS/SIGNIFICANCE: The method we propose could be used to choose appropriate substitute model organisms for the study of biological processes in other species that are harder to study. For example, one could identify appropriate models to study either pathologies in humans or specific biological processes in species with a long development time, such as plants.

  10. Test of models for electron transport in laser produced plasmas

    International Nuclear Information System (INIS)

    Colombant, D.G.; Manheimer, W.M.; Busquet, M.

    2005-01-01

    This paper examines five different models of electron thermal transport in laser produced spherical implosions. These are classical, classical with a flux limit f, delocalization, beam deposition model, and Fokker-Planck solutions. In small targets, the results are strongly dependent on f for flux limit models, with small f's generating very steep temperature gradients. Delocalization models are characterized by large preheat in the center of the target. The beam deposition model agrees reasonably well with the Fokker-Planck simulation results. For large, high gain fusion targets, the delocalization model shows the gain substantially reduced by the preheat. However, flux limitation models show gain largely independent of f, with the beam deposition model also showing the same high gain

  11. Modeling of humidity-related reliability in enclosures with electronics

    DEFF Research Database (Denmark)

    Hygum, Morten Arnfeldt; Popok, Vladimir

    2015-01-01

    Reliability of electronics that operate outdoor is strongly affected by environmental factors such as temperature and humidity. Fluctuations of these parameters can lead to water condensation inside enclosures. Therefore, modelling of humidity distribution in a container with air and freely exposed...

  12. Towards model-based testing of electronic funds transfer systems

    NARCIS (Netherlands)

    Asaadi, H.R.; Khosravi, R.; Mousavi, M.R.; Noroozi, N.; Arbab, F.; Sirjani, M.

    2012-01-01

    We report on our first experience with applying model-based testing techniques to an operational Electronic Funds Transfer (EFT) switch. The goal is to test the conformance of the EFT switch to the standard flows described by the ISO 8583 standard. To this end, we first make a formalization of the

  13. Towards model-based testing of electronic funds transfer systems

    NARCIS (Netherlands)

    Asaadi, H.R.; Khosravi, R.; Mousavi, M.R.; Noroozi, N.

    2010-01-01

    We report on our first experience with applying model-based testing techniques to an operational Electronic Funds Transfer (EFT) switch. The goal is to test the conformance of the EFT switch to the standard flows described by the ISO 8583 standard. To this end, we first make a formalization of the

  14. A multi water bag model of drift kinetic electron plasma

    International Nuclear Information System (INIS)

    Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.

    2014-01-01

    A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)

  15. Three phase carbon EOS model with electronic excitation

    International Nuclear Information System (INIS)

    van Thiel, M.; Ree, F.H.; Grover, R.

    1987-07-01

    A simple and rapid way for computing EOS data of multiphase solids with a liquid phase is described with emphasis on carbon. The method uses a scaling model for the liquid phase and includes a provision for electronic effects. The free energy minimum determines the stable phase

  16. Toward a generic model of trust for electronic commerce

    NARCIS (Netherlands)

    Tan, YH; Thoen, W

    2000-01-01

    The authors present a generic model of trust for electronic commerce consisting of two basic components, party trust and control trust, based on the concept that trust in a transaction with another party combines trust in the other parry and trust in the control mechanisms that ensure the successful

  17. Classical model of the Dirac electron in curved space

    International Nuclear Information System (INIS)

    Barut, A.O.; Pavsic, M.

    1987-01-01

    The action for the classical model of the electron exhibiting Zitterbewegung is generalized to curved space by introducing a spin connection. The dynamical equations and the symplectic structure are given for several different choices of the variables. In particular, we obtain the equation of motion for spin and compare it with the Papapetrou equation. (author)

  18. Technical Communicator: A New Model for the Electronic Resources Librarian?

    Science.gov (United States)

    Hulseberg, Anna

    2016-01-01

    This article explores whether technical communicator is a useful model for electronic resources (ER) librarians. The fields of ER librarianship and technical communication (TC) originated and continue to develop in relation to evolving technologies. A review of the literature reveals four common themes for ER librarianship and TC. While the…

  19. Positron Annihilation Studies of the Electronic Structure of Selected High-Temperature Cuprate and Organic Superconductors.

    Science.gov (United States)

    Chan, Lie Ping

    The understanding of the electronic structure of the high-T_{c} superconductors could be important for a full theoretical description of the mechanism behind superconductivity in these materials. In this thesis, we present our measurements of the positron -electron momentum distributions of the cuprate superconductors Bi_2Sr_2CaCu _2O_8, Tl _2Ba_2Ca _2Cu_3O_ {10}, and the organic superconductor kappa-(BEDT)_2Cu(NCS) _2. We use the positron Two-dimensional Angular Correlation of Annihilation Radiation technique to make the measurements on single crystals and compare our high-statistics data with band structure calculations to determine the existence and nature of the respective Fermi surfaces. The spectra from unannealed Bi _2Sr_2CaCu _2O_8 exhibit effects of the superlattice modulation in the BiO_2 layers, and a theoretical understanding of the modulation effects on the electronic band structure is required to interpret these spectra. Since the present theory does not consider the modulation, we have developed a technique to remove the modulation effects from our spectra, and the resultant data when compared with the positron -electron momentum distribution calculation, yield features consistent with the predicted CuO_2 and BiO_2 Fermi surfaces. In the data from unannealed Tl_2Ba _2Ca_2Cu_3 O_{10}, we only observe indications of the TlO Fermi surfaces, and attribute the absence of the predicted CuO_2 Fermi surfaces to the poor sample quality. In the absence of positron-electron momentum calculations for kappa-(BEDT)_2Cu(NCS) _2, we compare our data to electronic band structure calculations, and observed features suggestive of the predicted Fermi surface contributions from the BEDT cation layers. A complete positron-electron calculation for kappa-(BEDT)_2 Cu(NCS)_2 is required to understand the positron wavefunction effects in this material.

  20. The System Dynamics Model for Development of Organic Agriculture

    Science.gov (United States)

    Rozman, Črtomir; Škraba, Andrej; Kljajić, Miroljub; Pažek, Karmen; Bavec, Martina; Bavec, Franci

    2008-10-01

    Organic agriculture is the highest environmentally valuable agricultural system, and has strategic importance at national level that goes beyond the interests of agricultural sector. In this paper we address development of organic farming simulation model based on a system dynamics methodology (SD). The system incorporates relevant variables, which affect the development of the organic farming. The group decision support system (GDSS) was used in order to identify most relevant variables for construction of causal loop diagram and further model development. The model seeks answers to strategic questions related to the level of organically utilized area, levels of production and crop selection in a long term dynamic context and will be used for simulation of different policy scenarios for organic farming and their impact on economic and environmental parameters of organic production at an aggregate level.

  1. Electron Flux Models for Different Energies at Geostationary Orbit

    Science.gov (United States)

    Boynton, R. J.; Balikhin, M. A.; Sibeck, D. G.; Walker, S. N.; Billings, S. A.; Ganushkina, N.

    2016-01-01

    Forecast models were derived for energetic electrons at all energy ranges sampled by the third-generation Geostationary Operational Environmental Satellites (GOES). These models were based on Multi-Input Single-Output Nonlinear Autoregressive Moving Average with Exogenous inputs methodologies. The model inputs include the solar wind velocity, density and pressure, the fraction of time that the interplanetary magnetic field (IMF) was southward, the IMF contribution of a solar wind-magnetosphere coupling function proposed by Boynton et al. (2011b), and the Dst index. As such, this study has deduced five new 1 h resolution models for the low-energy electrons measured by GOES (30-50 keV, 50-100 keV, 100-200 keV, 200-350 keV, and 350-600 keV) and extended the existing >800 keV and >2 MeV Geostationary Earth Orbit electron fluxes models to forecast at a 1 h resolution. All of these models were shown to provide accurate forecasts, with prediction efficiencies ranging between 66.9% and 82.3%.

  2. Significance of matrix diagonalization in modelling inelastic electron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Z. [University of Ulm, Ulm 89081 (Germany); Hambach, R. [University of Ulm, Ulm 89081 (Germany); University of Jena, Jena 07743 (Germany); Kaiser, U.; Rose, H. [University of Ulm, Ulm 89081 (Germany)

    2017-04-15

    Electron scattering is always applied as one of the routines to investigate nanostructures. Nowadays the development of hardware offers more and more prospect for this technique. For example imaging nanostructures with inelastic scattered electrons may allow to produce component-sensitive images with atomic resolution. Modelling inelastic electron scattering is therefore essential for interpreting these images. The main obstacle to study inelastic scattering problem is its complexity. During inelastic scattering, incident electrons entangle with objects, and the description of this process involves a multidimensional array. Since the simulation usually involves fourdimensional Fourier transforms, the computation is highly inefficient. In this work we have offered one solution to handle the multidimensional problem. By transforming a high dimensional array into twodimensional array, we are able to perform matrix diagonalization and approximate the original multidimensional array with its twodimensional eigenvectors. Our procedure reduces the complicated multidimensional problem to a twodimensional problem. In addition, it minimizes the number of twodimensional problems. This method is very useful for studying multiple inelastic scattering. - Highlights: • 4D problems are involved in modelling inelastic electron scattering. • By means of matrix diagonalization, the 4D problems can be simplified as 2D problems. • The number of 2D problems is minimized by using this approach.

  3. A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon.

    Science.gov (United States)

    Kipka, Undine; Di Toro, Dominic M

    2011-09-01

    Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (K(DOC)) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating K(DOC) to the octanol-water partition coefficient (K(OW)) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse K(DOC) data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log K(DOC) with a root mean square error of 0.43. Copyright © 2011 SETAC.

  4. Analysis of volatile organic compounds of ‘Fuji’ apples following electron beam irradiation and storage

    International Nuclear Information System (INIS)

    Song, Hyun-Pa; Shim, Sung-Lye; Lee, Sun-Im; Kim, Dong-Ho; Kwon, Joong-Ho; Kim, Kyong-Su

    2012-01-01

    The volatile organic compounds of non-irradiated and electron-beam irradiated ‘Fuji’ apples (Malus domestica Borkh.) at 0, 0.5, and 1 kGy were isolated through simultaneous distillation extractions and analyzed using gas chromatograph–mass spectrometry. A total of 53 volatile organic compounds were characterized in 0 and 1 kGy irradiated samples, whereas two more compounds related to ketone and terpenoid group were identified in 0.5 kGy irradiated samples. The contents of volatile compounds were 24.33, 36.49, and 35.28 mg/kg in 0, 0.5, and 1 kGy irradiated samples, respectively. The major compounds identified were butanol, hexanal, [E]-2-hexenal, and hexanol in all samples. The relative content of alcohol increased after 30 days of storage in all samples, whereas that of aldehyde decreased. Although the contents of some volatile compounds were changed by electron-beam irradiation, the total yield and major flavor compounds of irradiated ‘Fuji’ apples were similar to, or even greater than, those of the control. Therefore, the application of e-beam irradiation if required for microbial decontamination of ‘Fuji’ apples is an acceptable method as it does not bring about any major quantitative changes of volatile organic compounds. - Highlights: ► We analyzed the volatile organic compounds of electron beam irradiated Fuji apples. ► The major compounds of samples were butanol, hexanal, [E]-2-hexenal, and hexanol. ► The contents of major flavor compounds of non-irradiated and irradiated samples were similar.

  5. Band electron spectrum and thermodynamic properties of the pseudospin-electron model with tunneling splitting of levels

    Directory of Open Access Journals (Sweden)

    O.Ya.Farenyuk

    2006-01-01

    Full Text Available The pseudospin-electron model with tunneling splitting of levels is considered. Generalization of dynamic mean-field method for systems with correlated hopping was applied to the investigation of the model. Electron spectra, electron concentrations, average values of pseudospins and grand canonical potential were calculated within the alloy-analogy approximation. Electron spectrum and dependencies of the electron concentrations on chemical potential were obtained. It was shown that in the alloy-analogy approximation, the model possesses the first order phase transition to ferromagnetic state with the change of chemical potential and the second order phase transition with the change of temperature.

  6. Many-electron model for multiple ionization in atomic collisions

    International Nuclear Information System (INIS)

    Archubi, C D; Montanari, C C; Miraglia, J E

    2007-01-01

    We have developed a many-electron model for multiple ionization of heavy atoms bombarded by bare ions. It is based on the transport equation for an ion in an inhomogeneous electronic density. Ionization probabilities are obtained by employing the shell-to-shell local plasma approximation with the Levine and Louie dielectric function to take into account the binding energy of each shell. Post-collisional contributions due to Auger-like processes are taken into account by employing recent photoemission data. Results for single-to-quadruple ionization of Ne, Ar, Kr and Xe by protons are presented showing a very good agreement with experimental data

  7. Many-electron model for multiple ionization in atomic collisions

    Energy Technology Data Exchange (ETDEWEB)

    Archubi, C D [Instituto de AstronomIa y Fisica del Espacio, Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina); Montanari, C C [Instituto de AstronomIa y Fisica del Espacio, Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina); Miraglia, J E [Instituto de AstronomIa y Fisica del Espacio, Casilla de Correo 67, Sucursal 28 (C1428EGA) Buenos Aires (Argentina)

    2007-03-14

    We have developed a many-electron model for multiple ionization of heavy atoms bombarded by bare ions. It is based on the transport equation for an ion in an inhomogeneous electronic density. Ionization probabilities are obtained by employing the shell-to-shell local plasma approximation with the Levine and Louie dielectric function to take into account the binding energy of each shell. Post-collisional contributions due to Auger-like processes are taken into account by employing recent photoemission data. Results for single-to-quadruple ionization of Ne, Ar, Kr and Xe by protons are presented showing a very good agreement with experimental data.

  8. Chemical and engineering approaches to enable organic field-effect transistors for electronic skin applications.

    Science.gov (United States)

    Sokolov, Anatoliy N; Tee, Benjamin C-K; Bettinger, Christopher J; Tok, Jeffrey B-H; Bao, Zhenan

    2012-03-20

    Skin is the body's largest organ and is responsible for the transduction of a vast amount of information. This conformable material simultaneously collects signals from external stimuli that translate into information such as pressure, pain, and temperature. The development of an electronic material, inspired by the complexity of this organ is a tremendous, unrealized engineering challenge. However, the advent of carbon-based electronics may offer a potential solution to this long-standing problem. In this Account, we describe the use of an organic field-effect transistor (OFET) architecture to transduce mechanical and chemical stimuli into electrical signals. In developing this mimic of human skin, we thought of the sensory elements of the OFET as analogous to the various layers and constituents of skin. In this fashion, each layer of the OFET can be optimized to carry out a specific recognition function. The separation of multimodal sensing among the components of the OFET may be considered a "divide and conquer" approach, where the electronic skin (e-skin) can take advantage of the optimized chemistry and materials properties of each layer. This design of a novel microstructured gate dielectric has led to unprecedented sensitivity for tactile pressure events. Typically, pressure-sensitive components within electronic configurations have suffered from a lack of sensitivity or long mechanical relaxation times often associated with elastomeric materials. Within our method, these components are directly compatible with OFETs and have achieved the highest reported sensitivity to date. Moreover, the tactile sensors operate on a time scale comparable with human skin, making them ideal candidates for integration as synthetic skin devices. The methodology is compatible with large-scale fabrication and employs simple, commercially available elastomers. The design of materials within the semiconductor layer has led to the incorporation of selectivity and sensitivity within

  9. Magnetic Electron Filtering by Fluid Models for the PEGASES Thruster

    Science.gov (United States)

    Leray, Gary; Chabert, Pascal; Lichtenberg, Allan; Lieberman, Michael

    2009-10-01

    The PEGASES thruster produces thrust by creating positive and negative ions, which are then accelerated. To accelerate both type of ions, electrons need to be filtered, which is achieved by applying a static magnetic field strong enough to magnetize the electrons but not the ions. A 1D fluid model with three species (electrons, positive and negative ions) and an analytical model are proposed to understand this process for an oxygen plasma with p = 10 mTorr and B0 = 300 G [1]. The resulting ion-ion plasma formation in the transverse direction (perpendicular to the magnetic field) is demonstrated. It is shown that an additional electron/positive ion loss term is required. The solutions are evaluated for two main parameters: the ionizing fraction at the plasma center (x = 0), ne0/ng, and the electronegativity ratio at the center, α0=nn0/ne0. The effect of geometry and magnetic field amplitude are also discussed. [4pt] [1] Leray G, Chabert P, Lichtenberg A J and Lieberman M A, J. Phys. D: Appl. Phys., Plasma Modelling Cluster issue, to appear (2009)

  10. Electron Acceptors Based on α-Substituted Perylene Diimide (PDI) for Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Donglin [Department; Wu, Qinghe [Department; Cai, Zhengxu [Department; Zheng, Tianyue [Department; Chen, Wei [Materials; Institute; Lu, Jessica [Department; Yu, Luping [Department

    2016-02-02

    Perylene diimide (PDI) derivatives functionalized at the ortho-position (αPPID, αPBDT) were synthesized and used as electron acceptors in non-fullerene organic photovoltaic cells. Because of the good planarity and strong π-stacking of ortho-functionalized PDI, the αPPID and αPBDT exhibit a strong tendency to form aggregates, which endow the materials with high electron mobility. The inverted OPVs employing αPDI-based compounds as the acceptors and PBT7-Th as the donor give the highest power conversion efficiency (PCE) values: 4.92% for αPBDT-based devices and 3.61% for αPPID-based devices, which are, respectively, 39% and 4% higher than that of their β-substituted counterparts βPBDT and βPPID. Charge separation studies show more efficient exciton dissociation at interfaces between αPDI-based compounds and PTB7-Th. The results suggest that α-substituted PDI derivatives are more promising electron acceptors for organic photovoltaic (OPV) components than β-isomers.

  11. Macromolecular scaffolding: the relationship between nanoscale architecture and function in multichromophoric arrays for organic electronics.

    Science.gov (United States)

    Palermo, Vincenzo; Schwartz, Erik; Finlayson, Chris E; Liscio, Andrea; Otten, Matthijs B J; Trapani, Sara; Müllen, Klaus; Beljonne, David; Friend, Richard H; Nolte, Roeland J M; Rowan, Alan E; Samorì, Paolo

    2010-02-23

    The optimization of the electronic properties of molecular materials based on optically or electrically active organic building blocks requires a fine-tuning of their self-assembly properties at surfaces. Such a fine-tuning can be obtained on a scale up to 10 nm by mastering principles of supramolecular chemistry, i.e., by using suitably designed molecules interacting via pre-programmed noncovalent forces. The control and fine-tuning on a greater length scale is more difficult and challenging. This Research News highlights recent results we obtained on a new class of macromolecules that possess a very rigid backbone and side chains that point away from this backbone. Each side chain contains an organic semiconducting moiety, whose position and electronic interaction with neighboring moieties are dictated by the central macromolecular scaffold. A combined experimental and theoretical approach has made it possible to unravel the physical and chemical properties of this system across multiple length scales. The (opto)electronic properties of the new functional architectures have been explored by constructing prototypes of field-effect transistors and solar cells, thereby providing direct insight into the relationship between architecture and function.

  12. Modeling the influence of organic acids on soil weathering

    Science.gov (United States)

    Lawrence, Corey R.; Harden, Jennifer W.; Maher, Kate

    2014-01-01

    Biological inputs and organic matter cycling have long been regarded as important factors in the physical and chemical development of soils. In particular, the extent to which low molecular weight organic acids, such as oxalate, influence geochemical reactions has been widely studied. Although the effects of organic acids are diverse, there is strong evidence that organic acids accelerate the dissolution of some minerals. However, the influence of organic acids at the field-scale and over the timescales of soil development has not been evaluated in detail. In this study, a reactive-transport model of soil chemical weathering and pedogenic development was used to quantify the extent to which organic acid cycling controls mineral dissolution rates and long-term patterns of chemical weathering. Specifically, oxalic acid was added to simulations of soil development to investigate a well-studied chronosequence of soils near Santa Cruz, CA. The model formulation includes organic acid input, transport, decomposition, organic-metal aqueous complexation and mineral surface complexation in various combinations. Results suggest that although organic acid reactions accelerate mineral dissolution rates near the soil surface, the net response is an overall decrease in chemical weathering. Model results demonstrate the importance of organic acid input concentrations, fluid flow, decomposition and secondary mineral precipitation rates on the evolution of mineral weathering fronts. In particular, model soil profile evolution is sensitive to kaolinite precipitation and oxalate decomposition rates. The soil profile-scale modeling presented here provides insights into the influence of organic carbon cycling on soil weathering and pedogenesis and supports the need for further field-scale measurements of the flux and speciation of reactive organic compounds.

  13. Analog electronic model of the lobster pyloric central pattern generator

    Energy Technology Data Exchange (ETDEWEB)

    Volkovskii, A [Institute for Nonlinear Science, University of California San Diego, CA (United States); Brugioni, S [Institute for Nonlinear Science, University of California San Diego, CA (United States); Istituto Nazionale di Ottica Applicata Largo E. Fermi 6 50125 Florence (Italy); Levi, R [Institute for Nonlinear Science, University of California San Diego, CA (United States); Rabinovich, M [Institute for Nonlinear Science, University of California San Diego, CA (United States); Selverston, A [Institute for Nonlinear Science, University of California San Diego, CA (United States); Abarbane, H D I [Institute for Nonlinear Science, University of California San Diego, CA (United States)

    2005-01-01

    An electronic circuit intended to simulate the nonlinear dynamics of a simplified 3-cell model of the pyloric central pattern generator in California spiny lobster stomato gastric ganglion is presented. The model employs the synaptic phase locked loop (SPLL) concept where the frequency of oscillations of a postsynaptic cell is mainly controlled by the synaptic current which depends on the phase shift between the oscillations. The theoretical study showed that the system has a stable steady state with correct phase shifts between the oscillations and that this regime is stable when the frequency of the pacemaker cell is varied over a wide range. The main bifurcations in the system were studied analytically, in computer simulations, and in experiments with the electronic circuit. The experimental measurements are in good agreement with the expectations of the theoretical model.

  14. A theoretical model on surface electronic behavior: Strain effect

    International Nuclear Information System (INIS)

    Qin, W.G.; Shaw, D.

    2009-01-01

    Deformation from mechanical loading can affect surface electronic behavior. Surface deformation and electronic behavior can be quantitatively expressed using strain and work function, respectively, and their experimental relationship can be readily determined using the Kelvin probing technique. However, the theoretical correlation between work function and strain has been unclear. This study reports our theoretical exploration, for the first time, of the effect of strain on work function. We propose a simple electrostatic action model by considering the effect of a dislocation on work function of a one-dimensional lattice and further extend this model to the complex conditions for the effect of dislocation density. Based on this model, we established successfully a theoretical correlation between work function and strain.

  15. The Development Model Electronic Commerce of Regional Agriculture

    Science.gov (United States)

    Kang, Jun; Cai, Lecai; Li, Hongchan

    With the developing of the agricultural information, it is inevitable trend of the development of agricultural electronic commercial affairs. On the basis of existing study on the development application model of e-commerce, combined with the character of the agricultural information, compared with the developing model from the theory and reality, a new development model electronic commerce of regional agriculture base on the government is put up, and such key issues as problems of the security applications, payment mode, sharing mechanisms, and legal protection are analyzed, etc. The among coordination mechanism of the region is discussed on, it is significance for regulating the development of agricultural e-commerce and promoting the regional economical development.

  16. Daphnia as an Emerging Epigenetic Model Organism

    Directory of Open Access Journals (Sweden)

    Kami D. M. Harris

    2012-01-01

    Full Text Available Daphnia offer a variety of benefits for the study of epigenetics. Daphnia’s parthenogenetic life cycle allows the study of epigenetic effects in the absence of confounding genetic differences. Sex determination and sexual reproduction are epigenetically determined as are several other well-studied alternate phenotypes that arise in response to environmental stressors. Additionally, there is a large body of ecological literature available, recently complemented by the genome sequence of one species and transgenic technology. DNA methylation has been shown to be altered in response to toxicants and heavy metals, although investigation of other epigenetic mechanisms is only beginning. More thorough studies on DNA methylation as well as investigation of histone modifications and RNAi in sex determination and predator-induced defenses using this ecologically and evolutionarily important organism will contribute to our understanding of epigenetics.

  17. Mechanical Properties of Organic Semiconductors for Stretchable, Highly Flexible, and Mechanically Robust Electronics.

    Science.gov (United States)

    Root, Samuel E; Savagatrup, Suchol; Printz, Adam D; Rodriquez, Daniel; Lipomi, Darren J

    2017-05-10

    Mechanical deformability underpins many of the advantages of organic semiconductors. The mechanical properties of these materials are, however, diverse, and the molecular characteristics that permit charge transport can render the materials stiff and brittle. This review is a comprehensive description of the molecular and morphological parameters that govern the mechanical properties of organic semiconductors. Particular attention is paid to ways in which mechanical deformability and electronic performance can coexist. The review begins with a discussion of flexible and stretchable devices of all types, and in particular the unique characteristics of organic semiconductors. It then discusses the mechanical properties most relevant to deformable devices. In particular, it describes how low modulus, good adhesion, and absolute extensibility prior to fracture enable robust performance, along with mechanical "imperceptibility" if worn on the skin. A description of techniques of metrology precedes a discussion of the mechanical properties of three classes of organic semiconductors: π-conjugated polymers, small molecules, and composites. The discussion of each class of materials focuses on molecular structure and how this structure (and postdeposition processing) influences the solid-state packing structure and thus the mechanical properties. The review concludes with applications of organic semiconductor devices in which every component is intrinsically stretchable or highly flexible.

  18. Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

    KAUST Repository

    Nielsen, Christian B.

    2015-10-27

    The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted to optimize the absorbing, energetic, and transport properties of the donor material, fullerenes remain as the exclusive electron acceptor in all high performance devices. Very recently, some new non-fullerene acceptors have been demonstrated to outperform fullerenes in comparative devices. This Account describes this progress, discussing molecular design considerations and the structure–property relationships that are emerging. The motivation to replace fullerene acceptors stems from their synthetic inflexibility, leading to constraints in manipulating frontier energy levels, as well as poor absorption in the solar spectrum range, and an inherent tendency to undergo postfabrication crystallization, resulting in device instability. New acceptors have to address these limitations, providing tunable absorption with high extinction coefficients, thus contributing to device photocurrent. The ability to vary and optimize the lowest unoccupied molecular orbital (LUMO) energy level for a specific donor polymer is also an important requirement, ensuring minimal energy loss on electron transfer and as high an internal voltage as possible. Initially perylene diimide acceptors were evaluated as promising acceptor materials. These electron deficient aromatic molecules can exhibit good electron transport, facilitated by close packed herringbone crystal motifs, and their energy levels can be synthetically tuned. The principal drawback of this class of materials, their tendency to crystallize on too large a length scale for an optimal heterojunction nanostructure, has been shown to be overcome through introduction of conformation twisting through steric effects. This has been primarily achieved by coupling two units together, forming dimers

  19. Hydrogen-Bonded Organic Semiconductor Micro- And Nanocrystals: From Colloidal Syntheses to (Opto-)Electronic Devices

    Science.gov (United States)

    2014-01-01

    Organic pigments such as indigos, quinacridones, and phthalocyanines are widely produced industrially as colorants for everyday products as various as cosmetics and printing inks. Herein we introduce a general procedure to transform commercially available insoluble microcrystalline pigment powders into colloidal solutions of variously sized and shaped semiconductor micro- and nanocrystals. The synthesis is based on the transformation of the pigments into soluble dyes by introducing transient protecting groups on the secondary amine moieties, followed by controlled deprotection in solution. Three deprotection methods are demonstrated: thermal cleavage, acid-catalyzed deprotection, and amine-induced deprotection. During these processes, ligands are introduced to afford colloidal stability and to provide dedicated surface functionality and for size and shape control. The resulting micro- and nanocrystals exhibit a wide range of optical absorption and photoluminescence over spectral regions from the visible to the near-infrared. Due to excellent colloidal solubility offered by the ligands, the achieved organic nanocrystals are suitable for solution processing of (opto)electronic devices. As examples, phthalocyanine nanowire transistors as well as quinacridone nanocrystal photodetectors, with photoresponsivity values by far outperforming those of vacuum deposited reference samples, are demonstrated. The high responsivity is enabled by photoinduced charge transfer between the nanocrystals and the directly attached electron-accepting vitamin B2 ligands. The semiconducting nanocrystals described here offer a cheap, nontoxic, and environmentally friendly alternative to inorganic nanocrystals as well as a new paradigm for obtaining organic semiconductor materials from commercial colorants. PMID:25253644

  20. Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

    International Nuclear Information System (INIS)

    Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

    2014-01-01

    The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

  1. Plasmonically sensitized metal-oxide electron extraction layers for organic solar cells.

    Science.gov (United States)

    Trost, S; Becker, T; Zilberberg, K; Behrendt, A; Polywka, A; Heiderhoff, R; Görrn, P; Riedl, T

    2015-01-16

    ZnO and TiOx are commonly used as electron extraction layers (EELs) in organic solar cells (OSCs). A general phenomenon of OSCs incorporating these metal-oxides is the requirement to illuminate the devices with UV light in order to improve device characteristics. This may cause severe problems if UV to VIS down-conversion is applied or if the UV spectral range (λ work, silver nanoparticles (AgNP) are used to plasmonically sensitize metal-oxide based EELs in the vicinity (1-20 nm) of the metal-oxide/organic interface. We evidence that plasmonically sensitized metal-oxide layers facilitate electron extraction and afford well-behaved highly efficient OSCs, even without the typical requirement of UV exposure. It is shown that in the plasmonically sensitized metal-oxides the illumination with visible light lowers the WF due to desorption of previously ionosorbed oxygen, in analogy to the process found in neat metal oxides upon UV exposure, only. As underlying mechanism the transfer of hot holes from the metal to the oxide upon illumination with hν < Eg is verified. The general applicability of this concept to most common metal-oxides (e.g. TiOx and ZnO) in combination with different photoactive organic materials is demonstrated.

  2. Nematodes: Model Organisms in High School Biology

    Science.gov (United States)

    Bliss, TJ; Anderson, Margery; Dillman, Adler; Yourick, Debra; Jett, Marti; Adams, Byron J.; Russell, RevaBeth

    2007-01-01

    In a collaborative effort between university researchers and high school science teachers, an inquiry-based laboratory module was designed using two species of insecticidal nematodes to help students apply scientific inquiry and elements of thoughtful experimental design. The learning experience and model are described in this article. (Contains 4…

  3. About the free electron model in electric conduction of metals

    International Nuclear Information System (INIS)

    Hoffmann, C.

    1991-01-01

    In the model proposed by Drude to describe, among others, the electric conduction in metals, it is supposed that electrons move freely in the material with a time interval between encounters T and a probability distribution g(t). The name, 'electron pause time', will be assigned to the time T with that probability distribution. The calculations made by Drude turned out to be erroneous. The error can be corrected observing that the random variable 'pause time' appearing in this intuitive idea is not the previously defined random variable T, 'electron pause time', but another random variable S, which will be called 'observed pause time' whose probability density is Csg(s), where C is a normalization constant. With this distribution, the characteristics of the distribution, q(u), of the wait time can be obtained. (Author) [es

  4. Improving CASINO performance for models with large number of electrons

    International Nuclear Information System (INIS)

    Anton, L.; Alfe, D.; Hood, R.Q.; Tanqueray, D.

    2009-01-01

    Quantum Monte Carlo calculations have at their core algorithms based on statistical ensembles of multidimensional random walkers which are straightforward to use on parallel computers. Nevertheless some computations have reached the limit of the memory resources for models with more than 1000 electrons because of the need to store a large amount of electronic orbitals related data. Besides that, for systems with large number of electrons, it is interesting to study if the evolution of one configuration of random walkers can be done faster in parallel. We present a comparative study of two ways to solve these problems: (1) distributed orbital data done with MPI or Unix inter-process communication tools, (2) second level parallelism for configuration computation

  5. Modeling power electronics and interfacing energy conversion systems

    CERN Document Server

    Simões, Marcelo Godoy

    2017-01-01

    Discusses the application of mathematical and engineering tools for modeling, simulation and control oriented for energy systems, power electronics and renewable energy. This book builds on the background knowledge of electrical circuits, control of dc/dc converters and inverters, energy conversion and power electronics. The book shows readers how to apply computational methods for multi-domain simulation of energy systems and power electronics engineering problems. Each chapter has a brief introduction on the theoretical background, a description of the problems to be solved, and objectives to be achieved. Block diagrams, electrical circuits, mathematical analysis or computer code are covered. Each chapter concludes with discussions on what should be learned, suggestions for further studies and even some experimental work.

  6. Modeling and Control of a teletruck using electronic load sensing

    DEFF Research Database (Denmark)

    Hansen, Rico Hjerm; Iversen, Asger Malte; Jensen, Mads Schmidt

    2010-01-01

    system is most commonly controlled using a hydro-mechanical control scheme called Hydraulic Load Sensing (HLS). However, with the demands for increased efficiency and controllability the HLS solutions are reaching their limits. Motivated by availability of electronic controllable fluid power...... components and the potential of increased dynamic performance and efficiency, this paper investigates how HLS can be replaced with electronic control, i.e. Electronic Load Sensing (ELS). The investigation is performed by taking a specific application, a teletruck, and replace the HLS control with ELS. To aid...... the controller design for the ELS system, a complete model of the teletruck’s articulated arm and fluid power system is developed. To show the feasibility, a preliminary control structure for the ELS system is developed. The controller is tested on the machine, validating that features such as pump pressure...

  7. Statistics of excitations in the electron glass model

    Science.gov (United States)

    Palassini, Matteo

    2011-03-01

    We study the statistics of elementary excitations in the classical electron glass model of localized electrons interacting via the unscreened Coulomb interaction in the presence of disorder. We reconsider the long-standing puzzle of the exponential suppression of the single-particle density of states near the Fermi level, by measuring accurately the density of states of charged and electron-hole pair excitations via finite temperature Monte Carlo simulation and zero-temperature relaxation. We also investigate the statistics of large charge rearrangements after a perturbation of the system, which may shed some light on the slow relaxation and glassy phenomena recently observed in a variety of Anderson insulators. In collaboration with Martin Goethe.

  8. Tattoo-Paper Transfer as a Versatile Platform for All-Printed Organic Edible Electronics.

    Science.gov (United States)

    Bonacchini, Giorgio E; Bossio, Caterina; Greco, Francesco; Mattoli, Virgilio; Kim, Yun-Hi; Lanzani, Guglielmo; Caironi, Mario

    2018-04-01

    The use of natural or bioinspired materials to develop edible electronic devices is a potentially disruptive technology that can boost point-of-care testing. The technology exploits devices that can be safely ingested, along with pills or even food, and operated from within the gastrointestinal tract. Ingestible electronics can potentially target a significant number of biomedical applications, both as therapeutic and diagnostic tool, and this technology may also impact the food industry, by providing ingestible or food-compatible electronic tags that can "smart" track goods and monitor their quality along the distribution chain. Temporary tattoo-paper is hereby proposed as a simple and versatile platform for the integration of electronics onto food and pharmaceutical capsules. In particular, the fabrication of all-printed organic field-effect transistors on untreated commercial tattoo-paper, and their subsequent transfer and operation on edible substrates with a complex nonplanar geometry is demonstrated. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Femtosecond dynamics of electron transfer in a neutral organic mixed-valence compound

    International Nuclear Information System (INIS)

    Maksimenka, Raman; Margraf, Markus; Koehler, Juliane; Heckmann, Alexander; Lambert, Christoph; Fischer, Ingo

    2008-01-01

    In this article we report a femtosecond time-resolved transient absorption study of a neutral organic mixed-valence (MV) compound with the aim to gain insight into its charge-transfer dynamics upon optical excitation. The back-electron transfer was investigated in five different solvents, toluene, dibutyl ether, methyl-tert-butyl ether (MTBE), benzonitrile and n-hexane. In the pump step, the molecule was excited at 760 nm and 850 nm into the intervalence charge-transfer band. The resulting transients can be described by two time constant. We assign one time constant to the rearrangement of solvent molecules in the charge-transfer state and the second time constant to back-electron transfer to the electronic ground state. Back-electron transfer rates range from 1.5 x 10 12 s -1 in benzonitrile through 8.3 x 10 11 s -1 in MTBE, around 1.6 x 10 11 s -1 in dibutylether and toluene and to 3.8 x 10 9 s -1 in n-hexane

  10. Fabrication of an Organic Light-Emitting Diode from New Host π Electron Rich Zinc Complex

    Science.gov (United States)

    Jafari, Mohammad Reza; Janghouri, Mohammad; Shahedi, Zahra

    2017-01-01

    A new π electron rich zinc complex was used as a fluorescent material in organic light-emitting diodes (OLEDs). Devices with a structure of indium tin oxide/poly (3,4-ethylenedi-oxythiophene):poly(styrenesulfonate) (PEDOT: PSS) (50 nm)/polyvinylcarbazole (60 nm)/Zn: %2 porphyrin derivatives (45 nm)/Al (150 nm) were fabricated. Porphyrin derivatives accounting for 2 wt.% in the π electron rich zinc complex were used as a host. The electroluminescence (EL) spectra of porphyrin derivatives indicated a red shift, as π electron rich zinc complex EL spectra. The device (4) has also a luminance of 3420 cd/m2 and maximum efficiency of 1.58 cd/A at 15 V, which are the highest values among four devices. The result of Commission International del'Eclairage (CIE) (X, Y) coordinate and EL spectrum of device (3) indicated that it is more red shifted compared to other devices. Results of this work indicate that π electron rich zinc complex is a promising host material for high efficiency red OLEDs and has a simple structure compared to Alq3-based devices.

  11. Structural Ordering of Semiconducting Polymers and Small-Molecules for Organic Electronics

    Science.gov (United States)

    O'Hara, Kathryn Allison

    Semiconducting polymers and small-molecules can be readily incorporated into electronic devices such as organic photovoltaics (OPVs), thermoelectrics (OTEs), organic light emitting diodes (OLEDs), and organic thin film transistors (OTFTs). Organic materials offer the advantage of being processable from solution to form flexible and lightweight thin films. The molecular design, processing, and resulting thin film morphology of semiconducting polymers drastically affect the optical and electronic properties. Charge transport within films of semiconducting polymers relies on the nanoscale organization to ensure electronic coupling through overlap of molecular orbitals and to provide continuous transport pathways. While the angstrom-scale packing details can be studied using X-ray scattering methods, an understanding of the mesoscale, or the length scale over which smaller ordered regions connect, is much harder to achieve. Grain boundaries play an important role in semiconducting polymer thin films where the average grain size is much smaller than the total distance which charges must traverse in order to reach the electrodes in a device. The majority of semiconducting polymers adopt a lamellar packing structure in which the conjugated backbones align in parallel pi-stacks separated by the alkyl side-chains. Only two directions of transport are possible--along the conjugated backbone and in the pi-stacking direction. Currently, the discussion of transport between crystallites is centered around the idea of tie-chains, or "bridging" polymer chains connecting two ordered regions. However, as molecular structures become increasingly complex with the development of new donor-acceptor copolymers, additional forms of connectivity between ordered domains should be considered. High resolution transmission electron microscopy (HRTEM) is a powerful tool for directly imaging the crystalline grain boundaries in polymer and small-molecule thin films. Recently, structures

  12. Lifetime enhanced phosphorescent organic light emitting diode using an electron scavenger layer

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Seokhwan; Kim, Ji Whan; Lee, Sangyeob, E-mail: sy96.lee@samsung.com [Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd., 130 Samsung-ro, Suwon, Gyeonggi 443-803 (Korea, Republic of)

    2015-07-27

    We demonstrate a method to improve lifetime of a phosphorescent organic light emitting diode (OLED) using an electron scavenger layer (ESL) in a hole transporting layer (HTL) of the device. We use a bis(1-(phenyl)isoquinoline)iridium(III)acetylacetonate [Ir(piq){sub 2}(acac)] doped HTL to stimulate radiative decay, preventing thermal degradation in HTL. The ESL effectively prevented non-radiative decay of leakage electron in HTL by converting non-radiative decay to radiative decay via a phosphorescent red emitter, Ir(piq){sub 2}(acac). The lifetime of device (t{sub 95}: time after 5% decrease of luminance) has been increased from 75 h to 120 h by using the ESL in a phosphorescent green-emitting OLED.

  13. Free energy correlation of rate constants for electron transfer between organic systems in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Meisel, D

    1975-07-15

    Recent experimental data concerning the rate constants for electron transfer reactions of organic systems in aqueous solutions and their equilibrium constants is examined for possible correlation. The data is correlated quite well by the Marcus theory, if a reorganization parameter, lambda, of 18 kcal/mole is used. Assuming that the only contribution to lambda is the free energy of rearrangement of the water molecules, an effective radius of 5 A for the reacting entities is estimated. For the zero free energy change reaction, i.e., electron exchange between a radical ion and its parent molecule, a rate constant of about 5 X 10/sup 7/ M/sup -1/ s/sup -1/ is predicted. (auth)

  14. Fluorescence quenching of derivatives of anthracene by organic electron donors and acceptors in acetonitrile. Electron and proton transfer mechanism

    Science.gov (United States)

    Mac, Marek; Najbar, Jan; Wirz, Jakob

    1995-03-01

    Fluorescence quenching of anthracene derivatives by organic electron donors (amines) and acceptors was investigated using stationary fluorescence measurements. The dependence of log( kq) on Δ Get shows Rehm-Weller-type behavior. The formation of anion radicals of anthracene, bianthryl, and 9-cyanoanthracene was detected by flash photolysis in systems containing aromatic amines (aniline, 2-bromoaniline, 4-bromoaniline, N,N-dimethylaniline, 4-bromo-N,N-dimethylaniline, N,N-diethylaniline, and 1,4-diazabicyclo[2.2.2]octane). The radical yields decreased and triplet yields increased when bromo derivatives of amines were used as donor quenchers, indicating the heavy-atom effect on spin conversion within radical pairs. The importance of the heavy-atom effect decreased when the energy gap between the charge transfer and molecular triplet states was small. The formation of separated radicals decreased when primary amines were used as quenchers which indicated the existence of an additional path of deactivation of the radical pair. The behavior of amines as quenchers of bianthryl and anthracene is compared with that of inorganic anion quenchers.

  15. The impact of university provided nurse electronic medical record training on health care organizations: an exploratory simulation approach.

    Science.gov (United States)

    Abrahamson, Kathleen; Anderson, James G; Borycki, Elizabeth M; Kushniruk, Andre W; Malovec, Shannon; Espejo, Angela; Anderson, Marilyn

    2015-01-01

    Training providers appropriately, particularly early in their caregiving careers, is an important aspect of electronic medical record (EMR) implementation. Considerable time and resources are needed to bring the newly hired providers 'up to speed' with the actual use practices of the organization. Similarly, universities lose valuable clinical training hours when students are required to spend those hours learning organization-specific EMR systems in order to participate in care during clinical rotations. Although there are multiple real-world barriers to university/health care organization training partnerships, the investment these entities share in training care providers, specifically nurses, to use and understand EMR technology encourages a question: What would be the cumulative effect of integrating a mutually agreed upon EMR system training program in to nursing classroom training on downstream hospital costs in terms of hours of direct caregiving lost, and benefits in terms of number of overall EMR trained nurses hired? In order to inform the development of a large scale study, we employed a dynamic systems modeling approach to simulate the theoretical relationships between key model variables and determine the possible effect of integrating EMR training into nursing classrooms on hospital outcomes. The analysis indicated that integrating EMR training into the nursing classroom curriculum results in more available time for nurse bedside care. Also, the simulation suggests that efficiency of clinical training can be potentially improved by centralizing EMR training within the nursing curriculum.

  16. Power electronic converters modeling and control with case studies

    CERN Document Server

    Bacha, Seddik; Bratcu, Antoneta Iuliana

    2014-01-01

    Modern power electronic converters are involved in a very broad spectrum of applications: switched-mode power supplies, electrical-machine-motion-control, active power filters, distributed power generation, flexible AC transmission systems, renewable energy conversion systems and vehicular technology, among them. Power Electronics Converters Modeling and Control teaches the reader how to analyze and model the behavior of converters and so to improve their design and control. Dealing with a set of confirmed algorithms specifically developed for use with power converters, this text is in two parts: models and control methods. The first is a detailed exposition of the most usual power converter models: ·        switched and averaged models; ·        small/large-signal models; and ·        time/frequency models. The second focuses on three groups of control methods: ·        linear control approaches normally associated with power converters; ·        resonant controllers b...

  17. Modeling and multidimensional optimization of a tapered free electron laser

    Directory of Open Access Journals (Sweden)

    Y. Jiao

    2012-05-01

    Full Text Available Energy extraction efficiency of a free electron laser (FEL can be greatly increased using a tapered undulator and self-seeding. However, the extraction rate is limited by various effects that eventually lead to saturation of the peak intensity and power. To better understand these effects, we develop a model extending the Kroll-Morton-Rosenbluth, one-dimensional theory to include the physics of diffraction, optical guiding, and radially resolved particle trapping. The predictions of the model agree well with that of the GENESIS single-frequency numerical simulations. In particular, we discuss the evolution of the electron-radiation interaction along the tapered undulator and show that the decreasing of refractive guiding is the major cause of the efficiency reduction, particle detrapping, and then saturation of the radiation power. With this understanding, we develop a multidimensional optimization scheme based on GENESIS simulations to increase the energy extraction efficiency via an improved taper profile and variation in electron beam radius. We present optimization results for hard x-ray tapered FELs, and the dependence of the maximum extractable radiation power on various parameters of the initial electron beam, radiation field, and the undulator system. We also study the effect of the sideband growth in a tapered FEL. Such growth induces increased particle detrapping and thus decreased refractive guiding that together strongly limit the overall energy extraction efficiency.

  18. Self-organized quantum rings : Physical characterization and theoretical modeling

    NARCIS (Netherlands)

    Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Koenraad, P.M.; Fomin, V.M.

    2014-01-01

    An adequate modeling of the self-organized quantum rings is possible only on the basis of the modern characterization of those nanostructures.We discuss an atomic-scale analysis of the indium distribution of self-organized InGaAs quantum rings (QRs). The analysis of the shape, size and composition

  19. Resilient organizations: matrix model and service line management.

    Science.gov (United States)

    Westphal, Judith A

    2005-09-01

    Resilient organizations modify structures to meet the demands of the marketplace. The author describes a structure that enables multihospital organizations to innovate and rapidly adapt to changes. Service line management within a matrix model is an evolving organizational structure for complex systems in which nurses are pivotal members.

  20. (Tropical) soil organic matter modelling: problems and prospects

    NARCIS (Netherlands)

    Keulen, van H.

    2001-01-01

    Soil organic matter plays an important role in many physical, chemical and biological processes. However, the quantitative relations between the mineral and organic components of the soil and the relations with the vegetation are poorly understood. In such situations, the use of models is an

  1. Oligothiophene-S,S-dioxides as a class of electron-acceptor materials for organic photovoltaics

    International Nuclear Information System (INIS)

    Camaioni, N.; Ridolfi, G.; Fattori, V.; Favaretto, L.; Barbarella, G.

    2004-01-01

    Oligothiophene-S,S-dioxides are proposed as electron acceptors materials in organic blended photovoltaic devices. Photoinduced charge transfer is demonstrated in blends between a regioregular poly(3-hexylthiophene) and the oligomers, via photoluminescence spectroscopy. The enhanced photovoltaic performance exhibited by the blended cells, with respect to that of pristine devices in which the polymer is the active layer, represents further evidence for exciton dissociation. An increase of the power conversion efficiency up to sixty-fold is achieved by blending the polymer with the oligothiophene-S,S-dioxides

  2. Chemical engineering in the electronics industry: progress towards the rational design of organic semiconductor heterojunctions

    KAUST Repository

    Clancy, Paulette

    2012-01-01

    We review the current status of heterojunction design for combinations of organic semiconductor materials, given its central role in affecting the device performance for electronic devices and solar cell applications. We provide an emphasis on recent progress towards the rational design of heterojunctions that may lead to higher performance of charge separation and mobility. We also play particular attention to the role played by computational approaches and its potential to help define the best choice of materials for solar cell development in the future. We report the current status of the field with respect to such goals. © 2012 Elsevier Ltd.

  3. Chemical engineering in the electronics industry: progress towards the rational design of organic semiconductor heterojunctions

    KAUST Repository

    Clancy, Paulette

    2012-05-01

    We review the current status of heterojunction design for combinations of organic semiconductor materials, given its central role in affecting the device performance for electronic devices and solar cell applications. We provide an emphasis on recent progress towards the rational design of heterojunctions that may lead to higher performance of charge separation and mobility. We also play particular attention to the role played by computational approaches and its potential to help define the best choice of materials for solar cell development in the future. We report the current status of the field with respect to such goals. © 2012 Elsevier Ltd.

  4. The fate of electron-hole pairs in polymer:fullerene blends for organic photovoltaics

    Science.gov (United States)

    Causa', Martina; de Jonghe-Risse, Jelissa; Scarongella, Mariateresa; Brauer, Jan C.; Buchaca-Domingo, Ester; Moser, Jacques-E.; Stingelin, Natalie; Banerji, Natalie

    2016-09-01

    There has been long-standing debate on how free charges are generated in donor:acceptor blends that are used in organic solar cells, and which are generally comprised of a complex phase morphology, where intermixed and neat phases of the donor and acceptor material co-exist. Here we resolve this question, basing our conclusions on Stark effect spectroscopy data obtained in the absence and presence of externally applied electric fields. Reconciling opposing views found in literature, we unambiguously demonstrate that the fate of photogenerated electron-hole pairs--whether they will dissociate to free charges or geminately recombine--is determined at ultrafast times, despite the fact that their actual spatial separation can be much slower. Our insights are important to further develop rational approaches towards material design and processing of organic solar cells, assisting to realize their purported promise as lead-free, third-generation energy technology that can reach efficiencies over 10%.

  5. Investigating ecological speciation in non-model organisms

    DEFF Research Database (Denmark)

    Foote, Andrew David

    2012-01-01

    Background: Studies of ecological speciation tend to focus on a few model biological systems. In contrast, few studies on non-model organisms have been able to infer ecological speciation as the underlying mechanism of evolutionary divergence. Questions: What are the pitfalls in studying ecological...... speciation in non-model organisms that lead to this bias? What alternative approaches might redress the balance? Organism: Genetically differentiated types of the killer whale (Orcinus orca) exhibiting differences in prey preference, habitat use, morphology, and behaviour. Methods: Review of the literature...... on killer whale evolutionary ecology in search of any difficulty in demonstrating causal links between variation in phenotype, ecology, and reproductive isolation in this non-model organism. Results: At present, we do not have enough evidence to conclude that adaptive phenotype traits linked to ecological...

  6. Modelling the self-organization and collapse of complex networks

    Indian Academy of Sciences (India)

    Modelling the self-organization and collapse of complex networks. Sanjay Jain Department of Physics and Astrophysics, University of Delhi Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore Santa Fe Institute, Santa Fe, New Mexico.

  7. Self-organizing map models of language acquisition

    Science.gov (United States)

    Li, Ping; Zhao, Xiaowei

    2013-01-01

    Connectionist models have had a profound impact on theories of language. While most early models were inspired by the classic parallel distributed processing architecture, recent models of language have explored various other types of models, including self-organizing models for language acquisition. In this paper, we aim at providing a review of the latter type of models, and highlight a number of simulation experiments that we have conducted based on these models. We show that self-organizing connectionist models can provide significant insights into long-standing debates in both monolingual and bilingual language development. We suggest future directions in which these models can be extended, to better connect with behavioral and neural data, and to make clear predictions in testing relevant psycholinguistic theories. PMID:24312061

  8. Electron beam treatment of organic pollutants contained in gaseous streams. 1. RCM report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    Volatile Organic Compounds (VOC) and Polyaromatic Hydrocarbons (PAH) are emitted in different processes, mostly combustion-based ones applied in power, chemical and metallurgical industries, municipal wastes incineration, etc. Many of them are persistent in environment, so called Persistent Organic Pollutants (POPs). They are responsible for ozone layer depletion, ground level and photochemical smog formation, contribute to the greenhouse effect, most of them being carcinogenic or/and mutagenic. Some tests performed in different countries have shown that electron beam technology can be a promising technique in these applications. Good removing efficiency for chlorohydrocarbons, dioxins and PAH was demonstrated in the laboratory scale. Different hybrid techniques like eb/absorption or eb/catalysis were studied as well. However, due to the different product formation, this technique should be studied carefully further concerning process mechanism, analyses of products and possible technical solution applications. The present CRP aiming at development of laboratory and pilot plant methodologies for comparative evaluation of degradation effects of organic pollutants in gaseous phase. Theoretical and experimental investigations of the mechanisms of the processes are part of the research work. Limitation of formation of toxic byproducts, modification of physical and chemical properties, application of hybrid processes (eb/catalytist) are important topics for further development under the CRP. The CRP has been launched with the objectives of developing analytical techniques for better understanding of degradation effects of organic pollutants in gaseous phase and technologies (processing conditions) to control these emissions. It is anticipated that through collaborative and cooperative research efforts of the participants, new analytical methods to study the process and strategies to apply electron beam to address these emissions will be developed. The executive summary

  9. Electron beam treatment of organic pollutants contained in gaseous streams. 1. RCM report

    International Nuclear Information System (INIS)

    2005-01-01

    Volatile Organic Compounds (VOC) and Polyaromatic Hydrocarbons (PAH) are emitted in different processes, mostly combustion-based ones applied in power, chemical and metallurgical industries, municipal wastes incineration, etc. Many of them are persistent in environment, so called Persistent Organic Pollutants (POPs). They are responsible for ozone layer depletion, ground level and photochemical smog formation, contribute to the greenhouse effect, most of them being carcinogenic or/and mutagenic. Some tests performed in different countries have shown that electron beam technology can be a promising technique in these applications. Good removing efficiency for chlorohydrocarbons, dioxins and PAH was demonstrated in the laboratory scale. Different hybrid techniques like eb/absorption or eb/catalysis were studied as well. However, due to the different product formation, this technique should be studied carefully further concerning process mechanism, analyses of products and possible technical solution applications. The present CRP aiming at development of laboratory and pilot plant methodologies for comparative evaluation of degradation effects of organic pollutants in gaseous phase. Theoretical and experimental investigations of the mechanisms of the processes are part of the research work. Limitation of formation of toxic byproducts, modification of physical and chemical properties, application of hybrid processes (eb/catalytist) are important topics for further development under the CRP. The CRP has been launched with the objectives of developing analytical techniques for better understanding of degradation effects of organic pollutants in gaseous phase and technologies (processing conditions) to control these emissions. It is anticipated that through collaborative and cooperative research efforts of the participants, new analytical methods to study the process and strategies to apply electron beam to address these emissions will be developed. The executive summary

  10. Reduction of organic solvent emission by industrial use of electron-beam curable coatings

    International Nuclear Information System (INIS)

    Haering, E.

    1982-01-01

    Most industrial finishing processes operate by the use of liquid organic coating materials drying by solvent evaporation and subsequent chemical crosslinking reactions, in many cases also releasing cleavage products. These organic emissions contribute to air pollution and therefore many countries have issued restrictions in order to protect the environment. Complementary to other modern methods for reducing this problem, radiation chemistry enables an approach by radical chain polymerization which can be induced by exposure to electron radiation. This procedure is known as electron-beam curing of coatings or the EBC process. It utilizes well-developed accelerator equipment with voltages of 150 to 400kV at a minimum energy consumption. There is no necessity to use irradiation facilities based on the decay of radioisotopes. Free radical polymerization requires unsaturated resins as pain binders and polymerizable liquid compounds (monomers) as reactive diluents. Their crosslinking yields a high molecular network, the coating, without any emission of organic solvents or cleavage products. Moreover, the radiochemical formation of the paint film occurs extremely rapidly. The technical application of EBC coatings began by coating automotive plastic parts; a little later the finishing of wood products gained more industrial use as a non-polluting and energy-saving coating technology. Application methods in coating plastic foils in combination with vacuum metallizing and the production of decorative laminating papers for furniture followed. In 1981 new EBC pilot lines were installed for curing top coats on PVC foil and also for the coating of prefinished steel wheels for automobiles. In comparison with conventional solvent-based methods the industrial EBC process results in a nearly complete reduction of organic solvent emission avoiding air pollution and saving valuable petrochemical raw materials. This paper reviews the development of EBC during the last decade. (author)

  11. Two-point model for electron transport in EBT

    International Nuclear Information System (INIS)

    Chiu, S.C.; Guest, G.E.

    1980-01-01

    The electron transport in EBT is simulated by a two-point model corresponding to the central plasma and the edge. The central plasma is assumed to obey neoclassical collisionless transport. The edge plasma is assumed turbulent and modeled by Bohm diffusion. The steady-state temperatures and densities in both regions are obtained as functions of neutral influx and microwave power. It is found that as the neutral influx decreases and power increases, the edge density decreases while the core density increases. We conclude that if ring instability is responsible for the T-M mode transition, and if stability is correlated with cold electron density at the edge, it will depend sensitively on ambient gas pressure and microwave power

  12. Access Control Model for Sharing Composite Electronic Health Records

    Science.gov (United States)

    Jin, Jing; Ahn, Gail-Joon; Covington, Michael J.; Zhang, Xinwen

    The adoption of electronically formatted medical records, so called Electronic Health Records (EHRs), has become extremely important in healthcare systems to enable the exchange of medical information among stakeholders. An EHR generally consists of data with different types and sensitivity degrees which must be selectively shared based on the need-to-know principle. Security mechanisms are required to guarantee that only authorized users have access to specific portions of such critical record for legitimate purposes. In this paper, we propose a novel approach for modelling access control scheme for composite EHRs. Our model formulates the semantics and structural composition of an EHR document, from which we introduce a notion of authorized zones of the composite EHR at different granularity levels, taking into consideration of several important criteria such as data types, intended purposes and information sensitivities.

  13. Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach

    DEFF Research Database (Denmark)

    Nørby, Morten S; Olsen, Jógvan Magnus Haugaard; Steinmann, Casper

    2017-01-01

    We present a systematic investigation of the key components needed to model single chromophore electronic circular dichroism (ECD) within the polarizable embedding (PE) approach. By relying on accurate forms of the embedding potential, where especially the inclusion of local field effects...... are in focus, we show that qualitative agreement between rotatory strength parameters calculated by full quantum mechanical calculations and the more efficient embedding calculations can be obtained. An important aspect in the computation of reliable absorption parameters is the need for conformational...... sampling. We show that a significant number of snapshots are needed to avoid artifacts in the calculated electronic circular dichroism parameters due to insufficient configurational sampling, thus highlighting the efficiency of the PE model....

  14. 3D Printing of Plant Golgi Stacks from Their Electron Tomographic Models.

    Science.gov (United States)

    Mai, Keith Ka Ki; Kang, Madison J; Kang, Byung-Ho

    2017-01-01

    Three-dimensional (3D) printing is an effective tool for preparing tangible 3D models from computer visualizations to assist in scientific research and education. With the recent popularization of 3D printing processes, it is now possible for individual laboratories to convert their scientific data into a physical form suitable for presentation or teaching purposes. Electron tomography is an electron microscopy method by which 3D structures of subcellular organelles or macromolecular complexes are determined at nanometer-level resolutions. Electron tomography analyses have revealed the convoluted membrane architectures of Golgi stacks, chloroplasts, and mitochondria. But the intricacy of their 3D organizations is difficult to grasp from tomographic models illustrated on computer screens. Despite the rapid development of 3D printing technologies, production of organelle models based on experimental data with 3D printing has rarely been documented. In this chapter, we present a simple guide to creating 3D prints of electron tomographic models of plant Golgi stacks using the two most accessible 3D printing technologies.

  15. Labour Quality Model for Organic Farming Food Chains

    OpenAIRE

    Gassner, B.; Freyer, B.; Leitner, H.

    2008-01-01

    The debate on labour quality in science is controversial as well as in the organic agriculture community. Therefore, we reviewed literature on different labour quality models and definitions, and had key informant interviews on labour quality issues with stakeholders in a regional oriented organic agriculture bread food chain. We developed a labour quality model with nine quality categories and discussed linkages to labour satisfaction, ethical values and IFOAM principles.

  16. Xanthusbase: adapting wikipedia principles to a model organism database

    OpenAIRE

    Arshinoff, Bradley I.; Suen, Garret; Just, Eric M.; Merchant, Sohel M.; Kibbe, Warren A.; Chisholm, Rex L.; Welch, Roy D.

    2006-01-01

    xanthusBase () is the official model organism database (MOD) for the social bacterium Myxococcus xanthus. In many respects, M.xanthus represents the pioneer model organism (MO) for studying the genetic, biochemical, and mechanistic basis of prokaryotic multicellularity, a topic that has garnered considerable attention due to the significance of biofilms in both basic and applied microbiology research. To facilitate its utility, the design of xanthusBase incorporates open-source software, leve...

  17. Development and evaluation of a skin organ model for the analysis of radiation effects

    International Nuclear Information System (INIS)

    Meineke, V.; Mueller, K.; Ridi, R.; Cordes, N.; Beuningen, D. van; Koehn, F.M.; Ring, J.; Mayerhofer, A.

    2004-01-01

    Background and purpose: the reaction of tissues to ionizing radiation involves alterations in cell-cell and cell-matrix interactions mediated by cellular adhesion molecules. The aim of this study was to develop and evaluate an artificial skin organ model for the analysis of radiation effects. Material and methods: a human co-culture system consisting of the spontaneously immortalized keratinocyte cell line HaCaT and primary HDFa fibroblasts embedded into a collagen sponge was established. This skin organ model has been characterized and evaluated for its suitability for radiobiological investigations. For that purpose, expression of β 1 -integrin following irradiation was compared in the skin organ model and in HaCaT monolayer cells (FACScan and immunohistochemistry). Furthermore, the influence of ionizing radiation on DNA fragmentation was investigated in the skin organ model (TUNEL assay). Results: the novel skin organ model showed characteristics of human skin as demonstrated by cytokeratin and Ki-67 immunoreactivity and by electron microscopy. A single dose of 5 Gy X-irradiation induced an upregulation of β 1 -integrin expression both in the skin organ model and in HaCaT cells. Following irradiation, β 1 -integrin immunoreactivity was intensified in the upper layers of the epidermis equivalent whereas it was almost absent in the deeper layers. Additionally, irradiation of the skin organ model also caused a marked increase of DNA fragmentation. Conclusion: these results demonstrate that the novel skin organ model is suitable to investigate cellular radiation effects under three-dimensional conditions. This allows to investigate radiation effects which cannot be demonstrated in monolayer cell cultures. (orig.)

  18. Electron transport and noise spectroscopy in organic magnetic tunnel junctions with PTCDA and Alq3 barriers

    Science.gov (United States)

    Martinez, Isidoro; Cascales, Juan Pedro; Hong, Jhen-Yong; Lin, Minn-Tsong; Prezioso, Mirko; Riminucci, Alberto; Dediu, Valentin A.; Aliev, Farkhad G.

    2016-10-01

    The possible influence of internal barrier dynamics on spin, charge transport and their fluctuations in organic spintronics remains poorly understood. Here we present investigation of the electron transport and low frequency noise at temperatures down to 0.3K in magnetic tunnel junctions with an organic PTCDA barriers with thickness up to 5 nm in the tunneling regime and with 200 nm thick Alq3 barrier in the hopping regime. We observed high tunneling magneto-resistance at low temperatures (15-40%) and spin dependent super-poissonian shot noise in organic magnetic tunnel junctions (OMTJs) with PTCDA. The Fano factor exceeds 1.5-2 values which could be caused by interfacial states controlled by spin dependent bunching in the tunneling events through the molecules.1 The bias dependence of the low frequency noise in OMTJs with PTCDA barriers which includes both 1/f and random telegraph noise activated at specific biases will also be discussed. On the other hand, the organic junctions with ferromagnetic electrodes and thick Alq3 barriers present sub-poissonian shot noise which depends on the temperature, indicative of variable range hopping.

  19. Use of mathematical modelling in electron beam processing: A guidebook

    International Nuclear Information System (INIS)

    2010-01-01

    The use of electron beam irradiation for industrial applications, like the sterilization of medical devices or cross-linking of polymers, has a long and successful track record and has proven itself to be a key technology. Emerging fields, including environmental applications of ionizing radiation, the sterilization of complex medical and pharmaceutical products or advanced material treatment, require the design and control of even more complex irradiators and irradiation processes. Mathematical models can aid the design process, for example by calculating absorbed dose distributions in a product, long before any prototype is built. They support process qualification through impact assessment of process variable uncertainties, and can be an indispensable teaching tool for technologists in training in the use of radiation processing. The IAEA, through various mechanisms, including its technical cooperation programme, coordinated research projects, technical meetings, guidelines and training materials, is promoting the use of radiation technologies to minimize the effects of harmful contaminants and develop value added products originating from low cost natural and human made raw materials. The need to publish a guidebook on the use of mathematical modelling for design processes in the electron beam treatment of materials was identified through the increased interest of radiation processing laboratories in Member States and as a result of recommendations from several IAEA expert meetings. In response, the IAEA has prepared this report using the services of an expert in the field. This publication should serve as both a guidebook and introductory tutorial for the use of mathematical modelling (using mostly Monte Carlo methods) in electron beam processing. The emphasis of this guide is on industrial irradiation methodologies with a strong reference to existing literature and applicable standards. Its target audience is readers who have a basic understanding of electron

  20. Transverse Momentum Distributions of Electron in Simulated QED Model

    Science.gov (United States)

    Kaur, Navdeep; Dahiya, Harleen

    2018-05-01

    In the present work, we have studied the transverse momentum distributions (TMDs) for the electron in simulated QED model. We have used the overlap representation of light-front wave functions where the spin-1/2 relativistic composite system consists of spin-1/2 fermion and spin-1 vector boson. The results have been obtained for T-even TMDs in transverse momentum plane for fixed value of longitudinal momentum fraction x.

  1. GUI-Based Document Access via SATCOMMS: Online Electronic Document Retrieval at the European Telecommunications Satellite Organization EUTELSAT.

    Science.gov (United States)

    Burton, Adrian P.

    1995-01-01

    Discusses accessing online electronic documents at the European Telecommunications Satellite Organization (EUTELSAT). Highlights include off-site paper document storage, the document management system, benefits, the EUTELSAT Standard IBM Access software, implementation, the development process, and future enhancements. (AEF)

  2. Knowledge Loss: A Defensive Model In Nuclear Research Organization Memory

    International Nuclear Information System (INIS)

    Mohamad Safuan Bin Sulaiman; Muhd Noor Muhd Yunus

    2013-01-01

    Knowledge is an essential part of research based organization. It should be properly managed to ensure that any pitfalls of knowledge retention due to knowledge loss of both tacit and explicit is mitigated. Audit of the knowledge entities exist in the organization is important to identify the size of critical knowledge. It is very much related to how much know-what, know-how and know-why experts exist in the organization. This study conceptually proposed a defensive model for Nuclear Malaysia's organization memory and application of Knowledge Loss Risk Assessment (KLRA) as an important tool for critical knowledge identification. (author)

  3. NEW MODEL FOR QUANTIFICATION OF ICT DEPENDABLE ORGANIZATIONS RESILIENCE

    Directory of Open Access Journals (Sweden)

    Zora Arsovski

    2011-03-01

    Full Text Available Business environment today demands high reliable organizations in every segment to be competitive on the global market. Beside that, ICT sector is becoming irreplaceable in many fields of business, from the communication to the complex systems for process control and production. To fulfill those requirements and to develop further, many organizations worldwide are implementing business paradigm called - organizations resilience. Although resilience is well known term in many science fields, it is not well studied due to its complex nature. This paper is dealing with developing the new model for assessment and quantification of ICT dependable organizations resilience.

  4. Structural Dependence of Electronic Properties in A-A-D-A-A-Type Organic Solar Cell Material

    Directory of Open Access Journals (Sweden)

    Ram S. Bhatta

    2015-01-01

    Full Text Available Small conjugated molecules (SCMs are promising candidates for organic photovoltaic (OPV devices because of their structural simplicity, well control over synthetic reproducibility, and low purification cost. However, industrial development of SCM-based OPV devices requires improving their performance, which in turn relies on the fundamental understanding of structural dependence of electronic properties of SCMs. Herein, we report the structural and electronic properties of the BCNDTS molecule as a model system for acceptor-acceptor-donor-acceptor-acceptor (A-A-D-A-A type SCMs, using density functional theory (DFT and time-dependent DFT methods. Systematic calculations of two-dimensional potential energy surfaces, molecular electrostatic potential surfaces, ground state frontier molecular orbital energies, and the vertical excitation energies are performed. We found that the lowest energy conformation of the BCNDTS molecule is planar. The planar conformation favors the lowest ground state and the excited state energies as well as the strongest oscillator strength. The present results suggest that SCMs containing central dithienosilole cores connected with 2,1,3-benzothiadiazole groups have potential to be an efficient electron donor for OPV devices.

  5. PROCESS DOCUMENTATION: A MODEL FOR KNOWLEDGE MANAGEMENT IN ORGANIZATIONS.

    Science.gov (United States)

    Haddadpoor, Asefeh; Taheri, Behjat; Nasri, Mehran; Heydari, Kamal; Bahrami, Gholamreza

    2015-10-01

    documentation. A documentation program can create a complete identifier for every process of an organization and also acts as the main tool for establishment of information technology as the basis of the organization and helps achieve the goal of having electronic and information technology based organizations. In other words documentation is the starting step in creating an organizational architecture. Afterwards, in order to reach the desired goal of documentation, computer software containing all tools, methods, instructions and guidelines and implicit knowledge of the organization was designed. This software links all relevant knowledge to the main text of the documentation and identification of a process and provides the users with electronic versions of all documentations and helps use the explicit and implicit knowledge of the organization to facilitate the reengineering of the processes in the organization.

  6. Enhanced angular overlap model for nonmetallic f -electron systems

    Science.gov (United States)

    Gajek, Z.

    2005-07-01

    An efficient method of interpretation of the crystal field effect in nonmetallic f -electron systems, the enhanced angular overlap model (EAOM), is presented. The method is established on the ground of perturbation expansion of the effective Hamiltonian for localized electrons and first-principles calculations related to available experimental data. The series of actinide compounds AO2 , oxychalcogenides AOX , and dichalcogenides UX2 where X=S ,Se,Te and A=U ,Np serve as probes of the effectiveness of the proposed method. An idea is to enhance the usual angular overlap model with ab initio calculations of those contributions to the crystal field potential, which cannot be represented by the usual angular overlap model (AOM). The enhancement leads to an improved fitting and makes the approach intrinsically coherent. In addition, the ab initio calculations of the main, AOM-consistent part of the crystal field potential allows one to fix the material-specific relations for the EAOM parameters in the effective Hamiltonian. Consequently, the electronic structure interpretation based on EAOM can be extended to systems of the lowest point symmetries or/and deficient experimental data. Several examples illustrating the promising capabilities of EAOM are given.

  7. A model to accumulate fractionated dose in a deforming organ

    International Nuclear Information System (INIS)

    Yan Di; Jaffray, D.A.; Wong, J.W.

    1999-01-01

    Purpose: Measurements of internal organ motion have demonstrated that daily organ deformation exists throughout the course of radiation treatment. However, a method of constructing the resultant dose delivered to the organ volume remains a difficult challenge. In this study, a model to quantify internal organ motion and a method to construct a cumulative dose in a deforming organ are introduced. Methods and Materials: A biomechanical model of an elastic body is used to quantify patient organ motion in the process of radiation therapy. Intertreatment displacements of volume elements in an organ of interest is calculated by applying an finite element method with boundary conditions, obtained from multiple daily computed tomography (CT) measurements. Therefore, by incorporating also the measurements of daily setup error, daily dose delivered to a deforming organ can be accumulated by tracking the position of volume elements in the organ. Furthermore, distribution of patient-specific organ motion is also predicted during the early phase of treatment delivery using the daily measurements, and the cumulative dose distribution in the organ can then be estimated. This dose distribution will be updated whenever a new measurement becomes available, and used to reoptimize the ongoing treatment. Results: An integrated process to accumulate dosage in a daily deforming organ was implemented. In this process, intertreatment organ motion and setup error were systematically quantified, and incorporated in the calculation of the cumulative dose. An example of the rectal wall motion in a prostate treatment was applied to test the model. The displacements of volume elements in the rectal wall, as well as the resultant doses, were calculated. Conclusion: This study is intended to provide a systematic framework to incorporate daily patient-specific organ motion and setup error in the reconstruction of the cumulative dose distribution in an organ of interest. The realistic dose

  8. Model potential for the description of metal/organic interface states

    Science.gov (United States)

    Armbrust, Nico; Schiller, Frederik; Güdde, Jens; Höfer, Ulrich

    2017-01-01

    We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of π-conjugated organic molecules. The model utilizes graphene as a universal representation of these organic adlayers. It predicts the energy position of the interface state as well as the overlap of its wave function with the bulk metal without free fitting parameters. We show that the energy of the interface state depends systematically on the bond distance between the carbon backbone of the adayers and the metal. The general applicability and robustness of the model is demonstrated by a comparison of the calculated energies with numerous experimental results for a number of flat-lying organic molecules on different closed-packed metal surfaces that cover a large range of bond distances. PMID:28425444

  9. Electronic structure description of the cis-MoOS unit in models for molybdenum hydroxylases.

    Science.gov (United States)

    Doonan, Christian J; Rubie, Nick D; Peariso, Katrina; Harris, Hugh H; Knottenbelt, Sushilla Z; George, Graham N; Young, Charles G; Kirk, Martin L

    2008-01-09

    The molybdenum hydroxylases catalyze the oxidation of numerous aromatic heterocycles and simple organics and, unlike other hydroxylases, utilize water as the source of oxygen incorporated into the product. The electronic structures of the cis-MoOS units in CoCp2[TpiPrMoVOS(OPh)] and TpiPrMoVIOS(OPh) (TpiPr = hydrotris(3-isopropylpyrazol-1-yl)borate), new models for molybdenum hydroxylases, have been studied in detail using S K-edge X-ray absorption spectroscopy, vibrational spectroscopy, and detailed bonding calculations. The results show a highly delocalized Mo=S pi* LUMO redox orbital that is formally Mo(dxy) with approximately 35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-Ssulfido bond order changes in the cis-MoOS units as a function of redox state. Results support a redox active molecular orbital that has a profound influence on MoOS bonding through changes to the relative electro/nucleophilicity of the terminal sulfido ligand accompanying oxidation state changes. The bonding description for these model cis-MoOS systems supports enzyme mechanisms that are under orbital control and dominantly influenced by the unique electronic structure of the cis-MoOS site. The electronic structure of the oxidized enzyme site is postulated to play a role in polarizing a substrate carbon center for nucleophilic attack by metal activated water and acting as an electron sink in the two-electron oxidation of substrates.

  10. Effects of energy, distance and orientation on electron transfer rates studied by pulse radiolysis in organic media

    International Nuclear Information System (INIS)

    Miller, J.R.

    1987-01-01

    In the past few years the methods of radiation chemistry in organic media have made an enormous change in how we view electron transfer processes, as these media have proved the most useful for studying long distance electron transfer between molecules. This paper briefly summarizes a few of the aspects of this area and discusses some of the attributes and limitations of radiation tehniques, particularly pulse radiolysis, in organic solvents. 14 refs., 2 figs

  11. Charge carrier relaxation model in disordered organic semiconductors

    International Nuclear Information System (INIS)

    Lu, Nianduan; Li, Ling; Sun, Pengxiao; Liu, Ming

    2013-01-01

    The relaxation phenomena of charge carrier in disordered organic semiconductors have been demonstrated and investigated theoretically. An analytical model describing the charge carrier relaxation is proposed based on the pure hopping transport theory. The relation between the material disorder, electric field and temperature and the relaxation phenomena has been discussed in detail, respectively. The calculated results reveal that the increase of electric field and temperature can promote the relaxation effect in disordered organic semiconductors, while the increase of material disorder will weaken the relaxation. The proposed model can explain well the stretched-exponential law by adopting the appropriate parameters. The calculation shows a good agreement with the experimental data for organic semiconductors

  12. A model for hot electron phenomena: Theory and general results

    International Nuclear Information System (INIS)

    Carrillo, J.L.; Rodriquez, M.A.

    1988-10-01

    We propose a model for the description of the hot electron phenomena in semiconductors. Based on this model we are able to reproduce accurately the main characteristics observed in experiments of electric field transport, optical absorption, steady state photoluminescence and relaxation process. Our theory does not contain free nor adjustable parameters, it is very fast computerwise, and incorporates the main collision mechanisms including screening and phonon heating effects. Our description on a set of nonlinear rate equations in which the interactions are represented by coupling coefficients or effective frequencies. We calculate three coefficients from the characteristic constants and the band structure of the material. (author). 22 refs, 5 figs, 1 tab

  13. Modeling of the atomic and electronic structures of interfaces

    International Nuclear Information System (INIS)

    Sutton, A.P.

    1988-01-01

    Recent tight binding and Car-Parrinello simulations of grain boundaries in semiconductors are reviewed. A critique is given of some models of embrittlement that are based on electronic structure considerations. The structural unit model of grain boundary structure is critically assessed using some results for mixed tilt and twist grain boundaries. A new method of characterizing interfacial structure in terms of bond angle distribution functions is described. A new formulation of thermodynamic properties of interfaces is presented which focusses on the local atomic environment. Effective, temperature dependent N-body atomic interactions are derived for studying grain boundary structure at elevated temperature

  14. Towards model-based testing of electronic funds transfer systems

    OpenAIRE

    Asaadi, H.R.; Khosravi, R.; Mousavi, M.R.; Noroozi, N.

    2010-01-01

    We report on our first experience with applying model-based testing techniques to an operational Electronic Funds Transfer (EFT) switch. The goal is to test the conformance of the EFT switch to the standard flows described by the ISO 8583 standard. To this end, we first make a formalization of the transaction flows specified in the ISO 8583 standard in terms of a Labeled Transition System (LTS). This formalization paves the way for model-based testing based on the formal notion of Input-Outpu...

  15. Fuse Modeling for Reliability Study of Power Electronic Circuits

    DEFF Research Database (Denmark)

    Bahman, Amir Sajjad; Iannuzzo, Francesco; Blaabjerg, Frede

    2017-01-01

    This paper describes a comprehensive modeling approach on reliability of fuses used in power electronic circuits. When fuses are subjected to current pulses, cyclic temperature stress is introduced to the fuse element and will wear out the component. Furthermore, the fuse may be used in a large......, and rated voltage/current are opposed to shift in time to effect early breaking during the normal operation of the circuit. Therefore, in such cases, a reliable protection required for the other circuit components will not be achieved. The thermo-mechanical models, fatigue analysis and thermo...

  16. Electronic properties and chemistry of metal / organic semiconductor/ S-GaAs(100) heterosructures

    Energy Technology Data Exchange (ETDEWEB)

    Gavrila, G.N.

    2005-10-21

    in the framework of this thesis three perylene derivates are applied as interlayers in metal/organic layer/S-GaAs(100) heterostructures. The aim of this thesis is to prove the influence of different chemical end-groups on the electronic and chemical properties of the interfaces, as well as the molecular orientation in the organic layers. The molecules 3,4,9,10-perylene tetracarbonic acid dianhydride (PTCDA), 3,4,9,10-perylene tetracarbonic acid diimide (PTCDI), and dimethyl-3,4,9,10-perylene tetracarbonic acid diimide (DiMe-PTCDI) were evaporated by organic molecular beam deposition (OMBD) in the ultrahigh vacuum on sulfur-passivated GaAs(001):2 x 1 substrates. Surface-sensitive characterization procedures as photoemission spectroscopy (PES), inverse photoemission spectroscopy (IPES), and near-edge X-ray fine-structure measurements (NEXAFS) were applied for the characterization. Theoretical calculations by means of the density-functional methods were performed, in order to allow an assignment of different components in core-level spectra. The NEXAFS spectra allow a precise determination of the molecule orientation in relation to the substrate. So it can be proved that a small change of chemical end-groups for instance in DiMe-PTCDI compared with PTCDI causes a dramatic change of the molecule orientation. The valence-band spectra of DiMe-PTCDI show an energetic dispersion of 0.2 eV, which can be assigned to a {pi}-orbital overlap and covers the formation of valence bands. The energy-level fitting to the organic-layer/S-GaAs interface as well as the transport band gap of PTCDI, DiMe-PTCDI, and PTCDA were deteminde by means of PES and IPES. The electronic, chemical, and structural properties of metal/organic-layer interfaces were studied by means of core-level spectroscopy and NEXAFS. Mg reacts strongly with the end-groups of PTCDA AND ptcdi, while the In atoms contribute to a charge-transfer process with the perylene cores of all three molecules, whereby the

  17. Visualizing electron dynamics in organic materials: Charge transport through molecules and angular resolved photoemission

    Science.gov (United States)

    Kümmel, Stephan

    Being able to visualize the dynamics of electrons in organic materials is a fascinating perspective. Simulations based on time-dependent density functional theory allow to realize this hope, as they visualize the flow of charge through molecular structures in real-space and real-time. We here present results on two fundamental processes: Photoemission from organic semiconductor molecules and charge transport through molecular structures. In the first part we demonstrate that angular resolved photoemission intensities - from both theory and experiment - can often be interpreted as a visualization of molecular orbitals. However, counter-intuitive quantum-mechanical electron dynamics such as emission perpendicular to the direction of the electrical field can substantially alter the picture, adding surprising features to the molecular orbital interpretation. In a second study we calculate the flow of charge through conjugated molecules. The calculations show in real time how breaks in the conjugation can lead to a local buildup of charge and the formation of local electrical dipoles. These can interact with neighboring molecular chains. As a consequence, collections of ''molecular electrical wires'' can show distinctly different characteristics than ''classical electrical wires''. German Science Foundation GRK 1640.

  18. Electron beam induced strong organic/inorganic grafting for thermally stable lithium-ion battery separators

    Science.gov (United States)

    Choi, Yunah; Kim, Jin Il; Moon, Jungjin; Jeong, Jongyeob; Park, Jong Hyeok

    2018-06-01

    A tailored interface between organic and inorganic materials is of great importance to maximize the synergistic effects from hybridization. Polyethylene separators over-coated with inorganic thin films are the state-of-the art technology for preparing various secondary batteries with high safety. Unfortunately, the organic/inorganic hybrid separators have the drawback of a non-ideal interface, thus causing poor thermal/dimensional stability. Here, we report a straightforward method to resolve the drawback of the non-ideal interface between vapor deposited SiO2 and polyethylene separators, to produce a highly stable lithium-ion battery separator through strong chemical linking generated by direct electron beam irradiation. The simple treatment with an electron beam with an optimized dose generates thermally stable polymer separators, which may enhance battery safety under high-temperature conditions. Additionally, the newly formed Si-O-C or Si-CH3 chemical bonding enhances electrolyte-separator compatibility and thus may provide a better environment for ionic transport between the cathode and anode, thereby leading to better charge/discharge behaviors.

  19. Energy resolved electrochemical impedance spectroscopy for electronic structure mapping in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Nádaždy, V., E-mail: nadazdy@savba.sk; Gmucová, K. [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Schauer, F. [Faculty of Education, Trnava University in Trnava, 918 43 Trnava (Slovakia); Faculty of Applied Informatics, Tomas Bata University in Zlin, 760 05 Zlin (Czech Republic)

    2014-10-06

    We introduce an energy resolved electrochemical impedance spectroscopy method to map the electronic density of states (DOS) in organic semiconductor materials. The method consists in measurement of the charge transfer resistance of a semiconductor/electrolyte interface at a frequency where the redox reactions determine the real component of the impedance. The charge transfer resistance value provides direct information about the electronic DOS at the energy given by the electrochemical potential of the electrolyte, which can be adjusted using an external voltage. A simple theory for experimental data evaluation is proposed, along with an explanation of the corresponding experimental conditions. The method allows mapping over unprecedentedly wide energy and DOS ranges. Also, important DOS parameters can be determined directly from the raw experimental data without the lengthy analysis required in other techniques. The potential of the proposed method is illustrated by tracing weak bond defect states induced by ultraviolet treatment above the highest occupied molecular orbital in a prototypical σ-conjugated polymer, poly[methyl(phenyl)silylene]. The results agree well with those of our previous DOS reconstruction by post-transient space-charge-limited-current spectroscopy, which was, however, limited to a narrow energy range. In addition, good agreement of the DOS values measured on two common π-conjugated organic polymer semiconductors, polyphenylene vinylene and poly(3-hexylthiophene), with the rather rare previously published data demonstrate the accuracy of the proposed method.

  20. Modelling the fate of organic micropollutants in stormwater ponds

    DEFF Research Database (Denmark)

    Vezzaro, Luca; Eriksson, Eva; Ledin, Anna

    2011-01-01

    ). The four simulated organic stormwater MP (iodopropynyl butylcarbamate — IPBC, benzene, glyphosate and pyrene) were selected according to their different urban sources and environmental fate. This ensures that the results can be extended to other relevant stormwater pollutants. All three models use......Urban water managers need to estimate the potential removal of organic micropollutants (MP) in stormwater treatment systems to support MP pollution control strategies. This study documents how the potential removal of organic MP in stormwater treatment systems can be quantified by using multimedia...... models. The fate of four different MP in a stormwater retention pond was simulated by applying two steady-state multimedia fate models (EPI Suite and SimpleBox) commonly applied in chemical risk assessment and a dynamic multimedia fate model (Stormwater Treatment Unit Model for Micro Pollutants — STUMP...