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Sample records for model organism electronic

  1. Modeling of Electronic Properties in Organic Semiconductor Device Structures

    Science.gov (United States)

    Chang, Hsiu-Chuang

    Organic semiconductors (OSCs) have recently become viable for a wide range of electronic devices, some of which have already been commercialized. With the mechanical flexibility of organic materials and promising performance of organic field effect transistors (OFETs) and organic bulk heterojunction devices, OSCs have been demonstrated in applications such as radio frequency identification tags, flexible displays, and photovoltaic cells. Transient phenomena play decisive roles in the performance of electronic devices and OFETs in particular. The dynamics of the establishment and depletion of the conducting channel in OFETs are investigated theoretically. The device structures explored resemble typical organic thin-film transistors with one of the channel contacts removed. By calculating the displacement current associated with charging and discharging of the channel in these capacitors, transient effects on the carrier transport in OSCs may be studied. In terms of the relevant models it is shown that the non-linearity of the process plays a key role. The non-linearity arises in the simplest case from the fact that channel resistance varies during the charging and discharging phases. Traps can be introduced into the models and their effects examined in some detail. When carriers are injected into the device, a conducting channel is established with traps that are initially empty. Gradual filling of the traps then modifies the transport characteristics of the injected charge carriers. In contrast, dc measurements as they are typically performed to characterize the transport properties of organic semiconductor channels investigate a steady state with traps partially filled. Numerical and approximate analytical models of the formation of the conducting channel and the resulting displacement currents are presented. For the process of transient carrier extraction, it is shown that if the channel capacitance is partially or completely discharged through the channel

  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. 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.

  4. 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.

  5. 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

  6. Electron crystallography of organic pigments

    Energy Technology Data Exchange (ETDEWEB)

    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 {beta}-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)

  7. 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)

  8. Interface engineering for organic electronics

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Hong; Yip, Hin-Lap; Jen, Alex K.Y. [Department of Materials Science and Engineering, University of Washington, Seattle, WA (United States); Huang, Fei [Department of Materials Science and Engineering, University of Washington, Seattle, WA (United States); Institute of Polymer Optoelectronic Materials and Devices College of Materials Science and Engineering, South China University of Technology Guangzhou (China)

    2010-05-10

    The field of organic electronics has been developed vastly in the past two decades due to its promise for low cost, lightweight, mechanical flexibility, versatility of chemical design and synthesis, and ease of processing. The performance and lifetime of these devices, such as organic light-emitting diodes (OLEDs), photovoltaics (OPVs), and field-effect transistors (OFETs), are critically dependent on the properties of both active materials and their interfaces. Interfacial properties can be controlled ranging from simple wettability or adhesion between different materials to direct modifications of the electronic structure of the materials. In this Feature Article, the strategies of utilizing surfactant-modified cathodes, hole-transporting buffer layers, and self-assembled monolayer (SAM)-modified anodes are highlighted. In addition to enabling the production of high-efficiency OLEDs, control of interfaces in both conventional and inverted polymer solar cells is shown to enhance their efficiency and stability; and the tailoring of source-drain electrode-semiconductor interfaces, dielectric-semiconductor interfaces, and ultrathin dielectrics is shown to allow for high-performance OFETs. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  9. 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

  10. Stationary Electron Atomic Model

    Science.gov (United States)

    Pressler, David E.

    1998-04-01

    I will present a novel theory concerning the position and nature of the electron inside the atom. This new concept is consistant with present experimental evidence and adheres strictly to the valence-shell electron-pair repulsion (VSEPR) model presently used in chemistry for predicting the shapes of molecules and ions. In addition, I will discuss the atomic model concept as being a true harmonic oscillator, periodic motion at resonant frequency which produces radiation at discrete frequencies or line spectra is possible because the electron is under the action of two restoring forces, electrostatic attraction and superconducting respulsion of the electron's magnetic field by the nucleus.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. Organic electronics: the endless frontier (Conference Presentation)

    Science.gov (United States)

    Kippelen, Bernard

    2016-10-01

    In this talk, we will discuss recent progress in a range of solid-state devices, including organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), sensors, organic solar cells, and photodetectors. We will present strategies to modify and stabilize the electronic properties of interfaces that can yield devices with improved performance and longer lifetime. Examples of recent studies to reduce the environmental footprint of this emerging technology will be provided. We will show that these advances can lead to disruptive innovations to address some of the world's greatest challenges.

  3. 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...

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

    NARCIS (Netherlands)

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

    2006-01-01

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

  5. Organic electronic devices with multiple solution-processed layers

    Science.gov (United States)

    Forrest, Stephen R.; Lassiter, Brian E.; Zimmerman, Jeramy D.

    2015-08-04

    A method of fabricating a tandem organic photosensitive device involves depositing a first layer of an organic electron donor type material film by solution-processing of the organic electron donor type material dissolved in a first solvent; depositing a first layer of an organic electron acceptor type material over the first layer of the organic electron donor type material film by a dry deposition process; depositing a conductive layer over the interim stack by a dry deposition process; depositing a second layer of the organic electron donor type material over the conductive layer by solution-processing of the organic electron donor type material dissolved in a second solvent, wherein the organic electron acceptor type material and the conductive layer are insoluble in the second solvent; depositing a second layer of an organic electron acceptor type material over the second layer of the organic electron donor type material film by a dry deposition process, resulting in a stack.

  6. 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

  7. 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)

  8. 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.

  9. Non-fullerene electron acceptors for organic photovoltaic devices

    Science.gov (United States)

    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.

  10. 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

  11. 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.

  12. Bias-induced insulator-metal transition in organic electronics

    Science.gov (United States)

    Wei, J. H.; Xie, S. J.; Mei, L. M.; Yan, YiJing

    2007-07-01

    The authors investigate the bias-induced insulator-metal transition in organic electronics devices on the basis of the Su-Schrieffer-Heeger model [W. P. Su et al., Phys. Rev. B 22, 2099 (1980)] combined with the nonequilibrium Green's function formalism. The insulator-metal transition is explained with the energy level crossover that eliminates the Peierls phase [R. Peierls, Quantum Theory of Solids (Oxford University Press, Oxford, 1955)] and delocalizes the electron states near the threshold voltage. This may account for the experimental observations on the devices that exhibit intrinsic bistable conductance switching with large on-off ratio.

  13. Light-responsive organic flashing electron ratchet.

    Science.gov (United States)

    Kedem, Ofer; Lau, Bryan; Ratner, Mark A; Weiss, Emily A

    2017-08-15

    Ratchets are nonequilibrium devices that produce directional motion of particles from nondirectional forces without using a bias, and are responsible for many types of biological transport, which occur with high yield despite strongly damped and noisy environments. Ratchets operate by breaking time-reversal and spatial symmetries in the direction of transport through application of a time-dependent potential with repeating, asymmetric features. This work demonstrates the ratcheting of electrons within a highly scattering organic bulk-heterojunction layer, and within a device architecture that enables the application of arbitrarily shaped oscillating electric potentials. Light is used to modulate the carrier density, which modifies the current with a nonmonotonic response predicted by theory. This system is driven with a single unbiased sine wave source, enabling the future use of natural oscillation sources such as electromagnetic radiation.

  14. 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.

  15. 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.

  16. Electronic Mailing List and Internet Forums - Tools for Management and Marketing within Educational Organizations

    OpenAIRE

    Dorin Cristian COITA; Maria Madela ABRUDAN

    2007-01-01

    This paper is about the use of Electronic Mailing List and Internet Forums as tools for managers within educational organizations. In the same time, some of concepts, ideas and models can be used in other business organizations, especially in service providing organizations. Understanding management requires both learning and practicing, directly experiencing. People involved in electronic networks are experiencing the alternative to real communication. We considered Electronic Mailing List a...

  17. 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

  18. 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...

  19. 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...

  20. Solvated Electrons in Organic Chemistry Laboratory

    Science.gov (United States)

    Ilich, Predrag-Peter; McCormick, Kathleen R.; Atkins, Adam D.; Mell, Geoffrey J.; Flaherty, Timothy J.; Bruck, Martin J.; Goodrich, Heather A.; Hefel, Aaron L.; Juranic, Nenad; Seleem, Suzanne

    2010-01-01

    A novel experiment is described in which solvated electrons in liquid ammonia reduce a benzyl alcohol carbon without affecting the aromatic ring. The reductive activity of solvated electrons can be partially or completely quenched through the addition of electron scavengers to the reaction mixture. The effectiveness of these scavengers was found…

  1. 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...

  2. 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.

  3. EDITORIAL: Flexible OLEDs and organic electronics Flexible OLEDs and organic electronics

    Science.gov (United States)

    Kim, Jang-Joo; Han, Min-Koo; Noh, Yong-Young

    2011-03-01

    Following the great discovery of the electrically conducting polymer, doped polyacetylene, which was honorably recognized in 2000 with the Nobel Prize in chemistry, conjugated molecules, i.e. organic semiconductors, have become an attractive class of active elements for various electronic or opto-electronic applications. Significant effort has been made in both academia and industry to investigate π-conjugated molecules for their unique electrical or opto-electrical properties over the last three decades. The discovery of electroluminescence in conjugated small molecules in 1982 and in polymers in 1989 was a major breakthrough, bringing those molecules to commercial applications within reach for the first time in (opto-)electronic devices, such as organic light-emitting diodes (OLEDs), photovoltaic cells (OPVs), and field-effect transistors (OFETs). Nowadays, we use OLED displays in everyday life in mobile devices. The potential of these devices, which have been fabricated with conjugated molecules, lies in the possibility to combine the advantages of solution processability, chemical tunability and material strength of polymers with the typical properties of plastics, to realize low-cost, large-area electronic devices on flexible substrates by solution deposition and direct-write graphic art printing techniques. The articles in the flexible OLEDs and organic electronics special issue in Semiconductor Science and Technology deal with a diversity of topics and effectively reflect the current status of research from all over the world on various organic electronic devices, including OLEDs, OPVs, and OFETs. Firstly, S Park et al describe the recent progress in thin-film encapsulation techniques for flexible AM-OLED and large-area OLED lightings, and their applications are discussed by J-W Park et al. Flexible active-matrix OLEDs on plastics require stable and flexible thin-film transistors processed at low temperature. Metal oxide thin-film transistors are proposed

  4. 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, low-cost

  5. 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.

  6. 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.

  7. Comparing Electronic Human Resource Management Systems Efficiency In Production Organization amp Service Organizations

    Directory of Open Access Journals (Sweden)

    Ali Hadian

    2015-08-01

    Full Text Available Today the organizations used information technology in performing human resource department affairs and this is called as electronic human resource management EHRM. In fact as the competitive complexity increases the need for implementing EHRM in production and service businesses increases too. This paper is written in order to specify the importance of implementing EHRM in production and service organizations and also to evaluate efficiency rate and the importance degree in these two ones. In this paper first the topics literature and the most important aspects of implementing these systems will be reviewed and after categorizing these views the hierarchal model will be proposed by applying AHP method. The result of analyzing this model by EXPERT CHOICE software shows that implementing EHRM in both kinds of organizations has the same importance however there is a large difference between them in implementing aspects.

  8. 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.

  9. Electronics design office organization, methods and tools

    CERN Document Server

    Van der Bij, E

    2004-01-01

    The group TS-DEM offers a global service for the design, manufacturing and assembly of electronics modules for several hundreds of electronics engineers at CERN and its collaborating institutes. The Design Office in DEM determines and controls an overall planning, defines the resources required, solves the technical aspects and invoices the whole project. This involves technical resources provided by service contracts and supply contracts, but also negotiations with clients to be able to provide realistic plannings while still being able to handle urgent cases and high-workload periods.

  10. Substituent constant for drug design studies based on properties of organic electron donor--acceptor complexes.

    Science.gov (United States)

    Foster, R; Hyde, R M; Livingstone, D J

    1978-09-01

    A new model chemical system based on organic electron donor--aceptor complexes is described. From values of equilibrium constants measured by an NMR technique, a predictable parameter for use in quantitative structure--activity relationship techiques is discussed.

  11. 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

  12. 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.

  13. 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

  14. 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

    We report the interface energetics of decacyclene trianhydride (DTA) monolayers on top of two distinct model surfaces, namely, Au(111) and Ag(111). On the latter, combined valence band photoemission and X-ray absorption measurements that access the occupied and unoccupied molecular orbitals......, 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...

  15. 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

  16. 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...

  17. Ontological modeling of electronic health information exchange.

    Science.gov (United States)

    McMurray, J; Zhu, L; McKillop, I; Chen, H

    2015-08-01

    Investments of resources to purposively improve the movement of information between health system providers are currently made with imperfect information. No inventories of system-level electronic health information flows currently exist, nor do measures of inter-organizational electronic information exchange. Using Protégé 4, an open-source OWL Web ontology language editor and knowledge-based framework, we formalized a model that decomposes inter-organizational electronic health information flow into derivative concepts such as diversity, breadth, volume, structure, standardization and connectivity. The ontology was populated with data from a regional health system and the flows were measured. Individual instance's properties were inferred from their class associations as determined by their data and object property rules. It was also possible to visualize interoperability activity for regional analysis and planning purposes. A property called Impact was created from the total number of patients or clients that a health entity in the region served in a year, and the total number of health service providers or organizations with whom it exchanged information in support of clinical decision-making, diagnosis or treatment. Identifying providers with a high Impact but low Interoperability score could assist planners and policy-makers to optimize technology investments intended to electronically share patient information across the continuum of care. Finally, we demonstrated how linked ontologies were used to identify logical inconsistencies in self-reported data for the study. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. 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.

  19. ELECTRONIC MAILING LIST AND INTERNET FORUMS - TOOLS FOR MANAGEMENT AND MARKETING WITHIN EDUCATIONAL ORGANIZATIONS

    Directory of Open Access Journals (Sweden)

    Dorin Cristian COITA

    2007-01-01

    Full Text Available This paper is about the use of Electronic Mailing List and Internet Forums as tools for managers within educational organizations. In the same time, some of concepts, ideas and models can be used in other business organizations, especially in service providing organizations. Understanding management requires both learning and practicing, directly experiencing. People involved in electronic networks are experiencing the alternative to real communication. We considered Electronic Mailing List and Internet Forums both as marketing tool and a human resources management tool. The benefits of using discussion lists are: people informed, involved and improved.

  20. A deterministic model of electron transport for electron probe microanalysis

    Science.gov (United States)

    Bünger, J.; Richter, S.; Torrilhon, M.

    2018-01-01

    Within the last decades significant improvements in the spatial resolution of electron probe microanalysis (EPMA) were obtained by instrumental enhancements. In contrast, the quantification procedures essentially remained unchanged. As the classical procedures assume either homogeneity or a multi-layered structure of the material, they limit the spatial resolution of EPMA. The possibilities of improving the spatial resolution through more sophisticated quantification procedures are therefore almost untouched. We investigate a new analytical model (M 1-model) for the quantification procedure based on fast and accurate modelling of electron-X-ray-matter interactions in complex materials using a deterministic approach to solve the electron transport equations. We outline the derivation of the model from the Boltzmann equation for electron transport using the method of moments with a minimum entropy closure and present first numerical results for three different test cases (homogeneous, thin film and interface). Taking Monte Carlo as a reference, the results for the three test cases show that the M 1-model is able to reproduce the electron dynamics in EPMA applications very well. Compared to classical analytical models like XPP and PAP, the M 1-model is more accurate and far more flexible, which indicates the potential of deterministic models of electron transport to further increase the spatial resolution of EPMA.

  1. 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.

  2. Polymeric Thin Films for Organic Electronics: Properties and Adaptive Structures

    Directory of Open Access Journals (Sweden)

    Bruno Pignataro

    2013-03-01

    Full Text Available This review deals with the correlation between morphology, structure and performance of organic electronic devices including thin film transistors and solar cells. In particular, we report on solution processed devices going into the role of the 3D supramolecular organization in determining their electronic properties. A selection of case studies from recent literature are reviewed, relying on solution methods for organic thin-film deposition which allow fine control of the supramolecular aggregation of polymers confined at surfaces in nanoscopic layers. A special focus is given to issues exploiting morphological structures stemming from the intrinsic polymeric dynamic adaptation under non-equilibrium conditions.

  3. Modeling of power electronic systems with EMTP

    Science.gov (United States)

    Tam, Kwa-Sur; Dravid, Narayan V.

    1989-01-01

    In view of the potential impact of power electronics on power systems, there is need for a computer modeling/analysis tool to perform simulation studies on power systems with power electronic components as well as to educate engineering students about such systems. The modeling of the major power electronic components of the NASA Space Station Freedom Electric Power System is described along with ElectroMagnetic Transients Program (EMTP) and it is demonstrated that EMTP can serve as a very useful tool for teaching, design, analysis, and research in the area of power systems with power electronic components. EMTP modeling of power electronic circuits is described and simulation results are presented.

  4. 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.

  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. 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 ...

  7. 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...

  8. Interfacing with the brain using organic electronics (Presentation Recording)

    Science.gov (United States)

    Malliaras, George G.

    2015-10-01

    Implantable electrodes are being used for diagnostic purposes, for brain-machine interfaces, and for delivering electrical stimulation to alleviate the symptoms of diseases such as Parkinson's. The field of organic electronics made available devices with a unique combination of attractive properties, including mixed ionic/electronic conduction, mechanical flexibility, enhanced biocompatibility, and capability for drug delivery. I will present examples of organic electrodes, transistors and other devices for recording and stimulation of brain activity and discuss how they can improve our understanding of brain physiology and pathology, and how they can be used to deliver new therapies.

  9. Special issue on organic electronic bio-devices.

    Science.gov (United States)

    Torsi, Luisa

    2013-03-01

    The aim of the present editorial is to briefly summarize the current scientific and technological accomplishments in the field of organic electronic biosensors as described in the articles published in this Special Issue. By definition, a biosensor is a robust analytical device that combines a biological recognition element (e.g., antibodies, enzymes, cells) with a transducer. Organic electronic bio-devices are considered as potentially reliable substitutes of conventional and rather expensive analytical techniques employed for several applications such as medical diagnosis, food safety and environment pollution monitoring. Some insights into the selection and immobilization of recognition elements, signal amplification, fabrication techniques and analytical performance of biosensing devices will be presented.

  10. 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.

  11. 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

  12. Boltzmann-Electron Model in Aleph.

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Thomas Patrick; Hooper, Russell

    2014-11-01

    We apply the Boltzmann-electron model in the electrostatic, particle-in-cell, finite- element code Aleph to a plasma sheath. By assuming a Boltzmann energy distribution for the electrons, the model eliminates the need to resolve the electron plasma fre- quency, and avoids the numerical "grid instability" that can cause unphysical heating of electrons. This allows much larger timesteps to be used than with kinetic electrons. Ions are treated with the standard PIC algorithm. The Boltzmann-electron model re- quires solution of a nonlinear Poisson equation, for which we use an iterative Newton solver (NOX) from the Trilinos Project. Results for the spatial variation of density and voltage in the plasma sheath agree well with an analytic model

  13. Solvent Effects on Electronic Excitations of an Organic Chromophore.

    Science.gov (United States)

    Zuehlsdorff, T J; Haynes, P D; Hanke, F; Payne, M C; Hine, N D M

    2016-04-12

    In this work we study the solvatochromic shift of a selected low-energy excited state of alizarin in water by using a linear-scaling implementation of large-scale time-dependent density functional theory (TDDFT). While alizarin, a small organic dye, is chosen as a simple example of solute-solvent interactions, the findings presented here have wider ramifications for the realistic modeling of dyes, paints, and pigment-protein complexes. We find that about 380 molecules of explicit water need to be considered in order to yield an accurate representation of the solute-solvent interaction and a reliable solvatochromic shift. By using a novel method of constraining the TDDFT excitation vector, we confirm that the origin of the slow convergence of the solvatochromic shift with system size is due to two different effects. The first factor is a strong redshift of the excitation due to an explicit delocalization of a small fraction of the electron and the hole from the alizarin onto the water, which is mainly confined to within a distance of 7 Å from the alizarin molecule. The second factor can be identified as long-range electrostatic influences of water molecules beyond the 7 Å region on the ground-state properties of alizarin. We also show that these electrostatic influences are not well reproduced by a QM/MM model, suggesting that full QM studies of relatively large systems may be necessary in order to obtain reliable results.

  14. Cutaneous Recording and Stimulation of Muscles Using Organic Electronic Textiles.

    Science.gov (United States)

    Papaiordanidou, Maria; Takamatsu, Seiichi; Rezaei-Mazinani, Shahab; Lonjaret, Thomas; Martin, Alain; Ismailova, Esma

    2016-08-01

    Electronic textiles are an emerging field providing novel and non-intrusive solutions for healthcare. Conducting polymer-coated textiles enable a new generation of fully organic surface electrodes for electrophysiological evaluations. Textile electrodes are able to assess high quality muscular monitoring and to perform transcutaneous electrical stimulation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Model organisms and target discovery.

    Science.gov (United States)

    Muda, Marco; McKenna, Sean

    2004-09-01

    The wealth of information harvested from full genomic sequencing projects has not generated a parallel increase in the number of novel targets for therapeutic intervention. Several pharmaceutical companies have realized that novel drug targets can be identified and validated using simple model organisms. After decades of service in basic research laboratories, yeasts, worms, flies, fishes, and mice are now the cornerstones of modern drug discovery programs.: © 2004 Elsevier Ltd . All rights reserved.

  16. 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.

  17. Acenes and acenequinones for optics and organic electronics

    Science.gov (United States)

    Bruzek, Matthew J.

    Acenes have been explored by a number of research groups in the field of organic electronics with a particular emphasis on transistor materials. This group has been actively studying acene-based organic semiconductors for more than a decade using a crystal engineering approach and has developed acene derivatives for applications in field-effect transistors, light-emitting diodes, and photovoltaics. In addition to organic electronics, crystal engineering has important applications in a number of other fields, quite notably in the design of metal-organic frameworks. Chapters 2 and 3 of this dissertation focus on applying crystal engineering to the synthesis of acene derivatives for use as solid-state, long-wavelength fluorescent organic dyes in the field of biomedical imaging. More specifically, this work studied the synthesis and properties of dioxolane-functionalized pentacenes and hexacenes. One of these pentacene derivatives has already been demonstrated in biomedical imaging which may lead to improved treatment of tuberculosis. The dioxolane-functionalized hexacene is still under evaluation for bioimaging applications. Chapters 4 and 5 focus on crystal engineering in relation to organic electronics. Chapter 4 deals with fine-tuning of crystal packing and demonstrated that small differences in molecular structure can result in significant changes to the solid-state structure which affects semiconductor properties. Finally, chapter 5 studies the use of singlet fission in photovoltaics and demonstrated that this process does occur in a solar cell incorporating a hexacene derivative. Pentadithiophenes were also synthesized for singlet fission photovoltaics, but they have yet to be studied further. KEYWORDS: Crystal Engineering, Biomedical Imaging, Acenes, Singlet Fission, Organic Semiconductors.

  18. 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.

  19. Ignition of organic explosives by an electron beam

    Directory of Open Access Journals (Sweden)

    Ivanov Georgy A.

    2015-01-01

    Full Text Available A numerical simulation of the ignition of organic explosives (PETN, HMX, RDX, TATB with an electron beam was performed. A criterion for the ignition of energetic materials with a melting point below the temperature of ignition is obtained. The results of numerical calculations of the critical energy density of the electron beam are consistent with the criterion of ignition. Calculations of the critical energy density of PETN ignition in good agreement with the experiment. The most sensitive is PETN and the most heat-resistant is TATB.

  20. Magnetism and electronic transport in irradiated organic conductors

    International Nuclear Information System (INIS)

    Sanquer, M.

    1986-01-01

    Quasi-one-dimensional conductors are metallic in a large temperature range. The electronic gas instability can drive a phase transition at low temperature. In one-dimensional conditions, precursor fluctuations grow in the high temperature regime and can give a collective current transport. Under irradiation the quasi-one-dimensional electrons are localized and the conductivity becomes typical of a phonon assisted tunneling between metallic particles. In this study we describe the magnetism of this localized electrons. This disorder reduces the interaction between electronic spins and phonons and favours the interaction between localized spins. But if the electronic gas is less one-dimensional, irradiation disorder can not localize electrons. Our conductivity measurements prove that the disorder first reduces the electronic relaxation before induces the above mentioned localization. Moreover the fluctuative conductivity is revealed by irradiation thanks to a discrepancy with respect to one-electron model. TTF-TCNQ and (TMTSF) 2 ClO 4 are investigated in that way [fr

  1. Ion implantation of organic thin films and electronic devices

    OpenAIRE

    Scidà, Alessandra

    2013-01-01

    Organic semiconductors have great promise in the field of electronics due to their low cost in term of fabrication on large areas and their versatility to new devices, for these reasons they are becoming a great chance in the actual technologic scenery. Some of the most important open issues related to these materials are the effects of surfaces and interfaces between semiconductor and metals, the changes caused by different deposition methods and temperature, the difficulty related to the ch...

  2. Hybrid organic-inorganic coatings via electron transfer behaviour.

    Science.gov (United States)

    Zoubi, Wail Al; Min, Ji Hoon; Ko, Young Gun

    2017-08-01

    A novel method to functionalize the surface of inorganic coating by growing organic coating has been investigated based on microstructural interpretation, electrochemical assessment, and quantum chemical analysis. For this purpose, inorganic coating with magnesium aluminate, magnesium oxide, and titanium dioxide was prepared on magnesium alloy via plasma electrolytic oxidation (PEO), and, then, subsequent dip-coating method was used to tailor organic coating using diethyl-5-hydroxyisophthalate (DEIP) as organic molecules. The incorporation of TiO 2 particles worked as a sealing agent to block the micro-defects which resulted mainly from the intense plasma sparks during PEO. In addition, such incorporation played an important role in enhancing the adhesion between inorganic and organic coatings. The use of DEIP as organic corrosion inhibitor resulted in a significant decrease in porosity of inorganic coating. Quantum chemical calculation was used to clarify the corrosion inhibition mechanism which was activated by introduction of DEIP. Thus, the electrochemical analysis based on potentiodynamic polarization and impedance spectroscopy tests in 3.5 wt% NaCl solution suggested that corrosion resistance of magnesium alloy sample was enhanced significantly due to a synergistic effect arising from the hybrid inorganic and organic coatings. This phenomenon was explained in relation to electron transfer behaviour between inorganic and organic coatings.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Multidisciplinary Modelling Tools for Power Electronic Circuits

    DEFF Research Database (Denmark)

    Bahman, Amir Sajjad

    package, e.g. power module, DFR approach meets trade-offs in electrical, thermal and mechanical design of the device. Today, virtual prototyping of power electronic circuits using advanced simulation tools is becoming attractive due to cost/time saving in building potential designs. With simulations......This thesis presents multidisciplinary modelling techniques in a Design For Reliability (DFR) approach for power electronic circuits. With increasing penetration of renewable energy systems, the demand for reliable power conversion systems is becoming critical. Since a large part of electricity...... is processed through power electronics, highly efficient, sustainable, reliable and cost-effective power electronic devices are needed. Reliability of a product is defined as the ability to perform within its predefined functions under given conditions in a specific time. Because power electronic devices...

  9. 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.

  10. Electron-Ionic Model of Ball Lightening

    OpenAIRE

    Fedosin, Sergey G.; Kim, Anatolii S.

    2001-01-01

    The model of ball lightning is presented where outside electron envelope is kept by inside volume of positive charges. The moving of electron in outside envelope is a reason of strong magnetic field, which controls the state of hot ionized air inside of ball lightning. The conditions of origins of ball lightning are investigated and the values of parameters for ball lightning of maximum power are calculated.

  11. 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

  12. 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)

  13. 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.

  14. 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.

  15. Graphene nanoribbon blends with P3HT for organic electronics.

    Science.gov (United States)

    El Gemayel, Mirella; Narita, Akimitsu; Dössel, Lukas F; Sundaram, Ravi S; Kiersnowski, Adam; Pisula, Wojciech; Hansen, Michael Ryan; Ferrari, Andrea C; Orgiu, Emanuele; Feng, Xinliang; Müllen, Klaus; Samorì, Paolo

    2014-06-21

    In organic field-effect transistors (OFETs) the electrical characteristics of polymeric semiconducting materials suffer from the presence of structural/morphological defects and grain boundaries as well as amorphous domains within the film, hindering an efficient transport of charges. To improve the percolation of charges we blend a regioregular poly(3-hexylthiophene) (P3HT) with newly designed N = 18 armchair graphene nanoribbons (GNRs). The latter, prepared by a bottom-up solution synthesis, are expected to form solid aggregates which cannot be easily interfaced with metallic electrodes, limiting charge injection at metal-semiconductor interfaces, and are characterized by a finite size, thus by grain boundaries, which negatively affect the charge transport within the film. Both P3HT and GNRs are soluble/dispersible in organic solvents, enabling the use of a single step co-deposition process. The resulting OFETs show a three-fold increase in the charge carrier mobilities in blend films, when compared to pure P3HT devices. This behavior can be ascribed to GNRs, and aggregates thereof, facilitating the transport of the charges within the conduction channel by connecting the domains of the semiconductor film. The electronic characteristics of the devices such as the Ion/Ioff ratio are not affected by the addition of GNRs at different loads. Studies of the electrical characteristics under illumination for potential use of our blend films as organic phototransistors (OPTs) reveal a tunable photoresponse. Therefore, our strategy offers a new method towards the enhancement of the performance of OFETs, and holds potential for technological applications in (opto)electronics.

  16. Mathematical model I. Electron and quantum mechanics

    Directory of Open Access Journals (Sweden)

    Nitin Ramchandra Gadre

    2011-03-01

    Full Text Available The basic particle electron obeys various theories like electrodynamics, quantum mechanics and special relativity. Particle under different experimental conditions behaves differently, allowing us to observe different characteristics which become basis for these theories. In this paper, we have made an attempt to suggest a classical picture by studying the requirements of these three modern theories. The basic presumption is: There must be certain structural characteristics in a particle like electron which make it obey postulates of modern theories. As it is ‘difficult’ to find structure of electron experimentally, we make a mathematical attempt. For a classical approach, we require well defined systems and we have studied a system with two charged particles, proton and electron in a hydrogen atom. An attempt has been made to give a model to describe electron as seen by the proton. We then discuss how the model can satisfy the requirements of the three modern theories in a classical manner. The paper discusses basic aspects of relativity and electrodynamics. However the focus of the paper is on quantum mechanics.

  17. Mathematical model I. Electron and quantum mechanics

    Science.gov (United States)

    Gadre, Nitin Ramchandra

    2011-03-01

    The basic particle electron obeys various theories like electrodynamics, quantum mechanics and special relativity. Particle under different experimental conditions behaves differently, allowing us to observe different characteristics which become basis for these theories. In this paper, we have made an attempt to suggest a classical picture by studying the requirements of these three modern theories. The basic presumption is: There must be certain structural characteristics in a particle like electron which make it obey postulates of modern theories. As it is `difficult' to find structure of electron experimentally, we make a mathematical attempt. For a classical approach, we require well defined systems and we have studied a system with two charged particles, proton and electron in a hydrogen atom. An attempt has been made to give a model to describe electron as seen by the proton. We then discuss how the model can satisfy the requirements of the three modern theories in a classical manner. The paper discusses basic aspects of relativity and electrodynamics. However the focus of the paper is on quantum mechanics.

  18. Organization Development: Strategies and Models.

    Science.gov (United States)

    Beckhard, Richard

    This book, written for managers, specialists, and students of management, is based largely on the author's experience in helping organization leaders with planned-change efforts, and on related experience of colleagues in the field. Chapter 1 presents the background and causes for the increased concern with organization development and planned…

  19. 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.

  20. 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

  1. 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...... discrepancies to band theory. We demonstrate that the dispersive behavior as well as the temperature dependence of the spectra can be consistently explained by the finite-energy physics of the one-dimensional Hubbard model at metallic doping. The model description can even be made quantitative, if one accounts......-dimensional Hubbard model for the low-energy spectral behavior is attributed to interchain coupling and the additional effect of electron-phonon interaction....

  2. 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

  3. 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

  4. Model Organisms Fact Sheet: Using Model Organisms to Study Health and Disease

    Science.gov (United States)

    ... research organisms to explore the basic biology and chemistry of life. Scientists decide which organism to study ... and much is already known about their genetic makeup . For these and other reasons, studying model organisms ...

  5. 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

  6. 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

  7. 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...... 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......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...

  8. Solvent effects on electronic excitations of an organic chromophore

    OpenAIRE

    Zuehlsdorff, Tim Joachim; Haynes, Peter D; Hanke, Felix; Payne, Michael Christopher; Hine, Nicholas DM

    2016-01-01

    In this work we study the solvatochromic shift of a selected low energy excited state of alizarin in water by using a linear-scaling implementation of large-scale time-dependent density functional theory (TDDFT). While alizarin, a small organic dye, is chosen as a simple example of solute-solvent interactions, the findings presented here have wider ramifications for the realistic modelling of dyes, paints and pigment-protein complexes. We find that about 380 molecules of explicit water need t...

  9. 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.

  10. 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 ...

  11. 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.

  12. 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...

  13. Electronic absorption spectra and geometry of organic molecules an application of molecular orbital theory

    CERN Document Server

    Suzuki, Hiroshi

    1967-01-01

    Electronic Absorption Spectra and Geometry of Organic Molecules: An Application of Molecular Orbital Theory focuses on electronic absorption spectra of organic compounds and molecules. The book begins with the discussions on molecular spectra, electronic absorption spectra of organic compounds, and practical measures of absorption intensity. The text also focuses on molecular orbital theory and group theory. Molecular state functions; fundamental postulates of quantum theory; representation of symmetry groups; and symmetry operations and symmetry groups are described. The book also dis

  14. 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

  15. Isotope substitution extends the lifetime of organic molecules in transmission electron microscopy.

    Science.gov (United States)

    Chamberlain, Thomas W; Biskupek, Johannes; Skowron, Stephen T; Bayliss, Peter A; Bichoutskaia, Elena; Kaiser, Ute; Khlobystov, Andrei N

    2015-02-04

    Structural characterisation of individual molecules by high-resolution transmission electron microscopy (HRTEM) is fundamentally limited by the element and electron energy-specific interactions of the material with the high energy electron beam. Here, the key mechanisms controlling the interactions between the e-beam and C-H bonds, present in all organic molecules, are examined, and the low atomic weight of hydrogen-resulting in its facile atomic displacement by the e-beam-is identified as the principal cause of the instability of individual organic molecules. It is demonstrated theoretically and proven experimentally that exchanging all hydrogen atoms within molecules with the deuterium isotope, and therefore doubling the atomic weight of the lightest atoms in the structure, leads to a more than two-fold increase in the stability of organic molecules in the e-beam. Substitution of H for D significantly reduces the amount of kinetic energy transferred from the e-beam to the atom (main factor contributing to stability) and also increases the barrier for bond dissociation, primarily due to the changes in the zero-point energy of the C-D vibration (minor factor). The extended lifetime of coronene-d12 , used as a model molecule, enables more precise analysis of the inter-molecular spacing and more accurate measurement of the molecular orientations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. 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.

  17. 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

  18. Mobility dependent recombination models for organic solar cells

    Science.gov (United States)

    Wagenpfahl, Alexander

    2017-09-01

    Modern solar cell technologies are driven by the effort to enhance power conversion efficiencies. A main mechanism limiting power conversion efficiencies is charge carrier recombination which is a direct function of the encounter probability of both recombination partners. In inorganic solar cells with rather high charge carrier mobilities, charge carrier recombination is often dominated by energetic states which subsequently trap both recombination partners for recombination. Free charge carriers move fast enough for Coulomb attraction to be irrelevant for the encounter probability. Thus, charge carrier recombination is independent of charge carrier mobilities. In organic semiconductors charge carrier mobilities are much lower. Therefore, electrons and holes have more time react to mutual Coulomb-forces. This results in the strong charge carrier mobility dependencies of the observed charge carrier recombination rates. In 1903 Paul Langevin published a fundamental model to describe the recombination of ions in gas-phase or aqueous solutions, known today as Langevin recombination. During the last decades this model was used to interpret and model recombination in organic semiconductors. However, certain experiments especially with bulk-heterojunction solar cells reveal much lower recombination rates than predicted by Langevin. In search of an explanation, many material and device properties such as morphology and energetic properties have been examined in order to extend the validity of the Langevin model. A key argument for most of these extended models is, that electron and hole must find each other at a mutual spatial location. This encounter may be limited for instance by trapping of charges in trap states, by selective electrodes separating electrons and holes, or simply by the morphology of the involved semiconductors, making it impossible for electrons and holes to recombine at high rates. In this review, we discuss the development of mobility limited

  19. 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. .

  20. Modeling ion sensing in molecular electronics

    Science.gov (United States)

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

    2014-02-01

    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 (Ca2+), and hydronium ions (H3O+) 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, C9H7NS2), 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.

  1. 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

  2. 2012 ELECTRONIC PROCESSES IN ORGANIC MATERIALS GORDON RESEARCH SEMINAR, JUNE 2-8, 2012

    Energy Technology Data Exchange (ETDEWEB)

    Eisele, Dorthe

    2012-06-08

    This meeting focuses on the latest progress and challenges regarding organic electronics devices, artificial light-harvesting systems, and inorganic/organic hybrid nanoscale systems and especially on the synergy between these fields.

  3. 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...

  4. Modeling Virtual Organization Architecture with the Virtual Organization Breeding Methodology

    Science.gov (United States)

    Paszkiewicz, Zbigniew; Picard, Willy

    While Enterprise Architecture Modeling (EAM) methodologies become more and more popular, an EAM methodology tailored to the needs of virtual organizations (VO) is still to be developed. Among the most popular EAM methodologies, TOGAF has been chosen as the basis for a new EAM methodology taking into account characteristics of VOs presented in this paper. In this new methodology, referred as Virtual Organization Breeding Methodology (VOBM), concepts developed within the ECOLEAD project, e.g. the concept of Virtual Breeding Environment (VBE) or the VO creation schema, serve as fundamental elements for development of VOBM. VOBM is a generic methodology that should be adapted to a given VBE. VOBM defines the structure of VBE and VO architectures in a service-oriented environment, as well as an architecture development method for virtual organizations (ADM4VO). Finally, a preliminary set of tools and methods for VOBM is given in this paper.

  5. 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.

  6. Electroactive materials for organic electronics: preparation strategies, structural aspects and characterization techniques.

    Science.gov (United States)

    Pron, Adam; Gawrys, Pawel; Zagorska, Malgorzata; Djurado, David; Demadrille, Renaud

    2010-07-01

    This critical review discusses specific chemical and physicochemical requirements which must be met for organic compounds to be considered as promising materials for applications in organic electronics. Although emphasis is put on molecules and macromolecules suitable for fabrication of field effect transistors (FETs), a large fraction of the discussed compounds can also be applied in other organic or hybrid (organic-inorganic) electronic devices such as photodiodes, light emitting diodes, photovoltaic cells, etc. It should be of interest to chemists, physicists, material scientists and electrical engineers working in the domain of organic electronics (423 references).

  7. 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.

  8. 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

  9. Synthesis of Thiophene, Selenophene and Thiophene- S-Dioxide Based Organic Semiconductors for Organic Electronics

    Science.gov (United States)

    Khambhati, Devang P.

    Solid materials having electrical conductivity greater than insulators but less than metals are semiconductors. Carbon-based materials that exhibit semiconductor properties are known as organic semiconductors (OSCs). These materials hold promise for flexible, lightweight, inexpensive and easy to fabricate devices. Due to these advantages, OSCs have gained tremendous interest in recent decades for their use in solar cells, thin film transistors and light emitting diodes. OSCs can be broadly classified in two categories: conjugated polymers (CPs) and small molecules. (1) CPs: Organic macromolecules which have a backbone chain of alternating double/triple- and single-Bonds are known as CP. Application and device fabrication is dictated by the Energy gap between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). Therefore it is a vital parameter for CPs. Here, the synthesis a narrow bandgap conjugated polymer- Poly(3- alkoxy selenophene), inspired from poly(3-alkoxythiophene), will be discussed. Li ion batteries may catch fire due to the conventionally used cathode material, LiCoOn. We have formed a mixture, comprised of poly(3-alkoxy thiophene) and Li salt, as an alternative material for the cathode in Li ion batteries. (2) Small molecules: Small molecules were synthesized based on the electron deficient moiety of Benzodithiophene-S,S-tetraoxide (BDTT) via Cu catalyzed C-H activated direct arylation. Reaction conditions were optimized for various parameters like catalysts, ligands and base. Also, the optoelectronic properties of these molecules were studied.

  10. 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

  11. 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.

  12. 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)

  13. 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.

  14. High efficiency blue phosphorescent organic light-emitting diodes without electron transport layer

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Soon Ok [Department of Polymer Science and Engineering, Dankook University, Jukjeon-dong, Suji-gu, Yongin-si, Gyeonggi-do 448-701 (Korea, Republic of); Lee, Jun Yeob, E-mail: leej17@dankook.ac.kr [Department of Polymer Science and Engineering, Dankook University, Jukjeon-dong, Suji-gu, Yongin-si, Gyeonggi-do 448-701 (Korea, Republic of)

    2011-08-15

    High efficiency blue phosphorescent organic light-emitting diodes were fabricated without an electron transport layer using a spirobifluorene based blue triplet host material. The simple blue PHOLEDs without the electron transport layer showed a high external quantum efficiency and current efficiency of 16.1% and 30.2 cd/A, respectively. The high device performances of the electron transport layer free blue PHOLEDs were comparable to those of blue PHOLEDs with the electron transport layer. - Highlights: > Simple device structure without electron transport layer. > High efficiency blue phosphorescent organic light-emitting diode. > Spirobifluorene based high triplet energy host material.

  15. 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...

  16. 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 ...

  17. A Simple and Scalable Fabrication Method for Organic Electronic Devices on Textiles.

    Science.gov (United States)

    Ismailov, Usein; Ismailova, Esma; Takamatsu, Seiichi

    2017-03-13

    Today, wearable electronics devices combine a large variety of functional, stretchable, and flexible technologies. However, in many cases, these devices cannot be worn under everyday conditions. Therefore, textiles are commonly considered the best substrate to accommodate electronic devices in wearable use. In this paper, we describe how to selectively pattern organic electroactive materials on textiles from a solution in an easy and scalable manner. This versatile deposition technique enables the fabrication of wearable organic electronic devices on clothes.

  18. 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.

  19. Modeling Electronic Properties of Complex Oxides

    Science.gov (United States)

    Krishnaswamy, Karthik

    Complex oxides are a class of materials that have recently emerged as potential candidates for electronic applications owing to their interesting electronic properties. The goal of this dissertation is to develop a fundamental understanding of these electronic properties using a combination of first-principles approaches based on density functional theory (DFT), and Schrodinger-Poisson (SP) simulation (Abstract shortened by ProQuest.

  20. 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...

  1. On the Computation of Secondary Electron Emission Models

    OpenAIRE

    Clerc, Sebastien; Dennison, JR; Hoffmann, Ryan; Abbott, Jonathon

    2006-01-01

    Secondary electron emission is a critical contributor to the charge particle current balance in spacecraft charging. Spacecraft charging simulation codes use a parameterized expression for the secondary electron (SE) yield delta(Eo) as a function of the incident electron energy Eo. Simple three-step physics models of the electron penetration, transport, and emission from a solid are typically expressed in terms of the incident electron penetration depth at normal incidence R(Eo) and the mean ...

  2. 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.

  3. Nanoscale Structure of Self-Assembling Hybrid Materials of Inorganic and Electronically Active Organic Phases

    Energy Technology Data Exchange (ETDEWEB)

    Sofos, M.; Goswami, D.A. Stone D.K.; Okasinski, J.S.; Jin, H.; Bedzyk, M.J.; Stupp, S.I. (NWU)

    2008-10-06

    Hybrid materials with nanoscale structure that incorporates inorganic and organic phases with electronic properties offer potential in an extensive functional space that includes photovoltaics, light emission, and sensing. This work describes the nanoscale structure of model hybrid materials with phases of silica and electronically active bola-amphiphile assemblies containing either oligo(p-phenylene vinylene) or oligo(thiophene) segments. The hybrid materials studied here were synthesized by evaporation-induced self-assembly and characterized by X-ray scattering techniques. Grazing-incidence X-ray scattering studies of these materials revealed the formation of two-dimensional hexagonally packed cylindrical micelles of the organic molecules with diameters between 3.1 and 3.6 nm and cylindrical axes parallel to the surface. During the self-assembly process at low pH, the cylindrical aggregates of conjugated molecules become surrounded by silica giving rise to a hybrid structure with long-range order. Specular X-ray reflectivity confirmed the long-range periodicity of the hybrid films within a specific range of molar ratios of tetraethyl orthosilicate to cationic amphiphile. We did not observe any long-range ordering in fully organic analogues unless quaternary ammonium groups were replaced by tertiary amines. These observations suggest that charge screening in these biscationic conjugated molecules by the mineral phase is a key factor in the evolution of long range order in the self-assembling hybrids.

  4. 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)

  5. Decomposition of volatile organic compounds and polycyclic aromatic hydrocarbons in industrial off-gas by electron beams: A review

    International Nuclear Information System (INIS)

    Paur, H.R.

    1998-01-01

    The electron beam induced decomposition of volatile organic compounds (e.g. aromatic compounds, esters, chlorinated hydrocarbons) and polycyclic aromatic hydrocarbons (e.g. chlorinated dibenzo-dioxins) in industrial off gas has been investigated by several research groups in Germany and Japan. The method was shown to be effective for cleaning the waste gas of a paint factory, the waste air discharged from an automobile tunnel, the off gas cleaning from a groundwater remediation plant and the flue gas of a waste incinerator. The electron beam process achieves high removal efficiencies for volatile organic compounds. Reaction models have been developed, which suggest that the organic compounds are oxidized by hydroxyl radicals. The electron beam process may treat very large off-gas volumes at ambient temperatures and has a low energy consumption. The production of secondary wastes can be avoided or minimized. Compared to conventional methods the investment and operation costs of the process seem to be attractive for selected applications

  6. 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.

  7. 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.

  8. 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.

  9. 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.)

  10. MODELING OF QUALITY MANAGEMENT SYSTEM FOR ELECTRONIC LEARNING RESOURCES: THE INTEGRATED AND DIFFERENTIATED APPROACHES

    Directory of Open Access Journals (Sweden)

    H. M. Kravtsov

    2012-03-01

    Full Text Available Abstract. Results on modeling of quality management system of electronic information resources on the basis of the analysis of its elements functioning with use of the integrated and differentiated approaches are presented. Application of such model is illustrated on an example of calculation and optimization of parameters of a quality management system at the organization of the co-ordinated work of services of monitoring, an estimation of quality and support of electronic learning resources.

  11. The electronic disability record: purpose, parameters, and model use case.

    Science.gov (United States)

    Tulu, Bengisu; Horan, Thomas A

    2009-01-01

    The active engagement of consumers is an important factor in achieving widespread success of health information systems. The disability community represents a major segment of the healthcare arena, with more than 50 million Americans experiencing some form of disability. In keeping with the "consumer-driven" approach to e-health systems, this paper considers the distinctive aspects of electronic and personal health record use by this segment of society. Drawing upon the information shared during two national policy forums on this topic, the authors present the concept of Electronic Disability Records (EDR). The authors outline the purpose and parameters of such records, with specific attention to its ability to organize health and financial data in a manner that can be used to expedite the disability determination process. In doing so, the authors discuss its interaction with Electronic Health Records (EHR) and Personal Health Records (PHR). The authors then draw upon these general parameters to outline a model use case for disability determination and discuss related implications for disability health management. The paper further reports on the subsequent considerations of these and related deliberations by the American Health Information Community (AHIC).

  12. COMPUTER MODEL FOR ORGANIC FERTILIZER EVALUATION

    OpenAIRE

    Lončarić, Zdenko; Vukobratović, Marija; Ragaly, Peter; Filep, Tibor; Popović, Brigita; Karalić, Krunoslav; Vukobratović, Želimir

    2009-01-01

    Evaluation of manures, composts and growing media quality should include enough properties to enable an optimal use from productivity and environmental points of view. The aim of this paper is to describe basic structure of organic fertilizer (and growing media) evaluation model to present the model example by comparison of different manures as well as example of using plant growth experiment for calculating impact of pH and EC of growing media on lettuce plant growth. The basic structure of ...

  13. 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.

  14. Resveratrol and Lifespan in Model Organisms.

    Science.gov (United States)

    Pallauf, Kathrin; Rimbach, Gerald; Rupp, Petra Maria; Chin, Dawn; Wolf, Insa M A

    2016-01-01

    Resveratrol may possess life-prolonging and health-benefitting properties, some of which may resemble the effect of caloric restriction (CR). CR appears to prolong the lifespan of model organisms in some studies and may benefit human health. However, for humans, restricting food intake for an extended period of time seems impracticable and substances imitating the beneficial effects of CR without having to reduce food intake could improve health in an aging and overweight population. We have reviewed the literature studying the influence of resveratrol on the lifespan of model organisms including yeast, flies, worms, and rodents. We summarize the in vivo findings, describe modulations of molecular targets and gene expression observed in vivo and in vitro, and discuss how these changes may contribute to lifespan extension. Data from clinical studies are summarized to provide an insight about the potential of resveratrol supplementation in humans. Resveratrol supplementation has been shown to prolong lifespan in approximately 60% of the studies conducted in model organisms. However, current literature is contradictory, indicating that the lifespan effects of resveratrol vary strongly depending on the model organism. While worms and killifish seemed very responsive to resveratrol, resveratrol failed to affect lifespan in the majority of the studies conducted in flies and mice. Furthermore, factors such as dose, gender, genetic background and diet composition may contribute to the high variance in the observed effects. It remains inconclusive whether resveratrol is indeed a CR mimetic and possesses life-prolonging properties. The limited bioavailability of resveratrol may further impede its potential effects.

  15. 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...

  16. 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.

  17. Cosmic-ray electrons in the closed-galaxy model

    International Nuclear Information System (INIS)

    Badhwar, G.D.; Stephens, S.A.

    1976-01-01

    We have examined the consequences of the ''closed galaxy'' cosmic-ray confinement model of Rasmussen and Peters with regard to the electron component of cosmic rays. It is found that the predictions of this model are inconsistent with the observed intensity and charge composition of electrons. The model is also inconsistent with the galactic radio emission

  18. 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.

  19. Modeling of Organic Effects on Aerosols Growth

    Science.gov (United States)

    Caboussat, A.; Amundson, N. R.; He, J.; Seinfeld, J. H.

    2006-05-01

    Over the last two decades, a series of modules has been developed in the atmospheric modeling community to predict the phase transition, multistage growth phenomena, crystallization and evaporation of inorganic aerosols. In the same time, the water interactions of particles containing organic constituents have been recognized as an important factor for aerosol activation and cloud formation. However, the research on hygroscopicity of organic-containing aerosols, motivated by the organic effect on aerosol growth and activation, has gathered much less attention. We present here a new model (UHAERO), that is both efficient and rigorously computes phase separation and liquid-liquid equilibrium for organic particles, as well as the dynamics partitioning between gas and particulate phases, with emphasis on the role of water vapor in the gas-liquid partitioning. The model does not rely on any a priori specification of the phases present in certain atmospheric conditions. The determination of the thermodynamic equilibrium is based on the minimization of the Gibbs free energy. The mass transfer between the particle and the bulk gas phase is dynamically driven by the difference between bulk gas pressure and the gas pressure at the surface of a particle. The multicomponent phase equilibrium for a closed organic aerosol system at constant temperature and pressure and for specified feeds is the solution to the liquid-liquid equilibrium problem arising from the constrained minimization of the Gibbs free energy. A geometrical concept of phase simplex (phase separation) is introduced to characterize the thermodynamic equilibrium. The computation of the mass fluxes is achieved by coupling the thermodynamics of the organic aerosol particle and the determination of the mass fluxes. Numerical results show the efficiency of the model, which make it suitable for insertion in global three- dimensional air quality models. The Gibbs free energy is modeled by the UNIFAC model to illustrate

  20. 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.

  1. 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.

  2. Reconfigurable electronics using conducting metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    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.

  3. 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.

  4. Biophysical Modeling of Respiratory Organ Motion

    Science.gov (United States)

    Werner, René

    Methods to estimate respiratory organ motion can be divided into two groups: biophysical modeling and image registration. In image registration, motion fields are directly extracted from 4D ({D}+{t}) image sequences, often without concerning knowledge about anatomy and physiology in detail. In contrast, biophysical approaches aim at identification of anatomical and physiological aspects of breathing dynamics that are to be modeled. In the context of radiation therapy, biophysical modeling of respiratory organ motion commonly refers to the framework of continuum mechanics and elasticity theory, respectively. Underlying ideas and corresponding boundary value problems of those approaches are described in this chapter, along with a brief comparison to image registration-based motion field estimation.

  5. Electronic properties of organic monolayers and molecular devices

    Indian Academy of Sciences (India)

    E-mail: dominique.vuillaume@iemn.univ-lille1.fr. Abstract. We review some of our recent experimental results on charge transport in or- ganic nanostructures such as self-assembled monolayer and monolayers of organic semicon- ductors. We describe a molecular rectifying junction made from a sequential self-assembly.

  6. 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.

  7. Interfacial electronic effects in functional biolayers integrated into organic field-effect transistors

    Science.gov (United States)

    Angione, Maria Daniela; Cotrone, Serafina; Magliulo, Maria; Mallardi, Antonia; Altamura, Davide; Giannini, Cinzia; Cioffi, Nicola; Sabbatini, Luigia; Fratini, Emiliano; Baglioni, Piero; Scamarcio, Gaetano; Palazzo, Gerardo; Torsi, Luisa

    2012-01-01

    Biosystems integration into an organic field-effect transistor (OFET) structure is achieved by spin coating phospholipid or protein layers between the gate dielectric and the organic semiconductor. An architecture directly interfacing supported biological layers to the OFET channel is proposed and, strikingly, both the electronic properties and the biointerlayer functionality are fully retained. The platform bench tests involved OFETs integrating phospholipids and bacteriorhodopsin exposed to 1–5% anesthetic doses that reveal drug-induced changes in the lipid membrane. This result challenges the current anesthetic action model relying on the so far provided evidence that doses much higher than clinically relevant ones (2.4%) do not alter lipid bilayers’ structure significantly. Furthermore, a streptavidin embedding OFET shows label-free biotin electronic detection at 10 parts-per-trillion concentration level, reaching state-of-the-art fluorescent assay performances. These examples show how the proposed bioelectronic platform, besides resulting in extremely performing biosensors, can open insights into biologically relevant phenomena involving membrane weak interfacial modifications. PMID:22493224

  8. Direct imaging of defect formation in strained organic flexible electronics by Scanning Kelvin Probe Microscopy.

    Science.gov (United States)

    Cramer, Tobias; Travaglini, Lorenzo; Lai, Stefano; Patruno, Luca; de Miranda, Stefano; Bonfiglio, Annalisa; Cosseddu, Piero; Fraboni, Beatrice

    2016-12-02

    The development of new materials and devices for flexible electronics depends crucially on the understanding of how strain affects electronic material properties at the nano-scale. Scanning Kelvin-Probe Microscopy (SKPM) is a unique technique for nanoelectronic investigations as it combines non-invasive measurement of surface topography and surface electrical potential. Here we show that SKPM in non-contact mode is feasible on deformed flexible samples and allows to identify strain induced electronic defects. As an example we apply the technique to investigate the strain response of organic thin film transistors containing TIPS-pentacene patterned on polymer foils. Controlled surface strain is induced in the semiconducting layer by bending the transistor substrate. The amount of local strain is quantified by a mathematical model describing the bending mechanics. We find that the step-wise reduction of device performance at critical bending radii is caused by the formation of nano-cracks in the microcrystal morphology of the TIPS-pentacene film. The cracks are easily identified due to the abrupt variation in SKPM surface potential caused by a local increase in resistance. Importantly, the strong surface adhesion of microcrystals to the elastic dielectric allows to maintain a conductive path also after fracture thus providing the opportunity to attenuate strain effects.

  9. 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.

  10. VHDL Model of Electronic-Lock System

    Directory of Open Access Journals (Sweden)

    J. Noga

    2000-04-01

    Full Text Available The paper describes the design of an electronic-lock system which wascompleted as part of the Basic VHDL course in the Department of Controland Measurement Faculty of Electrical Engineering and Informatics,Technical University of Ostrava, Czech Republic in co-operation withthe Department if Electronic Engineering, University of Hull, GreatBritain in the frame of TEMPUS project no. S_JEP/09468-95.

  11. The Dismantling of the Japanese Model in Consumer Electronics

    DEFF Research Database (Denmark)

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

    -based innovation, the current transformation ofsound amplification from conventional to digital amplifiers. We study the early formation of thisnew technology as especially reflected in the particularly dynamic cluster of innovation inDenmark and extend the analysis to the global strategizing around this new......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...

  12. Uniform electroactive fibre-like micelle nanowires for organic electronics

    Science.gov (United States)

    Li, Xiaoyu; Wolanin, Piotr J.; Macfarlane, Liam R.; Harniman, Robert L.; Qian, Jieshu; Gould, Oliver E. C.; Dane, Thomas G.; Rudin, John; Cryan, Martin J.; Schmaltz, Thomas; Frauenrath, Holger; Winnik, Mitchell A.; Faul, Charl F. J.; Manners, Ian

    2017-06-01

    Micelles formed by the self-assembly of block copolymers in selective solvents have attracted widespread attention and have uses in a wide variety of fields, whereas applications based on their electronic properties are virtually unexplored. Herein we describe studies of solution-processable, low-dispersity, electroactive fibre-like micelles of controlled length from π-conjugated diblock copolymers containing a crystalline regioregular poly(3-hexylthiophene) core and a solubilizing, amorphous regiosymmetric poly(3-hexylthiophene) or polystyrene corona. Tunnelling atomic force microscopy measurements demonstrate that the individual fibres exhibit appreciable conductivity. The fibres were subsequently incorporated as the active layer in field-effect transistors. The resulting charge carrier mobility strongly depends on both the degree of polymerization of the core-forming block and the fibre length, and is independent of corona composition. The use of uniform, colloidally stable electroactive fibre-like micelles based on common π-conjugated block copolymers highlights their significant potential to provide fundamental insight into charge carrier processes in devices, and to enable future electronic applications.

  13. 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

  14. 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

  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. 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)

  19. Modeling mini-orange electron spectrometers

    International Nuclear Information System (INIS)

    Canzian da Silva, Nelson; Dietzsch, Olacio

    1994-01-01

    A method for calculating the transmission of mini-orange electron spectrometers is presented. The method makes use of the analytical solution for the magnetic field of a plane magnet in the calculation of the spectrometer spatial field distribution by superimposing the fields of the several magnets that compose the system. Electron trajectories through the spectrometer are integrated numerically in a Monte Carlo calculation and the transmission of the spectrometer as a function of the electron energy is evaluated. A six-magnet mini-orange spectrometer was built and its transmission functions for several distances from source to detector were measured and compared to the calculations. The overall agreement is found to be good. The method is quite general and can be applied to the design of systems composed of plane magnets, predicting their performance before assembling them. ((orig.))

  20. Making Electronic Health Records (EHRs) Work: Informal Talk and Workarounds in Healthcare Organizations.

    Science.gov (United States)

    Barrett, Ashley K; Stephens, Keri K

    2017-08-01

    A key provision of the American Recovery and Reinvestment Act of 2009 mandated that electronic health records (EHR) be adopted in US healthcare organizations by 2015. The purpose of this study is to examine the communicative processes involved as healthcare workers implement an EHR and make changes, known as workarounds. Guided by theories in social influence, and diffusion of innovations, we conducted a survey of healthcare professionals using an EHR system in an organization. Our structural equation modeling (SEM) and multiple regression results reveal coworker communication, in the form of informal social support and feedback, play an important role in whether people engage in workarounds. Understanding this relationship is important because our study also demonstrates that workarounds predict healthcare employees' overall satisfaction with the EHR system. Specifically, workarounds are associated with higher perceptions of the EHR's relative advantage, higher perceptions of EHR implementation success, and lower levels of resistance to EHR change. This study offers a health communication contribution to the growing research on EHR systems and demonstrates the persuasive effects that coworkers have on new technology use in healthcare organizations.

  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. Smooth growth of organic semiconductor films on graphene for high-efficiency electronics.

    Science.gov (United States)

    Hlawacek, Gregor; Khokhar, Fawad S; van Gastel, Raoul; Poelsema, Bene; Teichert, Christian

    2011-02-09

    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 microscopy and micro low energy electron diffraction reveal the morphological and structural evolution of the thin film. The layer-by-layer growth of 6P on graphene proceeds by subsequent adding of {111} layers.

  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. 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

  5. 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.

  6. 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 w...

  7. Dimensionality of electronic excitations in organic semiconductors: A dielectric function approach

    Science.gov (United States)

    Campoy-Quiles, Mariano; Nelson, Jenny; Bradley, Donal D. C.; Etchegoin, Pablo G.

    2007-12-01

    We present a detailed investigation on the effective dimensionality (associated with the degree of delocalization) of electronic excitations in thin organic films using the dielectric function as obtained from ellipsometry. To this end, we study first the best analytical representation of the optical dielectric function of these materials and compare different approaches found in the literature: (i) the harmonic oscillator approximation, (ii) the standard critical-point model (SCP), (iii) the model dielectric function (MDF), and (iv) the Forouhi-Bloomer model. We use these models to analyze variable angle spectroscopic ellipsometry raw data for a thin poly(9,9-dioctylfluorene) (PFO) film deposited on quartz (taken as an archetypal sample). The superiority of the SCP model for PFO films and a wide range of other spin-coated conjugated polymers (and guest-molecules in polymers) is demonstrated. Moreover, we show how the SCP model can be used to gain physical information on the microscopic structure. As an example, we show that the delocalization of excitons decreases for nonconjugated polymers, such as polymethylmethacrylate and polyimide, while the conjugation length and exciton delocalization are, respectively, enhanced in cases where a planar conformation (e.g., β phase of PFO) or a high degree of crystallinity [e.g., poly(3-hexylthiophene)] is achieved. As an additional example, we employ the SCP excitonic model to investigate the temperature dependence of the dielectric function of crystalline and glassy PFO films. We propose that the SCP excitonic model should be adopted as the standard choice to model the optical properties of polymer thin films from ellipsometry data.

  8. Low-voltage electron microscopy of polymer and organic molecular thin films

    International Nuclear Information System (INIS)

    Drummy, L.F.; Yang Junyan; Martin, D.C.

    2004-01-01

    We have demonstrated the capabilities of a novel low-voltage electron microscope (LVEM) for imaging polymer and organic molecular thin films. The LVEM can operate in transmission electron microscopy, scanning transmission electron microscopy, scanning electron microscopy, and electron diffraction modes. The microscope operates at a nominal accelerating voltage of 5 kV and fits on a tabletop. A detailed discussion of the electron-sample interaction processes is presented, and the mean free path for total electron scattering was calculated to be 15 nm for organic samples at 5 kV. The total end point dose for the destruction of crystallinity at 5 kV was estimated at 5x10 -4 and 3.5x10 -2 C/cm 2 for polyethylene and pentacene, respectively. These values are significantly lower than those measured at voltages greater than 100 kV. A defocus series of colloidal gold particles allowed us to estimate the experimental contrast transfer function of the microscope. Images taken of several organic materials have shown high contrast for low atomic number elements and a resolution of 2.5 nm. The materials studied here include thin films of the organic semiconductor pentacene, triblock copolymer films, single-molecule dendrimers, electrospun polymer fibers and gold nanoparticles

  9. 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.

  10. Red phosphorescent organic light-emitting diodes using pyridine based electron transport type triplet host materials

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Soon Ok [Department of Polymer Science and Engineering, Dankook University, Jukjeon-dong, Suji-gu, Yongin-si, Gyeonggi-do 448-701 (Korea, Republic of); Lee, Jun Yeob, E-mail: leej17@dankook.ac.kr [Department of Polymer Science and Engineering, Dankook University, Jukjeon-dong, Suji-gu, Yongin-si, Gyeonggi-do 448-701 (Korea, Republic of)

    2011-05-16

    Research highlights: {yields} Pyridine based host material for red phosphorescent organic light emitting diode. {yields} Device optimization at low doping concentration of 2%. {yields} Simplified red phosphorescent organic light emitting diodes. - Abstract: Pyridine based electron transport type host materials were developed and their device performances were investigated according to doping concentration. The pyridine substituent was combined with a spirofluorenebenzofluorene core unit and a high quantum efficiency of 13.3% was achieved in red phosphorescent organic light-emitting diodes at a low doping concentration of 2%. A simple red device without any electron transport layer could be fabricated and a simple device without any electron transport layer showed better power efficiency than the standard device with an electron transport layer.

  11. 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.

  12. 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.

  13. Electronic Warfare in Army Models - A Survey.

    Science.gov (United States)

    1980-08-01

    CCM) PROVING GROUND TENIAS SAMJAM EIEM SPREAD SPECTRUM US ARMY ELECTRONIC FOREIGN SCIENCE & OFFICE OF MISSILE WARFARE LAB (EWL) TECHNOLOGY CENTER...IPAR MULTIRADAR SPREAD SPECTRUM ECMFUZ IRSS OTOALOC TAC ZINGERS EIEM ITF PATCOM TAM EOCM SIM FAC MGM-H4D RFSS TENIAS GTSF MG(-H4H ROLJAM ZAP I HMSM MSL...USAFAS TRASANA USAPAS TCF ASD WPAFU TENIAS ______ ___ ECAC _________ WAR EAGLE _________CATRADA WARRANT am________ 3DBDM ZAP 1 ____________ MEW EWL ZAP 2

  14. Reliability Modeling of Critical Electronic Devices.

    Science.gov (United States)

    1983-05-01

    Electronics, Vol. QE-15, No. 1, up January 1979, pp. 11-13. 15. Newman, D.H. and Ritchie, S., Degradation Pnenomena in Gallium Aluminium Arsenide Stripe...8217RESERVOIR COLD CATHODE TRAP FIGURE 7.2-1: HELIUM-CADMIUM LASER TUBE Principle design considerations relating to the lifetime of the device include (Ref 1): o...available in two basic design types. The contact design is either screw machined or stamped and formed. The screw machined contacts are close entry

  15. Mathematical model I. Electron and quantum mechanics

    OpenAIRE

    Nitin Ramchandra Gadre

    2011-01-01

    The basic particle electron obeys various theories like electrodynamics, quantum mechanics and special relativity. Particle under different experimental conditions behaves differently, allowing us to observe different characteristics which become basis for these theories. In this paper, we have made an attempt to suggest a classical picture by studying the requirements of these three modern theories. The basic presumption is: There must be certain structural characteristics in a particle like...

  16. 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.

  17. 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...

  18. 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.

  19. Electronic excited states of Si(100) and organic molecules adsorbed on Si(100).

    Science.gov (United States)

    Besley, Nicholas A; Blundy, Adam J

    2006-02-02

    The electronically excited states of the Si(100) surface and acetylene, benzene, and 9,10-phenanthrenequinone adsorbed on Si(100) are studied with time-dependent density functional theory. The computational cost of these calculations can be reduced through truncation of the single excitation space. This allows larger cluster models of the surface in conjunction with large adsorbates to be studied. On clean Si(100), the low-lying excitations correspond to transitions between the pi orbitals of the silicon-silicon dimers. These excitations are predicted to occur in the range 0.4-2 eV. When organic molecules are adsorbed on the surface, surface --> molecule, molecule --> surface, and electronic excitations localized within the adsorbate are also observed at higher energies. For acetylene and benzene, the remaining pipi* excitations are found to lie at lower energies than in the corresponding gas-phase species. Even though the aromaticity of 9,10-phenanthrenequinone is retained, significant shifts in the pipi* excitations of the aromatic rings are predicted. This is in part due to structural changes that occur upon adsorption.

  20. A silver-free, reflective substrate electrode for electron extraction in top-illuminated organic photovoltaics.

    Science.gov (United States)

    Tyler, Martin S; Hutter, Oliver S; Walker, Marc; Hatton, Ross A

    2015-04-27

    The choice of metals suitable as the reflective substrate electrode for top-illuminated organic photovoltaics (OPVs) is extremely limited. Herein, we report a novel substrate electrode for this class of OPV architecture based on an Al | Cu | AlOx triple-layer structure, which offers a reflectivity comparable to that of Al over the wavelength range 400-900 nm, a work function suitable for efficient electron extraction in OPVs and high stability towards oxidation. In addition to demonstrating the advantage of this composite electrode over Al in model top-illuminated OPVs, we also present the results of a photoelectron spectroscopy study, which show that an oxidised 0.8 nm Al layer deposited by thermal evaporation onto an Al | Cu reflective substrate electrode is sufficient to block oxidation of the underlying Cu by air or during deposition of a ZnO1-x electron-transport layer. This is remarkable given that the self-limiting oxide thickness on Al metal is greater than 2 nm. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Electronic Business Development as a Sustainable Competitive Advantage Model

    Directory of Open Access Journals (Sweden)

    Narimantas Kazimieras Paliulis

    2012-07-01

    Full Text Available The paper examines the practical usefulness of information technologies in business reviewing electronic business concepts provided in science literature and also the newest tendencies of electronic business development. The paper offers a review of various authors works on e-strategies and IT influence on companies’ functionality. An analysis of disadvantages in various electronic business development models is provided. On the basis of analyses done on the theory of electronic business development and on disadvantages of e-business models, the main aspects of e-business development as sustainable competitive advantage are identified. A fully – formed model of electronic business development as sustainable competitive advantage is presented. Conclusions are provided.Article in Lithuanian

  2. Dynamical mechanism of charge separation by photoexcited generation of proton–electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Kentaro, E-mail: kyamamoto@fukui.kyoto-u.ac.jp; Takatsuka, Kazuo, E-mail: kaztak@fukui.kyoto-u.ac.jp

    2016-08-22

    Graphical abstract: Asymptotic biradical state produced by the excited-state coupled proton–electron transfer (CPET), resulting in charge separation (proton–electron pair creation) on a proton–electron acceptor A, in a series of photochemical systems generally denoted as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole, or ammonia clusters). - Abstract: In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton–electron pair creation) relevant to the photoinduced water-splitting reaction (2H{sub 2}O → 4H{sup +} + 4e{sup −} + O{sub 2}) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton

  3. A Unified Model of Secondary Electron Cascades in Diamond

    Energy Technology Data Exchange (ETDEWEB)

    Ziaja, B; London, R A; Hajdu, J

    2004-10-13

    In this paper we present a detailed and unified theoretical treatment of secondary electron cascades that follow the absorption of an X-ray photon. 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 0.1-10 keV. The present paper expands our earlier work 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 {le} 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 late time 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.

  4. 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.

  5. 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

    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...... the minimum was shifted towards the lower concentrations, which might be explained by some overlap of the energy levels on CS2 and SF6. Antiinhibition effect of C6F6 and CS2 was studied in 0.05 M CCl4/hexane solutions. In the CS2 case first a small minimum appeared in the Ps yield versus CS2 concentration...... curve. Alcohol clusters did not show antiinhibition in 0.05 M CCl4/neopentane system. Weak electron scavengers (C6F6, naphthalene, biphenyl, benzene) which generally act as antiinhibitors were added to pure non-polar solvents (hexane, isooctane, cyclohexane) and caused Ps enhancement. This can...

  6. New two-fluid (localized + band electron) model for manganites

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. New two-fluid (localized + band electron) model for manganites. ( With HR Krishnamurthy,GV Pai,SR Hassan,V Shenoy,. Key ideas: T Gupta ….) Two types of eg electronic states arise in doped manganites (due to strong JT coupling, strong U, filling conditions, …):.

  7. 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…

  8. 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.…

  9. Python framework for kinetic modeling of electronically excited reaction pathways

    Science.gov (United States)

    Verboncoeur, John; Parsey, Guy; Guclu, Yaman; Christlieb, Andrew

    2012-10-01

    The use of plasma energy to enhance and control the chemical reactions during combustion, a technology referred to as ``plasma assisted combustion'' (PAC), can result in a variety of beneficial effects: e.g. stable lean operation, pollution reduction, and wider range of p-T operating conditions. While experimental evidence abounds, theoretical understanding of PAC is at best incomplete, and numerical tools still lack in reliable predictive capabilities. In the context of a joint experimental-numerical effort at Michigan State University, we present here an open-source modular Python framework dedicated to the dynamic optimization of non-equilibrium PAC systems. Multiple sources of experimental reaction data, e.g. reaction rates, cross-sections and oscillator strengths, are used in order to quantify the effect of data uncertainty and limiting assumptions. A collisional-radiative model (CRM) is implemented to organize reactions by importance and as a potential means of measuring a non-Maxwellian electron energy distribution function (EEDF), when coupled to optical emission spectroscopy data. Finally, we explore scaling laws in PAC parameter space using a kinetic global model (KGM) accelerated with CRM optimized reaction sequences and sparse stiff integrators.

  10. Modulating the electronic and optical properties of monolayer arsenene phases by organic molecular doping

    Science.gov (United States)

    Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh; Sahoo, Satyaprakash

    2017-12-01

    Recently, arsenene monolayer structure of the arsenic with two phases has displayed semiconducting behavior. We have systematically investigated the electronic and optical properties of single-layer arsenene with two types of functionalized organic molecules; an electrophilic molecule [tetracyanoquinodimethane (TCNQ)] and a nucleophilic molecule [tetrathiafulvalene (TTF)], as an electron acceptor and electron donor, respectively. The interfacial charge transfer between the arsenene monolayer and TCNQ/TTF molecules extensively reduces the band gap of arsenene and accordingly resulted in a p- or n-type semiconducting behavior, respectively. We have also performed the interfacial charge transfer from organic molecules to monolayer arsenene and vice versa. The interfacial surface molecular modification has established an efficient way to develop the light harvesting of arsenene in different polarization directions. Our theoretical investigation suggests that such n- and p-type arsenene semiconductors would broaden the applications in the field of nanoelectronic and optoelectronic devices such as photodiodes and it is also useful for constructing functional electronic systems.

  11. Electronic Modeling and Design for Extreme Temperatures Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We are developing CAD tools, models and methodologies for electronics design for circuit operation in extreme environments with focus on very low temperatures...

  12. 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.

  13. Modeling global persistent organic chemicals in clouds

    Science.gov (United States)

    Mao, Xiaoxuan; Gao, Hong; Huang, Tao; Zhang, Lisheng; Ma, Jianmin

    2014-10-01

    A cloud model was implemented in a global atmospheric transport model to simulate cloud liquid water content and quantify the influence of clouds on gas/aqueous phase partitioning of persistent organic chemicals (POCs). Partitioning fractions of gas/aqueous and particle phases in clouds for three POCs α-hexachlorocyclohexane (α-HCH), polychlorinated biphenyl-28 (PCB-28), and PCB-138 in a cloudy atmosphere were estimated. Results show that the partition fraction of these selected chemicals depend on cloud liquid water content (LWC) and air temperature. We calculated global distribution of water droplet/ice particle-air partitioning coefficients of the three chemicals in clouds. The partition fractions at selected model grids in the Northern Hemisphere show that α-HCH, a hydrophilic chemical, is sorbed strongly onto cloud water droplets. The computed partition fractions at four selected model grids show that α-HCH tends to be sorbed onto clouds over land (source region) from summer to early fall, and over ocean from late spring to early fall. 20-60% of α-HCH is able to be sorbed to cloud waters over mid-latitude oceans during summer days. PCB-138, one of hydrophobic POCs, on the other hand, tends to be sorbed to particles in the atmosphere subject to air temperature. We also show that, on seasonal or annual average, 10-20% of averaged PCB-28 over the Northern Hemisphere could be sorbed onto clouds, leading to reduction of its gas-phase concentration in the atmosphere.

  14. Electron spin relaxation in organic semiconductors probed through {mu}SR

    Energy Technology Data Exchange (ETDEWEB)

    Nuccio, L; Willis, M; Drew, A J [Queen Mary University of London, Department of Physics, Mile End Road, London, E1 4NS (United Kingdom); Schulz, L; Bernhard, C [Department of Physics and FriMat, University of Fribourg, Ch. du Musee 3, 1700 Fribourg, CH (Germany); Pratt, F L [ISIS Muon Facility, Rutherford Appleton Laboratory, Didcot, OX11 0QX (United Kingdom); Heeney, M; Stingelin, N, E-mail: l.nuccio@qmul.ac.uk [Centre for Plastic Electronics, Imperial College London, Exhibition Road, London, SW7 2AZ, London (United Kingdom)

    2011-04-01

    Muon spin spectroscopy and in particular the avoided level crossing technique is introduced, with the aim of showing it as a very sensitive local probe for electron spin relaxation in organic semiconductors. Avoided level crossing data on TMS-pentacene at different temperatures are presented, and they are analysed to extract the electron spin relaxation rate, that is shown to increase on increasing the temperature from 0.02 MHz to 0.33 MHz at 3 K and 300 K respectively.

  15. Integrating Organ Motion and Setup Uncertainty into Optimization of Modulated Electron Beam Treatment of Breast Cancer

    National Research Council Canada - National Science Library

    Pawlicki, Todd

    2003-01-01

    This document describes the research accomplishments of the Department of Defense funded research to develop, implement, and evaluate models of organ motion and setup uncertainty for dose calculation...

  16. 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.......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....

  17. 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

  18. 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)

  19. 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.

  20. 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

  1. Browsing the Real World using Organic Electronics, Si-Chips, and a Human Touch.

    Science.gov (United States)

    Berggren, Magnus; Simon, Daniel T; Nilsson, David; Dyreklev, Peter; Norberg, Petronella; Nordlinder, Staffan; Ersman, Peter Andersson; Gustafsson, Göran; Wikner, J Jacob; Hederén, Jan; Hentzell, Hans

    2016-03-09

    Organic electronics have been developed according to an orthodox doctrine advocating "all-printed'', "all-organic'' and "ultra-low-cost'' primarily targeting various e-paper applications. In order to harvest from the great opportunities afforded with organic electronics potentially operating as communication and sensor outposts within existing and future complex communication infrastructures, high-quality computing and communication protocols must be integrated with the organic electronics. Here, we debate and scrutinize the twinning of the signal-processing capability of traditional integrated silicon chips with organic electronics and sensors, and to use our body as a natural local network with our bare hand as the browser of the physical world. The resulting platform provides a body network, i.e., a personalized web, composed of e-label sensors, bioelectronics, and mobile devices that together make it possible to monitor and record both our ambience and health-status parameters, supported by the ubiquitous mobile network and the resources of the "cloud". © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. 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.

  3. 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

  4. Bonding and Molecular Geometry without Orbitals- The Electron Domain Model

    Science.gov (United States)

    Gillespie, Ronald J.; Spencer, James N.; Moog, Richard S.

    1996-07-01

    An alternative to the conventional valence bond approach to bonding and geometry-the electron domain model-is presented. This approach avoids some of the problems with the standard approach and presents fewer difficulties for the student, while still providing a physical basis for the VSEPR model and a link to the valence bond model. The electron domain model also emphasizes the importance of the Pauli principle in understanding the chemical bond and molecular geometry. A letter from Derek W. Smith in our April 2000 issue addresses the above.

  5. Direct fabrication of diffraction grating onto organic single crystals by electron beam lithography

    Science.gov (United States)

    Kawata, Yoshihiro; Aoki, Kazuki; Inada, Yuhi; Yamao, Takeshi; Hotta, Shu

    2018-03-01

    We have directly fabricated a diffraction grating onto platelike single crystals made of an organic semiconducting oligomer by electron beam lithography followed by reactive-ion etching. The decrease in the grating period resulted in photoexcited spectrally narrowed emission peaks related to the first-order diffraction from the crystal edge without outstanding quenching of the crystal. This work is expected to lead to the realization of organic semiconductor lasers.

  6. Investigation of the Optical and Electronic Properties of Crystalline Organic Materials

    Science.gov (United States)

    1990-06-14

    their crystal structures. Recently, we have measured the dielectric properties of an archetype crystalline organic material --- PTCDA6 , and found... archetype compound PTCDA in order to understand their optical and electronic properties. Crystalline organic semiconductor heterojunctions (HJs) have...Mendez, L.L. Chang, and Esaki, Phys. Rev., B26 1974(1982) 26 y. Shinozuka and M. Matsuura, Phys. Rev., B28, 487 8(1983) 2 7 E.O. Gobel, H. Jung , J

  7. 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

  8. 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.

  9. 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.

  10. A model for electron/ion recombination in ionization chambers

    International Nuclear Information System (INIS)

    Sailor, W.C.

    1988-05-01

    The recombination of free electrons and positive ions along charged particle tracks in gases has been modeled using electron tranport equations, which assume homogeneous distribution in the vicinity of the tracks. The equations include space charge terms, which have been negelected in previous models. A formula for the electron yield as a function of detector applied potential is obtained from a perturbation solution valid when the ratio of the Debye length to the charge column radius is larger then unity. When this ratio is very large, the formula reduces to that of previous models. Pulse height measurements in a 3 He ionization chamber indicate 2% to 30% losses to recombination which vary with applied field, particle type, and energy. Using reasonable values for the electron transport coefficients, the calculated loss of signal to recommendation is generally in agreement with experiment, but the variation with applied bias is stronger in the experiment

  11. Organic Power Electronics: Transistor Operation in the kA/cm2Regime.

    Science.gov (United States)

    Klinger, Markus P; Fischer, Axel; Kaschura, Felix; Widmer, Johannes; Kheradmand-Boroujeni, Bahman; Ellinger, Frank; Leo, Karl

    2017-03-17

    In spite of interesting features as flexibility, organic thin-film transistors have commercially lagged behind due to the low mobilities of organic semiconductors associated with hopping transport. Furthermore, organic transistors usually have much larger channel lengths than their inorganic counterparts since high-resolution structuring is not available in low-cost production schemes. Here, we present an organic permeable-base transistor (OPBT) which, despite extremely simple processing without any high-resolution structuring, achieve a performance beyond what has so far been possible using organic semiconductors. With current densities above 1 kA cm -2 and switching speeds towards 100 MHz, they open the field of organic power electronics. Finding the physical limits and an effective mobility of only 0.06 cm 2  V -1  s -1 , this OPBT device architecture has much more potential if new materials optimized for its geometry will be developed.

  12. 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.

  13. Grafted organic monolayer for single electron transport and for quantum dots solar cells

    Science.gov (United States)

    Caillard, Louis Marie

    Functionalization of oxide-free silicon and silicon oxide surfaces is important for a number of applications. In this work, organic monolayers are grafted (GOM) on oxide-free silicon surfaces using thermal and ultraviolet-activated hydrosilylation of hydrogen-terminated silicon surfaces, primarily using Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy for characterization. The resulting amine-terminated GOM have been used for depositing nanoparticles, selecting the end group for two very specific applications: single electron devices and nano-quantum-dot (NQD) enhanced Si photovoltaic cells. To perform single-electron transport measurements, colloidal gold nanoparticles have been deposited on amine-functionalized silicon surfaces and tunneling measurements performed with a scanning tunneling microscope in an ultra-high vacuum chamber. Using a double-barrier tunneling junction (with the GOM as the first barrier and the vacuum between the scanning tip and the gold nanoparticle as the second one), single-electron transport was observed at 30K through a Coulomb staircase phenomenon. The critical parameters were identified to improve reproducibility. Finally, recently developed advanced modeling, based on traditional "orthodox" theory, was optimized to account for the observations (e.g. I-V dependence on band bending). This work provides a basis for the development of single-electron transistors that are compatible with current silicon based technology. To enhance standard silicon-based solar cells, GOM is also needed to graft strongly absorbing II-VI NQDs and optimize their energy transfer to the silicon substrate. Recent photoluminescence spectroscopy has demonstrated that energy transfer occurs through both radiative and non-radiative mechanisms between NQDs and the substrate. With grafting technology, the aim was to optimize absorption, as probed by photoluminescence, in two ways. First, silicon nanopillars were fabricated to increase the

  14. Task Flow Modeling in Electronic Business Environments

    Directory of Open Access Journals (Sweden)

    2007-01-01

    Full Text Available In recent years, internet based commerce has developed as a new paradigm. Many factors such as "at home delivery", easy ordering, and usually lower prices contributed to the success of the e-commerce. However, more recently, companies realized that one of the major factors in having a successful internet based business is the design of a user interface that is in concordance with the users' expectations, which includes both functionality and user friendly features. The func-tionality feature of an e-business interface is one of the most important elements when discussing about a specific internet based business. In our paper, we present methods to model task flows for e-business interfaces. We strengthen our study with the design modeling of a practical scenario that may appear in an on-line commercial environment.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. The electronic structure engineering of organic dye sensitizers for solar cells: The case of JK derivatives.

    Science.gov (United States)

    Zhang, Cai-Rong; Ma, Jin-Gang; Zhe, Jian-Wu; Jin, Neng-Zhi; Shen, Yu-Lin; Wu, You-Zhi; Chen, Yu-Hong; Liu, Zi-Jiang; Chen, Hong-Shan

    2015-11-05

    The design and development of novel dye sensitizers are effective method to improve the performance of dye-sensitized solar cells (DSSCs) because dye sensitizers have significant influence on photo-to-current conversion efficiency. In the procedure of dye sensitizer design, it is very important to understand how to tune their electronic structures and related properties through the substitution of electronic donors, acceptors, and conjugated bridges in dye sensitizers. Here, the electronic structures and excited-state properties of organic JK dye sensitizers are calculated by using density functional theory (DFT) and time dependent DFT methods. Based upon the calculated results, we investigated the role of different electronic donors, acceptors, and π-conjugated bridges in the modification of electronic structures, absorption properties, as well as the free energy variations for electron injection and dye regeneration. In terms of the analysis of transition configurations and molecular orbitals, the effective chromophores which are favorable for electron injection in DSSCs are addressed. Meanwhile, considering the absorption spectra and free energy variation, the promising electronic donors, π-conjugated bridges, and acceptors are presented to design dye sensitizers. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Classical Antiferromagnetism in Kinetically Frustrated Electronic Models

    Science.gov (United States)

    Sposetti, C. N.; Bravo, B.; Trumper, A. E.; Gazza, C. J.; Manuel, L. O.

    2014-05-01

    We study, by means of the density matrix renormalization group, the infinite U Hubbard model—with one hole doped away from half filling—in triangular and square lattices with frustrated hoppings, which invalidate Nagaoka's theorem. We find that these kinetically frustrated models have antiferromagnetic ground states with classical local magnetization in the thermodynamic limit. We identify the mechanism of this kinetic antiferromagnetism with the release of the kinetic energy frustration, as the hole moves in the established antiferromagnetic background. This release can occur in two different ways: by a nontrivial spin Berry phase acquired by the hole, or by the effective vanishing of the hopping amplitude along the frustrating loops.

  2. 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,…

  3. 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

  4. 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…

  5. 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.

  6. Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices

    International Nuclear Information System (INIS)

    Chen Duan; Wei Guowei

    2010-01-01

    The miniaturization of nano-scale electronic devices, such as metal oxide semiconductor field effect transistors (MOSFETs), has given rise to a pressing demand in the new theoretical understanding and practical tactic for dealing with quantum mechanical effects in integrated circuits. Modeling and simulation of this class of problems have emerged as an important topic in applied and computational mathematics. This work presents mathematical models and computational algorithms for the simulation of nano-scale MOSFETs. We introduce a unified two-scale energy functional to describe the electrons and the continuum electrostatic potential of the nano-electronic device. This framework enables us to put microscopic and macroscopic descriptions in an equal footing at nano-scale. By optimization of the energy functional, we derive consistently coupled Poisson-Kohn-Sham equations. Additionally, layered structures are crucial to the electrostatic and transport properties of nano-transistors. A material interface model is proposed for more accurate description of the electrostatics governed by the Poisson equation. Finally, a new individual dopant model that utilizes the Dirac delta function is proposed to understand the random doping effect in nano-electronic devices. Two mathematical algorithms, the matched interface and boundary (MIB) method and the Dirichlet-to-Neumann mapping (DNM) technique, are introduced to improve the computational efficiency of nano-device simulations. Electronic structures are computed via subband decomposition and the transport properties, such as the I-V curves and electron density, are evaluated via the non-equilibrium Green's functions (NEGF) formalism. Two distinct device configurations, a double-gate MOSFET and a four-gate MOSFET, are considered in our three-dimensional numerical simulations. For these devices, the current fluctuation and voltage threshold lowering effect induced by the discrete dopant model are explored. Numerical convergence

  7. Theoretical model of fast electron emission from surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Reinhold, C.; Burgdoerfer, J. [Univ. of Tennessee, Knoxville, TN (United States)]|[Oak Ridge National Laboratory, TN (United States)

    1993-05-01

    Electron emission in glancing-angle ion-surface collisions has become a focus of ion-surface interactions. Electron spectra can provide detailed information on the above surface neutralization dynamics of multiply charged ions, the electronic structure of the surface (surface density of states), and the long-ranged image interactions near the surface. Recent experiments have found that the convoy peak, well known from ion-atom and ion-solid collisions, is dramatically altered. The peak is broadened and shifted in energy which has been attributed to dynamical image interactions. We present a microscopic model for the emission of fast electrons in glancing-angle surface collisions. A classical trajectory Monte Carlo approach is utilized to calculate the evolution of electrons in the presence of their self image, the projectile Coulomb field and the image potential induced by the projectile. The excitation of collective surface modes is also incorporated.

  8. 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.

  9. 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

  10. COMPUTER MODEL FOR ORGANIC FERTILIZER EVALUATION

    Directory of Open Access Journals (Sweden)

    Zdenko Lončarić

    2009-12-01

    Full Text Available Evaluation of manures, composts and growing media quality should include enough properties to enable an optimal use from productivity and environmental points of view. The aim of this paper is to describe basic structure of organic fertilizer (and growing media evaluation model to present the model example by comparison of different manures as well as example of using plant growth experiment for calculating impact of pH and EC of growing media on lettuce plant growth. The basic structure of the model includes selection of quality indicators, interpretations of indicators value, and integration of interpreted values into new indexes. The first step includes data input and selection of available data as a basic or additional indicators depending on possible use as fertilizer or growing media. The second part of the model uses inputs for calculation of derived quality indicators. The third step integrates values into three new indexes: fertilizer, growing media, and environmental index. All three indexes are calculated on the basis of three different groups of indicators: basic value indicators, additional value indicators and limiting factors. The possible range of indexes values is 0-10, where range 0-3 means low, 3-7 medium and 7-10 high quality. Comparing fresh and composted manures, higher fertilizer and environmental indexes were determined for composted manures, and the highest fertilizer index was determined for composted pig manure (9.6 whereas the lowest for fresh cattle manure (3.2. Composted manures had high environmental index (6.0-10 for conventional agriculture, but some had no value (environmental index = 0 for organic agriculture because of too high zinc, copper or cadmium concentrations. Growing media indexes were determined according to their impact on lettuce growth. Growing media with different pH and EC resulted in very significant impacts on height, dry matter mass and leaf area of lettuce seedlings. The highest lettuce

  11. Organic polyaromatic hydrocarbons as sensitizing model dyes for semiconductor nanoparticles.

    Science.gov (United States)

    Zhang, Yongyi; Galoppini, Elena

    2010-04-26

    The study of interfacial charge-transfer processes (sensitization) of a dye bound to large-bandgap nanostructured metal oxide semiconductors, including TiO(2), ZnO, and SnO(2), is continuing to attract interest in various areas of renewable energy, especially for the development of dye-sensitized solar cells (DSSCs). The scope of this Review is to describe how selected model sensitizers prepared from organic polyaromatic hydrocarbons have been used over the past 15 years to elucidate, through a variety of techniques, fundamental aspects of heterogeneous charge transfer at the surface of a semiconductor. This Review does not focus on the most recent or efficient dyes, but rather on how model dyes prepared from aromatic hydrocarbons have been used, over time, in key fundamental studies of heterogeneous charge transfer. In particular, we describe model chromophores prepared from anthracene, pyrene, perylene, and azulene. As the level of complexity of the model dye-bridge-anchor group compounds has increased, the understanding of some aspects of very complex charge transfer events has improved. The knowledge acquired from the study of the described model dyes is of importance not only for DSSC development but also to other fields of science for which electronic processes at the molecule/semiconductor interface are relevant.

  12. 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.

  13. A New Perspective for Modeling Power Electronics Converters : Complementarity Framework

    NARCIS (Netherlands)

    Vasca, Francesco; Iannelli, Luigi; Camlibel, M. Kanat; Frasca, Roberto

    2009-01-01

    The switching behavior of power converters with "ideal" electronic devices (EDs) makes it difficult to define a switched model that describes the dynamics of the converter in all possible operating conditions, i.e., a "complete" model. Indeed, simplifying assumptions on the sequences of modes are

  14. Test of theoretical models for ultrafast heterogeneous electron ...

    Indian Academy of Sciences (India)

    Administrator

    with the predictions of different theoretical models for light-induced ultrafast heterogeneous electron transfer (HET). ... theory model based on molecular dynamics simulations for the vibrational modes were also considered. Based on the known vibrational .... Pseudo 3D map of a 2PPE measurement with. Pe' achored via the ...

  15. 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

  16. 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

  17. Organic production in a dynamic CGE model

    DEFF Research Database (Denmark)

    Jacobsen, Lars Bo

    2004-01-01

    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...... agricultural sector and each secondary food industry has been split into two separate industries: one producing organic products, the other producing conventional products. The substitution nests in private consumption have also been altered to emphasise the pair wise substitution between organic...... and conventional products. One of the most important regulations regarding organic production concerns the conversion period, that is the period where the farmer starts to use organic production methods until the farmland and the production are considered organic. Currently organic production methods have...

  18. Organic Electronics: An El Dorado in the Quest of New Photocatalysts for Polymerization Reactions.

    Science.gov (United States)

    Dumur, Frédéric; Gigmes, Didier; Fouassier, Jean-Pierre; Lalevée, Jacques

    2016-09-20

    Photoinitiated polymerization has been the subject of continued research efforts due to the numerous applications in which this polymerization technique is involved (coatings, inks, adhesives, optoelectronic, laser imaging, stereolithography, nanotechnology, etc.). More recently, photopolymerization has received renewed interest due to the emergence of 3D-printing technologies. However, despite current academic and industrial interest in photopolymerization methodologies, a major limitation lies in the slow rates of photopolymerization. The development of new photoinitiating systems aimed at addressing this limitation is an active area of research. Photopolymerization occurs through the exposure of a curable formulation to light, generating radical and/or cationic species to initiate polymerization. At present, photopolymerization is facing numerous challenges related to safety, economic and ecological concerns. Furthermore, practical considerations such as the curing depth and the competition for light absorption between the chromophores and other species in the formulation are key parameters drastically affecting the photopolymerization process. To address these issues, photoinitiating systems operating under low intensity visible light irradiation, in the absence of solvents are highly sought after. In this context, the use of photoredox catalysis can be highly advantageous; that is, photoredox catalysts can provide high reactivities with low catalyst loading, permitting access to high performance photoinitiating systems. However, to act as efficient photoredox catalysts, specific criteria have to be fulfilled. A strong absorption over the visible range, an ability to easily oxidize or reduce as well as sufficient photochemical stability are basic prerequisites to make these molecules desirable candidates for photoredox catalysis. Considering the similarity of requirements between organic electronics and photopolymerization, numerous materials initially designed

  19. MODEL OF ELECTRON CLOUD INSTABILITY IN FERMILAB RECYCLER

    Energy Technology Data Exchange (ETDEWEB)

    Antipov, Sergey A. [Chicago U.; Burov, A. [Fermilab; Nagaitsev, S. [Fermilab

    2016-10-04

    An electron cloud instability might limit the intensity in the Fermilab Recycler after the PIP-II upgrade. A multibunch instability typically develops in the horizontal plane within a hundred turns and, in certain conditions, leads to beam loss. Recent studies have indicated that the instability is caused by an electron cloud, trapped in the Recycler index dipole magnets. We developed an analytical model of an electron cloud driven instability with the electrons trapped in combined function dipoles. The resulting instability growth rate of about 30 revolutions is consistent with experimental observations and qualitatively agrees with the simulation in the PEI code. The model allows an estimation of the instability rate for the future intensity upgrades.

  20. 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.

  1. 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.

  2. 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 management of care transitions by physician organizations. © Health Research and Educational Trust.

  3. High throughput ab initio modeling of charge transport for bio-molecular-electronics

    Science.gov (United States)

    Bruque, Nicolas Alexander

    2009-12-01

    Self-assembled nanostructures, composed of inorganic and organic materials, have multiple applications in the fields of engineering and nanotechnology. Experimental research using nanoscaled materials, such as semiconductor/metallic nanocrystals, nanowires (NW), and carbon nanotube (CNT)-molecular systems have potential applications in next generation nano electronic devices. Many of these molecular systems exhibit electronic device functionality. However, experimental analytical techniques to determine how the chemistry and geometry affects electron transport through these devices does not yet exist. Using theory and modeling, one can approximate the chemistry and geometry at the atomic level and also determine how the chemistry and geometry governs electron current. Nanoelectronic devices however, contain several thousand atoms which makes quantum modeling difficult. Popular atomistic modeling approaches are capable of handling small molecular systems, which are of scientific interest, but have little engineering value. The lack of large scale modeling tools has left the scientific and engineering community with a limited ability to understand, explore, and design complex systems of engineering interest. To address these issues, I have developed a high performance general quantum charge transport model based on the non-equilibrium Green function (NEGF) formalism using density functional theory (DFT) as implemented in the FIREBALL software. FIREBALL is a quantum molecular dynamics code which has demonstrated the ability to model large molecular systems. This dissertation project of integrating NEGF into FIREBALL provides researchers with a modeling tool capable of simulating charge current in large inorganic/organic systems. To provide theoretical support for experimental efforts, this project focused on CNT-molecular systems, which includes the discovery of a CNT-molecular resonant tunneling diode (RTD) for electronic circuit applications. This research also

  4. Transformer Model in Wide Frequency Bandwidth for Power Electronics Systems

    OpenAIRE

    Gonzalez-Garcia, Carlos; Pleite, Jorge

    2013-01-01

    The development of the smart grids leads to new challenges on the power electronics equipment and power transformers. The use of power electronic transformer presents several advantages, but new problems related with the application of high frequency voltage and current components come across. Thus, an accurate knowledge of the transformer behavior in a wide frequency range is mandatory. A novel modeling procedure to relate the transformer physical behavior and its frequency response by means...

  5. Modeling electron fractionalization with unconventional Fock spaces

    Science.gov (United States)

    Cobanera, Emilio

    2017-08-01

    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 D=1,2,3,\\ldots 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.

  6. Dynamical mechanism of charge separation by photoexcited generation of proton-electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study

    Science.gov (United States)

    Yamamoto, Kentaro; Takatsuka, Kazuo

    2016-08-01

    In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton-electron pair creation) relevant to the photoinduced water-splitting reaction (2H2O → 4H+ + 4e- + O2) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X-Mn-OH2⋯A, where X = (OH, Ca(OH)3) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton and electron back to the originally donor site through the states of d-d band originated from Mn atom. Repetition of this process gradually annihilates the created pair of proton and electron in a way different from the usual charge recombination process. We address this dynamics by means of our proposed path-branching representation. The dynamical roles of a doped Ca atom are also uncovered, which are relevant to controlling the pathways of electron

  7. 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.

  8. Color stable white phosphorescent organic light emitting diodes with red emissive electron transport layer

    Energy Technology Data Exchange (ETDEWEB)

    Wook Kim, Jin; Yoo, Seung Il; Sung Kang, Jin [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan 336-795 (Korea, Republic of); Eun Lee, Song; Kwan Kim, Young [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Hwa Yu, Hyeong; Turak, Ayse [Department of Engineering Physics, McMaster University, Hamilton, Ontario L8S 4L7 (Canada); Young Kim, Woo, E-mail: wykim@hoseo.edu [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan 336-795 (Korea, Republic of); Department of Engineering Physics, McMaster University, Hamilton, Ontario L8S 4L7 (Canada)

    2015-06-28

    We analyzed the performance of multi-emissive white phosphorescent organic light-emitting diodes (PHOLEDs) in relation to various red emitting sites of hole and electron transport layers (HTL and ETL). The shift of the recombination zone producing stable white emission in PHOLEDs was utilized as luminance was increased with red emission in its electron transport layer. Multi-emissive white PHOLEDs including the red light emitting electron transport layer yielded maximum external quantum efficiency of 17.4% with CIE color coordinates (−0.030, +0.001) shifting only from 1000 to 10 000 cd/m{sup 2}. Additionally, we observed a reduction of energy loss in the white PHOLED via Ir(piq){sub 3} as phosphorescent red dopant in electron transport layer.

  9. Modeling adsorption and reactions of organic molecules at metal surfaces.

    Science.gov (United States)

    Liu, Wei; Tkatchenko, Alexandre; Scheffler, Matthias

    2014-11-18

    CONSPECTUS: The understanding of adsorption and reactions of (large) organic molecules at metal surfaces plays an increasingly important role in modern surface science and technology. Such hybrid inorganic/organic systems (HIOS) are relevant for many applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. Obviously, the predictive modeling and understanding of the structure and stability of such hybrid systems is an essential prerequisite for tuning their electronic properties and functions. At present, density-functional theory (DFT) is the most promising approach to study the structure, stability, and electronic properties of complex systems, because it can be applied to both molecules and solids comprising thousands of atoms. However, state-of-the-art approximations to DFT do not provide a consistent and reliable description for HIOS, which is largely due to two issues: (i) the self-interaction of the electrons with themselves arising from the Hartree term of the total energy that is not fully compensated in approximate exchange-correlation functionals, and (ii) the lack of long-range part of the ubiquitous van der Waals (vdW) interactions. The self-interaction errors sometimes lead to incorrect description of charge transfer and electronic level alignment in HIOS, although for molecules adsorbed on metals these effects will often cancel out in total energy differences. Regarding vdW interactions, several promising vdW-inclusive DFT-based methods have been recently demonstrated to yield remarkable accuracy for intermolecular interactions in the gas phase. However, the majority of these approaches neglect the nonlocal collective electron response in the vdW energy tail, an effect that is particularly strong in condensed phases and at interfaces between different materials. Here we show that the recently developed DFT+vdW(surf) method that accurately accounts for the collective electronic

  10. Ionospheric topside models compared with experimental electron density profiles

    Directory of Open Access Journals (Sweden)

    S. M. Radicella

    2005-06-01

    Full Text Available Recently an increasing number of topside electron density profiles has been made available to the scientific community on the Internet. These data are important for ionospheric modeling purposes, since the experimental information on the electron density above the ionosphere maximum of ionization is very scarce. The present work compares NeQuick and IRI models with the topside electron density profiles available in the databases of the ISIS2, IK19 and Cosmos 1809 satellites. Experimental electron content from the F2 peak up to satellite height and electron densities at fixed heights above the peak have been compared under a wide range of different conditions. The analysis performed points out the behavior of the models and the improvements needed to be assessed to have a better reproduction of the experimental results. NeQuick topside is a modified Epstein layer, with thickness parameter determined by an empirical relation. It appears that its performance is strongly affected by this parameter, indicating the need for improvements of its formulation. IRI topside is based on Booker's approach to consider two parts with constant height gradients. It appears that this formulation leads to an overestimation of the electron density in the upper part of the profiles, and overestimation of TEC.

  11. 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.

  12. In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach

    Science.gov (United States)

    Shityakov, Sergey; Roewer, Norbert; Förster, Carola; Broscheit, Jens-Albert

    2017-07-01

    The purpose of this study was to develop and implement an in silico model of indigoid-based single-electron transistor (SET) nanodevices, which consist of indigoid molecules from natural dye weakly coupled to gold electrodes that function in a Coulomb blockade regime. The electronic properties of the indigoid molecules were investigated using the optimized density-functional theory (DFT) with a continuum model. Higher electron transport characteristics were determined for Tyrian purple, consistent with experimentally derived data. Overall, these results can be used to correctly predict and emphasize the electron transport functions of organic SETs, demonstrating their potential for sustainable nanoelectronics comprising the biodegradable and biocompatible materials.

  13. 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

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

    Science.gov (United States)

    Edison, Arthur S; Hall, Robert D; Junot, Christophe; Karp, Peter D; Kurland, Irwin J; Mistrik, Robert; Reed, Laura K; Saito, Kazuki; Salek, Reza M; Steinbeck, Christoph; Sumner, Lloyd W; Viant, Mark R

    2016-02-15

    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.

  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. Femtosecond electron diffraction and spectroscopic studies of a solid state organic chemical reaction

    Science.gov (United States)

    Jean-Ruel, Hubert

    Photochromic diarylethene molecules are excellent model systems for studying electrocyclic reactions, in addition to having important technological applications in optoelectronics. The photoinduced ring-closing reaction in a crystalline photochromic diarylethene derivative was fully resolved using the complementary techniques of transient absorption spectroscopy and femtosecond electron crystallography. These studies are detailed in this thesis, together with the associated technical developments which enabled them. Importantly, the time-resolved crystallographic investigation reported here represents a highly significant proof-of-principle experiment. It constitutes the first study directly probing the molecular structural changes associated with an organic chemical reaction with sub-picosecond temporal and atomic spatial resolution---to follow the primary motions directing chemistry. In terms of technological development, the most important advance reported is the implementation of a radio frequency rebunching system capable of producing femtosecond electron pulses of exceptional brightness. The temporal resolution of this newly developed electron source was fully characterized using laser ponderomotive scattering, confirming a 435 +/- 75 fs instrument response time with 0.20 pC bunches. The ultrafast spectroscopic and crystallographic measurements were both achieved by exploiting the photoreversibility of diarylethene. The transient absorption study was first performed, after developing a novel robust acquisition scheme for thermally irreversible reactions in the solid state. It revealed the formation of an open-ring excited state intermediate, following photoexcitation of the open-ring isomer with an ultraviolet laser pulse, with a time constant of approximately 200 fs. The actual ring closing was found to occur from this intermediate with a time constant of 5.3 +/- 0.3 ps. The femtosecond diffraction measurements were then performed using multiple crystal

  17. Effect of potential electron acceptors on anoxic ammonia oxidation in the presence of organic carbon

    Energy Technology Data Exchange (ETDEWEB)

    Sabumon, P.C., E-mail: pcsabumon@yahoo.co.in [Environmental Engineering Division, School of Mechanical and Building Sciences, VIT University, Vellore 632 014 (India)

    2009-12-15

    A novel route of anoxic ammonia removal in the presence of organic carbon was identified recently from ecosystems contaminated with ammonia. Sequencing batch reactor (SBR) studies were carried out in anoxic condition at oxidation-reduction potential varied from -185 to -275 mV for anoxic ammonia oxidation with adapted biomass (mixed culture). SBR studies were carried out in absence and in the presence of externally added organic carbon and/or in the presence of inorganic electron acceptors like NO{sub 2}{sup -}, NO{sub 3}{sup -} and SO{sub 4}{sup 2-}. The results showed anoxic ammonia oxidation to nitrate (in contrast to reported anammox process) in the presence of organic carbon available through endogenous respiration whereas anoxic ammonia oxidation was effective in the presence of externally added organic compound for nitrogen removal. The presence of externally added inorganic electron acceptors like NO{sub 2}{sup -}, NO{sub 3}{sup -} and SO{sub 4}{sup 2-} was effective in anoxic ammonia oxidation, but failed to follow the reported anammox reaction's stoichiometry in nitrogen removal in the presence of organic carbon. However, the presence of NO{sub 2}{sup -} affected best in total nitrogen removal compared to other electron acceptors and maximum ammonia removal rate was 100 mg NH{sub 4}{sup +}/g MLVSS/d. Based on the results, it is possible to suggest that rate of anoxic ammonia oxidation depends up on the respiration activities of mixed culture involving organic carbon, NO{sub 2}{sup -}, NO{sub 3}{sup -} and SO{sub 4}{sup 2-}. The process shows possibilities of new pathways of ammonia oxidation in organic contaminated sediments and/or wastewater in anoxic conditions.

  18. Effects of the buffer layer inserted between the transparent conductive oxide anode and the organic electron donor

    Energy Technology Data Exchange (ETDEWEB)

    Godoy, A.; Kouskoussa, B.; Benchouk, K.; Khelil, A. [Facultad Ciencias de la Salud, Universidad Diego Portales, Ejercito 141, Santiago de Chile (Chile); Cattin, L.; Soto, G.M. [Universite de Nantes, Nantes Atlantique Universites, Institut des Materiaux Jean Rouxel (IMN)-CNRS, Faculte des Sciences et Techniques, 2 rue de la Houssiniere, BP 92208, Nantes F-44000 (France); Toumi, L. [LPCM2E, Universite d' Oran Es-Senia, LPCM2E (Algeria); Diaz, F.R.; del Valle, M.A. [Laboratorio de Polimeros, Facultad de Quimica, Pontificia Universidad Catolica de Chile, Casilla 306, Correo 22, Santiago (Chile); Morsli, M.; Bernede, J.C. [Universite de Nantes, Nantes Atlantique Universites, LAMP, Faculte des Sciences et Techniques, 2 rue de la Houssiniere, BP 92208, Nantes F-44000 (France)

    2010-04-15

    In optoelectronic devices, the work function of the transparent conductive oxide, which is used as anode, does not match well the highest occupied molecular orbital of the organic material, which induces the formation of a barrier opposed to hole exchange at this interface. Therefore a thin buffer layer is often used to achieve good matching of the band structure at the interface. From experimental results it can be deduced that the main effects of the buffer layer consist in a better matching of the band structure at the interface anode/organic material and in a more homogeneous organic layer growth. We show that, whatever the nature of the buffer layer-metal, oxide, organic material - the classical Schottky-Mott model allows to anticipate, at least roughly, the behaviour of the contact, even if some dipole effect are often present. A good correlation between the ''metal/buffer layer'' work function and the barrier {phi}{sub b} for hole exchange at anode/organic electron donor interfaces is obtained, as expected by the model. (author)

  19. 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

  20. Regional 4-D modeling of the ionospheric electron density

    Science.gov (United States)

    Schmidt, M.; Bilitza, D.; Shum, C. K.; Zeilhofer, C.

    2008-08-01

    The knowledge of the electron density is the key point in correcting ionospheric delays of electromagnetic measurements and in studying the ionosphere. During the last decade GNSS, in particular GPS, has become a promising tool for monitoring the total electron content (TEC), i.e., the integral of the electron density along the ray-path between the transmitting satellite and the receiver. Hence, geometry-free GNSS measurements provide informations on the electron density, which is basically a four-dimensional function depending on spatial position and time. In addition, these GNSS measurements can be combined with other available data including nadir, over-ocean TEC observations from dual-frequency radar altimetry (T/P, JASON, ENVISAT), and TECs from GPS-LEO occultation systems (e.g., FORMOSAT-3/COSMIC, CHAMP) with heterogeneous sampling and accuracy. In this paper, we present different multi-dimensional approaches for modeling spatio-temporal variations of the ionospheric electron density. To be more specific, we split the target function into a reference part, computed from the International Reference Ionosphere (IRI), and an unknown correction term. Due to the localizing feature of B-spline functions we apply tensor-product spline expansions to model the correction term in a certain multi-dimensional region either completely or partly. Furthermore, the multi-resolution representation derived from wavelet analysis allows monitoring the ionosphere at different resolutions levels. For demonstration we apply three approaches to electron density data over South America.

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

    OpenAIRE

    Yao, Yao

    2018-01-01

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

  2. DFT-based Green's function pathways model for prediction of bridge-mediated electronic coupling.

    Science.gov (United States)

    Berstis, Laura; Baldridge, Kim K

    2015-12-14

    A density functional theory-based Green's function pathway model is developed enabling further advancements towards the long-standing challenge of accurate yet inexpensive prediction of electron transfer rate. Electronic coupling predictions are demonstrated to within 0.1 eV of experiment for organic and biological systems of moderately large size, with modest computational expense. Benchmarking and comparisons are made across density functional type, basis set extent, and orbital localization scheme. The resulting framework is shown to be flexible and to offer quantitative prediction of both electronic coupling and tunneling pathways in covalently bound non-adiabatic donor-bridge-acceptor (D-B-A) systems. A new localized molecular orbital Green's function pathway method (LMO-GFM) adaptation enables intuitive understanding of electron tunneling in terms of through-bond and through-space interactions.

  3. The Organic-Oxide Interfacial Layer on the Studies of Organic Electronics (Light-Emitting Diodes and Solar Cells)

    Science.gov (United States)

    2008-10-09

    S1133)12. The incident photon -to-electron conversion efficiency (IPCE) spectra were measured with a lock-in preamplifier (SR510, Standard Research...carried out by four-point probe experiment. Transmittance spectra were analyzed with a UV-visible spectrometer constructed by GBC Scientific Equipment...Australia (model GBC Cintra 10e). AFM was performed with a NanoScope a (Digital Instruments Inc.) run in the tapping mode. The synchrotron grazing

  4. 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)

  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. 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.

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

    DEFF Research Database (Denmark)

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

    solar cells that eliminates the need for light soaking and still allows for integration on flexible plastic substrates, which is beneficial for roll-to-roll mass production of flexible organic solar cells. 1. Steim, R.; Kogler, F. R.; Brabec, C. J., Interface materials for organic solar cells. Journal......The use of interfacial layers in organic solar cells has been investigated intensively over the past years, as it has a strong impact on both the power conversion efficiency and stability of the devices. Among the systems investigated are for example alkali salts, ionic liquids, neutral polymers...... 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...

  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. 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.

  10. 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)

  11. 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

    Thin films of N,N′-Bis(benzyl)-3,4,9,10-perylenetetracarboxylic diimide (BPTCDI, Fig. 1b) and N,N′-Bis(benzyl)-1,4,5,8-naphthalenetetracarboxylic diimide (BNTCDI, Fig. 1d) were thermally deposited in UHV on 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA, Fig. 1a) and 1,4,5,8-naphthalenetetra......Thin films of N,N′-Bis(benzyl)-3,4,9,10-perylenetetracarboxylic diimide (BPTCDI, Fig. 1b) and N,N′-Bis(benzyl)-1,4,5,8-naphthalenetetracarboxylic diimide (BNTCDI, Fig. 1d) were thermally deposited in UHV on 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA, Fig. 1a) and 1......,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...... level (EF) were measured during the film deposition using an incident beam of low-energy electrons according to the total current electron spectroscopy (TCS) method. Analysis of the TCS data allowed us to assign the π( band located 5–7.5 eV above EF for all the four films under study and the higher...

  12. 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.

  13. Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond

    DEFF Research Database (Denmark)

    Svendsen, H.; Overgaard, J.; Busselez, R.

    2010-01-01

    encountered in single-crystal studies of small-unit-cell inorganic structures can be overcome with synchrotron powder diffraction. It is shown that the standard Hansen-Coppens multipole model is not flexible enough to fit the static theoretical structure factors, whereas fitting of thermally smeared structure...... parameter. This directly exposes a correlation between electron density and thermal parameters even for a light atom such as carbon, and it also underlines that in organic systems proper deconvolution of thermal motion is important for obtaining correct static electron densities....

  14. Modelling and simulation of beam formation in electron guns

    International Nuclear Information System (INIS)

    Sabchevski, S.; Barbarich, I.

    1996-01-01

    This paper describes a new PC version of the software package GUN-EBT for computer simulation of beam formation in rotationally symmetric electron guns with thermionic cathodes. It is based on a self-consistent physical model which takes into account the beam space charge and the initial velocity effects. The theoretical framework used for both the formulation of the model and for the interpretation of the results of numerical experiments is the formalism of the charged particle dynamics in phase space. This enables not only a trajectory analysis (ray tracing) but also a phase-space analysis of beams to be performed. The package can be used as an effective tool for computer aided design and optimization of electron guns in various electron-optical systems. The operation of the package is illustrated with a typical example. (orig.)

  15. Modelling and simulation of beam formation in electron guns

    Energy Technology Data Exchange (ETDEWEB)

    Sabchevski, S. [Bulgarian Academy of Sciences, Sofia (Bulgaria). Inst. po Elektronika; Mladenov, G. [Bulgarian Academy of Sciences, Sofia (Bulgaria). Inst. po Elektronika; Titov, A. [St. Petersburg State Electrotechnical University, St. Petersburg (Russian Federation); Barbarich, I. [St. Petersburg State Electrotechnical University, St. Petersburg (Russian Federation)

    1996-11-01

    This paper describes a new PC version of the software package GUN-EBT for computer simulation of beam formation in rotationally symmetric electron guns with thermionic cathodes. It is based on a self-consistent physical model which takes into account the beam space charge and the initial velocity effects. The theoretical framework used for both the formulation of the model and for the interpretation of the results of numerical experiments is the formalism of the charged particle dynamics in phase space. This enables not only a trajectory analysis (ray tracing) but also a phase-space analysis of beams to be performed. The package can be used as an effective tool for computer aided design and optimization of electron guns in various electron-optical systems. The operation of the package is illustrated with a typical example. (orig.).

  16. [Development of an electronic device to organize medications and promote treatment adherence].

    Science.gov (United States)

    Vieira, Liliana Batista; Ramos, Celso de Ávila; Castello, Matheus de Barros; Nascimento, Lorenzo Couto do

    2016-04-01

    This article describes the development of an electronic prototype to organize medications - the Electronic System for Personal and Controlled Use of Medications (Sistema Eletrônico de Uso Personalizado e Controlado de Medicamentos, SUPERMED). The prototype includes a drawer containing 1 month's supply of medicines, sound and visual medication timers, and a memory card for recording the times when the box was opened/closed (scheduled and unscheduled). This information is later transferred to a computer. Evolutionary prototyping was used to develop SUPERMED with the Arduino platform and C programming. To read alarm and box opening/closing data, software was developed in Java. Once the alarms are programmed (ideally by a health care professional), no additional adjustments are required by the patient. The prototype was tested during 31 days by the developers, with satisfactory functioning. The system seems adequate to organize medications and facilitate adherence to treatment. New studies will be carried out to validate and improve the prototype.

  17. 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

    inadequate when the molecule has near-degeneracies and/or low-lying double-excited states. To address these issues we have recently proposed multiconfiguration short-range density-functional theory-MC-srDFT-as a new tool in the toolbox. While initial applications for systems with multireference character......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......-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...

  18. 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)

  19. 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)

  20. Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.

    Science.gov (United States)

    Polo, Victor; Andres, Juan; Berski, Slawomir; Domingo, Luis R; Silvi, Bernard

    2008-08-07

    Thom's catastrophe theory applied to the evolution of the topology of the electron localization function (ELF) gradient field constitutes a way to rationalize the reorganization of electron pairing and a powerful tool for the unambiguous determination of the molecular mechanisms of a given chemical reaction. The identification of the turning points connecting the ELF structural stability domains along the reaction pathway allows a rigorous characterization of the sequence of electron pair rearrangements taking place during a chemical transformation, such as multiple bond forming/breaking processes, ring closure processes, creation/annihilation of lone pairs, transformations of C-C multiple bonds into single ones. The reaction mechanism of some relevant organic reactions: Diels-Alder, 1,3-dipolar cycloaddition and Cope rearrangement are reviewed to illustrate the potential of the present approach.

  1. 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

  2. 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

  3. 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…

  4. 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 v...

  5. 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)

  6. 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.

  7. 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

  8. Modeling of magnetic components for power electronic converters

    Science.gov (United States)

    Hranov, Tsveti; Hinov, Nikolay

    2017-12-01

    The paper presents the modelling of magnetic components, used in the power electronic devices. Non-linear inductor and transformer are presented. During the design stage are taken into account that the converters are operated with non-sinusoidal currents and voltages. The models are realized in the MATLAB environment and their verification is done using computer simulations. The advantages of these models against the existing models are that relations between the parameters are formalized and this way the computational procedure is significantly faster. This is important in the cases when the quasi-steady-state regime in devices comes significantly slower and the investigations are requiring long simulation times.

  9. 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.)

  10. 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.

  11. 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.

    2016-10-01

    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%.

  12. 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

  13. 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.

  14. 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.

  15. 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

    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...

  16. Transformer Model in Wide Frequency Bandwidth for Power Electronics Systems

    Directory of Open Access Journals (Sweden)

    Carlos Gonzalez-Garcia

    2013-01-01

    Full Text Available The development of the smart grids leads to new challenges on the power electronics equipment and power transformers. The use of power electronic transformer presents several advantages, but new problems related with the application of high frequency voltage and current components come across. Thus, an accurate knowledge of the transformer behavior in a wide frequency range is mandatory. A novel modeling procedure to relate the transformer physical behavior and its frequency response by means of electrical parameters is presented. Its usability is demonstrated by an example where a power transformer is used as filter and voltage reducer in an AC-DC-AC converter.

  17. ELECTRON AVALANCHE MODEL OF DIELECTRIC-VACUUM SURFACE BREAKDOWN

    Energy Technology Data Exchange (ETDEWEB)

    Lauer, E J

    2007-02-21

    The model assumes that an 'initiating event' results in positive ions on the surface near the anode and reverses the direction of the normal component of electric field so that electrons in vacuum are attracted to the dielectric locally. A sequence of surface electron avalanches progresses in steps from the anode to the cathode. For 200 kV across 1 cm, the spacing of avalanches is predicted to be about 13 microns. The time for avalanches to step from the anode to the cathode is predicted to be about a ns.

  18. 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

  19. The effect of Indium metal nanoparticles on the electronic properties of organic light emitting diodes (OLEDs)

    Energy Technology Data Exchange (ETDEWEB)

    Kalhor, Davood, E-mail: d_kalhor@sbu.ac.ir [Laser and Plasma Research Institute, Shahid Beheshti University, G.C., Tehran 1983963113 (Iran, Islamic Republic of); Department of Physics, Damghan University, POB 3671941167, Damghan (Iran, Islamic Republic of); Mohajerani, Ezeddin, E-mail: e-mohajerani@sbu.ac.ir [Laser and Plasma Research Institute, Shahid Beheshti University, G.C., Tehran 1983963113 (Iran, Islamic Republic of); Hashemi Pour, Omid, E-mail: HashemiPour@sbu.ac.ir [Department of Electrical and Computer Engineering, Shahid Beheshti University, G.C., Tehran 1983963113 (Iran, Islamic Republic of)

    2015-11-15

    In this paper the effect of Indium nanoparticles (NPs) on the electronic properties of organic light emitting diodes (OLEDs) is experimentally investigated. The metal NPs which are added to the hole transfer layer can be considered as a blocker layer for injected electrons. By optimizing hole and electron ratio, current density and voltage can be decreased. In order to study this effect, among various fabricated devices, a specific structure, namely ITO/PEDOT:PSS (50 nm)/TPD (45 nm)/NPs (x nm)/Alq{sub 3} (50 nm)/Ag (80 nm) has been used. Also, the experiment is investigated for Au and Cu as different cathode the results of structures are compared with Ag cathode. A manually controllable shutter was used for vacuum deposition process to prepare the same structures and to avoid any disturbing effects. It is observed that specific Indium NPs reduce current density and turn on voltage of the device. - Highlights: • The effect of In NPs on the electronic properties of OLEDs is investigated. • Current density and voltage may be reduced by optimizing electron hole ratio. • In NPs reduce the current density and turn on voltage of the device.

  20. 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)

  1. 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.

  2. 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].

  3. Photoinduced Change in the Charge Order Pattern in the Quarter-Filled Organic Conductor (EDO-TTF)2PF6 with a Strong Electron-Phonon Interaction

    Science.gov (United States)

    Onda, Ken; Ogihara, Sho; Yonemitsu, Kenji; Maeshima, Nobuya; Ishikawa, Tadahiko; Okimoto, Yoichi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi; Koshihara, Shin-Ya

    2008-08-01

    The quasistable state in the photoinduced phase transition for the quasi-one-dimensional quarter-filled organic conductor (EDO-TTF)2PF6 has been examined by ultrafast reflective measurements and time-dependent model calculations incorporating both electron-electron and electron-phonon interactions. The transient optical conductivity spectrum over a wide probe photon-energy range revealed that photoexcitation induced a new type of charge-disproportionate state. Additionally, coherent and incoherent oscillations dependent on probe photon energies were found, as predicted by the calculation.

  4. 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.

  5. 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.

  6. 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)

  7. Electrospinning Technique for Organic Semiconductive Polymers Composites Coaxial Nanofibers for Electronic Devices

    Science.gov (United States)

    Serrano Garcia, William; Thomas, Sylvia

    This work is motivated by the need of new 1D structures for organic flexible electronic devices that does not rely on silicon. Formation of organic semiconductors coaxial p-n junctions and sensors using the electrospinning technique will be studied. Actual progressions in coaxial fibers lead to an advance in the usage of fibers in many fields, but, for the first time, two organic semiconductor polymers will form a p-n junction in a coaxial nanofiber structure, expecting functional diodes in the 100 nm range in diameter. Semiconducting polymers as P3HT and BBL, p- and n-type respectively, will be studied under the presence of UV radiation and organic gases. Is been shown in recent research on single fiber and fibrous electrospun p-n junctions shows an ideality factor of 2 and less when rectifying signals. Also, with high surface area to volume ratio can serve not only as a single fiber sensor but as a yarn sensor enhancing the sensitivity of the device. In regards to organic semiconducting coaxial p-n junction nanofibers, no reported studies have been conducted, making this study fundamental and essential for organic semiconducting flexible nanodevices. NSF Florida Georgia Louis Stokes Alliance for Minority Participation (FGLSAMP) Program.

  8. 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.

  9. Electronic Learning Systems in Hong Kong Business Organizations: A Study of Early and Late Adopters

    Science.gov (United States)

    Chan, Simon C. H.; Ngai, Eric W. T.

    2012-01-01

    Based on the diffusion of innovation theory (E. M. Rogers, 1983, 1995), the authors examined the antecedents of the adoption of electronic learning (e-learning) systems by using a time-based assessment model (R. C. Beatty, J. P. Shim, & M. C. Jones, 2001), which classified adopters into categories upon point in time when adopting e-learning…

  10. 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...

  11. Competency modeling targeted on promotion of organizations towards VO involvement

    NARCIS (Netherlands)

    Ermilova, E.; Afsarmanesh, H.

    2008-01-01

    During the last decades, a number of models is introduced in research, addressing different perspectives of the organizations’ competencies in collaborative networks. This paper introduces the "4C-model", developed to address competencies of organizations, involved in Virtual organizations Breeding

  12. 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.

  13. 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...

  14. 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

  15. 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.

  16. Advanced electron crystallography through model-based imaging

    Science.gov (United States)

    Van Aert, Sandra; De Backer, Annick; Martinez, Gerardo T.; den Dekker, Arnold J.; Van Dyck, Dirk; Bals, Sara; Van Tendeloo, Gustaaf

    2016-01-01

    The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy. PMID:26870383

  17. Advanced electron crystallography through model-based imaging

    Directory of Open Access Journals (Sweden)

    Sandra Van Aert

    2016-01-01

    Full Text Available The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy.

  18. 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.

  19. 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.

  20. Electronic Model of a Ferroelectric Field Effect Transistor

    Science.gov (United States)

    MacLeod, Todd C.; Ho, Fat Duen; Russell, Larry (Technical Monitor)

    2001-01-01

    A pair of electronic models has been developed of a Ferroelectric Field Effect transistor. These models can be used in standard electrical circuit simulation programs to simulate the main characteristics of the FFET. The models use the Schmitt trigger circuit as a basis for their design. One model uses bipolar junction transistors and one uses MOSFET's. Each model has the main characteristics of the FFET, which are the current hysterisis with different gate voltages and decay of the drain current when the gate voltage is off. The drain current from each model has similar values to an actual FFET that was measured experimentally. T'he input and o Output resistance in the models are also similar to that of the FFET. The models are valid for all frequencies below RF levels. No attempt was made to model the high frequency characteristics of the FFET. Each model can be used to design circuits using FFET's with standard electrical simulation packages. These circuits can be used in designing non-volatile memory circuits and logic circuits and is compatible with all SPICE based circuit analysis programs. The models consist of only standard electrical components, such as BJT's, MOSFET's, diodes, resistors, and capacitors. Each model is compared to the experimental data measured from an actual FFET.

  1. 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

  2. Alternative electron transport mediated by flavodiiron proteins is operational in organisms from cyanobacteria up to gymnosperms.

    Science.gov (United States)

    Ilík, Petr; Pavlovič, Andrej; Kouřil, Roman; Alboresi, Alessandro; Morosinotto, Tomas; Allahverdiyeva, Yagut; Aro, Eva-Mari; Yamamoto, Hiroshi; Shikanai, Toshiharu

    2017-05-01

    Photo-reduction of O 2 to water mediated by flavodiiron proteins (FDPs) represents a safety valve for the photosynthetic electron transport chain in fluctuating light. So far, the FDP-mediated O 2 photo-reduction has been evidenced only in cyanobacteria and the moss Physcomitrella; however, a recent phylogenetic analysis of transcriptomes of photosynthetic organisms has also revealed the presence of FDP genes in several nonflowering plant groups. What remains to be clarified is whether the FDP-dependent O 2 photo-reduction is actually operational in these organisms. We have established a simple method for the monitoring of FDP-mediated O 2 photo-reduction, based on the measurement of redox kinetics of P700 (the electron donor of photosystem I) upon dark-to-light transition. The O 2 photo-reduction is manifested as a fast re-oxidation of P700. The validity of the method was verified by experiments with transgenic organisms, namely FDP knock-out mutants of Synechocystis and Physcomitrella and transgenic Arabidopsis plants expressing FDPs from Physcomitrella. We observed the fast P700 re-oxidation in representatives of all green plant groups excluding angiosperms. Our results provide strong evidence that the FDP-mediated O 2 photo-reduction is functional in all nonflowering green plant groups. This finding suggests a major change in the strategy of photosynthetic regulation during the evolution of angiosperms. © 2017 The Authors. New Phytologist © 2017 New Phytologist Trust.

  3. 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.

  4. Halogenated contorted hexabenzocoronene derivatives for electron transport in thin-film transistors and organic photovoltaics

    Science.gov (United States)

    Hiszpanski, Anna; Shaw, Leo; Bruzek, Matthew; Luettich, Franziska; Kahn, Antoine; Anthony, John; Loo, Yueh-Lin

    2013-03-01

    In investigating electron acceptor substitutes for fullerene derivatives in organic photovoltaic applications, we have modified a semiconductor, contorted hexabenzocoronene (HBC), with halogens to increase its oxidative stability and lower its lower unoccupied molecular orbital energy level relative to vacuum level. We synthesized a series of HBC derivatives with increasing fluorine substitution on the peripheral aromatic rings and elucidated the effect of chemical modification on electronic properties. Though we observe a 57 meV shift in both the highest occupied and lowest unoccupied energy levels of the molecules with each progressive addition of fluorine, none of the fluorinated HBC derivatives demonstrate electron transport in thin-film transistors. By substituting chlorine for four of the peripheral fluorines, however, this mixed-halogenated compound exhibits n-transport characteristics. Unoptimized thin-film transistors comprising 8F-8Cl-HBC have demonstrated electron mobilities as high as 0.01 cm2/Vs, and unoptimized bulk-heterojunction solar cells with poly(3-hexyl thiophene) as the polymer donor have yielded power conversion efficiencies as high as 0.9%.

  5. using stereochemistry models in teaching organic compounds

    African Journals Online (AJOL)

    Preferred Customer

    (Stereochemistry Model); the treatment had significant effect: students taught using. Stereochemistry Models ... ISSN 2227-5835. 93. Apart from the heavy conceptual demand on the memory capacity required of the ..... colors and sizes compared with the sketches on the chart that appear to be mock forms of the compounds.

  6. Quantum entanglement in two-electron atomic models

    Energy Technology Data Exchange (ETDEWEB)

    Manzano, D; Plastino, A R; Dehesa, J S [Instituto Carlos I de Fisica Teorica y Computacional, Universidad de Granada, Granada E-18071 (Spain); Koga, T, E-mail: arplastino@ugr.e [Applied Chemistry Research Unit, Graduate School of Engineering, Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan)

    2010-07-09

    We explore the main entanglement properties exhibited by the eigenfunctions of two exactly soluble two-electron models, the Crandall atom and the Hooke atom, and compare them with the entanglement features of helium-like systems. We compute the amount of entanglement associated with the wavefunctions corresponding to the fundamental and first few excited states of these models. We investigate the dependence of the entanglement on the parameters of the models and on the quantum numbers of the eigenstates. It is found that the amount of entanglement of the system tends to increase with energy in both models. In addition, we study the entanglement of a few states of helium-like systems, which we compute using high-quality Kinoshita-like eigenfunctions. The dependence of the entanglement of helium-like atoms on the nuclear charge and on energy is found to be consistent with the trends observed in the previous two model systems.

  7. Putting structure into context: fitting of atomic models into electron microscopic and electron tomographic reconstructions.

    Science.gov (United States)

    Volkmann, Niels

    2012-02-01

    A complete understanding of complex dynamic cellular processes such as cell migration or cell adhesion requires the integration of atomic level structural information into the larger cellular context. While direct atomic-level information at the cellular level remains inaccessible, electron microscopy, electron tomography and their associated computational image processing approaches have now matured to a point where sub-cellular structures can be imaged in three dimensions at the nanometer scale. Atomic-resolution information obtained by other means can be combined with this data to obtain three-dimensional models of large macromolecular assemblies in their cellular context. This article summarizes some recent advances in this field. Copyright © 2011 Elsevier Ltd. All rights reserved.

  8. 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

  9. 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.

  10. 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...

  11. 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.

  12. 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.

  13. 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.

  14. Insertion of NiO electron blocking layer in fabrication of GaN-organic heterostructures

    Science.gov (United States)

    Li, Junmei; Guo, Wei; Jiang, Jie'an; Gao, Pingqi; Bo, Baoxue; Ye, Jichun

    2018-03-01

    We report the fabrication of a NiO thin film on top of an n-type GaN epitaxial layer. The electron-blocking capability of NiO in a hybrid organic/inorganic heterostructure consisting of n-GaN/NiO/poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is discussed. Surface morphology, crystallography orientation, bandgap, and fermi level information of NiO films were investigated in detail. A rectifying property consistent with the proposed band diagram was observed in the current-voltage measurement. Theoretical analysis also demonstrated the effective electron blocking due to band alignment and a more balanced carrier distribution inside the GaN region with NiO inserted into the n-GaN/PEDOT:PSS heterostructure. This work provides a promising approach to the fabrication of high-efficiency hybrid optoelectronic devices.

  15. 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

  16. MODEL OF LEARNING ORGANIZATION IN BROADCASTING ORGANIZATION OF ISLAMIC REPUBLIC OF IRAN

    Directory of Open Access Journals (Sweden)

    Reza Najafbagy

    2010-11-01

    Full Text Available This article tries to present a model of learning organization for Iran Broadcasting Organization which is under the management of the spiritual leader of Iran. The study is based on characteristics of Peter Senge’s original learning organization namely, personal stery, mental models, shared vision, team learning and systems thinking. The methodology was a survey research employed questionnaire among sample employees and managers of the Organization.Findings showed that the Organization is fairly far from an ffective learning organization.Moreover, it seems that employees’ performance in team learning and changes in mental models are more satisfactory than managers. Regarding other characteristics of learning organizations, there are similarities in learning attempts by employees and managers. The rganization lacks organizational vision, and consequently there is no shared vision in the Organization. It also is in need of organizational culture. As a kind of state-owned organization, there s no need of financial support which affect the need for learning organization. It also does not face the threat of sustainabilitybecause there is no competitive organization.Findings also show that IBO need a fundamental change in its rganizational learning process. In this context, the general idea is to unfreeze the mindset of leadership of IBO and creating a visionand organizational culture based on learning and staff development. Then gradually through incremental effective change and continual organizational learning process in dividual, team and organization levels engage in development and reinforcement of skills of personal mastery, mental models, shared vision, team learning and systems thinking, should lead IBO to learning organization.

  17. 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.

  18. 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

  19. Computational electronics semiclassical and quantum device modeling and simulation

    CERN Document Server

    Vasileska, Dragica; Klimeck, Gerhard

    2010-01-01

    Starting with the simplest semiclassical approaches and ending with the description of complex fully quantum-mechanical methods for quantum transport analysis of state-of-the-art devices, Computational Electronics: Semiclassical and Quantum Device Modeling and Simulation provides a comprehensive overview of the essential techniques and methods for effectively analyzing transport in semiconductor devices. With the transistor reaching its limits and new device designs and paradigms of operation being explored, this timely resource delivers the simulation methods needed to properly model state-of

  20. 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

  1. Recent advances in high energy electron beam irradiation for the treatment of hazardous organic compounds

    International Nuclear Information System (INIS)

    Cooper, W.J.; Lin, K.; Nickelsen, M.G.; Waite, T.D.; Kurucz, C.N.

    1992-01-01

    We have initiated a long-term project which has as its goal the development of the use of high energy electron beam irradiation for the removal and ultimate destruction of toxic and hazardous organic compounds from water, waste water, groundwater, and waters containing suspended sediments (sludges). The research has focused on several classes of compounds: trihalomethanes, of interest in water treatment; chlorinated solvents, e.g. trichloroethylene and tetrachloroethylene, of interest in ground water contamination; benzene and substituted benzenes, of interest in leaking underground storage tanks. This paper presents an overview of the progress we have made to date. (author)

  2. Adhesive flexible barrier film, method of forming same, and organic electronic device including same

    Science.gov (United States)

    Blizzard, John Donald; Weidner, William Kenneth

    2013-02-05

    An adhesive flexible barrier film comprises a substrate and a barrier layer disposed on the substrate. The barrier layer is formed from a barrier composition comprising an organosilicon compound. The adhesive flexible barrier film also comprises an adhesive layer disposed on the barrier layer and formed from an adhesive composition. A method of forming the adhesive flexible barrier film comprises the steps of disposing the barrier composition on the substrate to form the barrier layer, disposing the adhesive composition on the barrier layer to form the adhesive layer, and curing the barrier layer and the adhesive layer. The adhesive flexible barrier film may be utilized in organic electronic devices.

  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 Empowerment of Plasma Modeling by Fundamental Electron Scattering Data

    Science.gov (United States)

    Kushner, Mark J.

    2015-09-01

    Modeling of low temperature plasmas addresses at least 3 goals - investigation of fundamental processes, analysis and optimization of current technologies, and prediction of performance of as yet unbuilt systems for new applications. The former modeling may be performed on somewhat idealized systems in simple gases, while the latter will likely address geometrically and electromagnetically intricate systems with complex gas mixtures, and now gases in contact with liquids. The variety of fundamental electron and ion scattering data (FSD) required for these activities increases from the former to the latter, while the accuracy required of that data probably decreases. In each case, the fidelity, depth and impact of the modeling depends on the availability of FSD. Modeling is, in fact, empowered by the availability and robustness of FSD. In this talk, examples of the impact of and requirements for FSD in plasma modeling will be discussed from each of these three perspectives using results from multidimensional and global models. The fundamental studies will focus on modeling of inductively coupled plasmas sustained in Ar/Cl2 where the electron scattering from feed gases and their fragments ultimately determine gas temperatures. Examples of the optimization of current technologies will focus on modeling of remote plasma etching of Si and Si3N4 in Ar/NF3/N2/O2 mixtures. Modeling of systems as yet unbuilt will address the interaction of atmospheric pressure plasmas with liquids Work was supported by the US Dept. of Energy (DE-SC0001939), National Science Foundation (CHE-124752), and the Semiconductor Research Corp.

  5. 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

  6. 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)

  7. 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.

  8. 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.

  9. Modeling a Miniaturized Scanning Electron Microscope Focusing Column - Lessons Learned in Electron Optics Simulation

    Science.gov (United States)

    Loyd, Jody; Gregory, Don; Gaskin, Jessica

    2016-01-01

    This presentation discusses work done to assess the design of a focusing column in a miniaturized Scanning Electron Microscope (SEM) developed at the NASA Marshall Space Flight Center (MSFC) for use in-situ on the Moon-in particular for mineralogical analysis. The MSFC beam column design uses purely electrostatic fields for focusing, because of the severe constraints on mass and electrical power consumption imposed by the goals of lunar exploration and of spaceflight in general. The resolution of an SEM ultimately depends on the size of the focused spot of the scanning beam probe, for which the stated goal here is a diameter of 10 nanometers. Optical aberrations are the main challenge to this performance goal, because they blur the ideal geometrical optical image of the electron source, effectively widening the ideal spot size of the beam probe. In the present work the optical aberrations of the mini SEM focusing column were assessed using direct tracing of non-paraxial rays, as opposed to mathematical estimates of aberrations based on paraxial ray-traces. The geometrical ray-tracing employed here is completely analogous to ray-tracing as conventionally understood in the realm of photon optics, with the major difference being that in electron optics the lens is simply a smoothly varying electric field in vacuum, formed by precisely machined electrodes. Ray-tracing in this context, therefore, relies upon a model of the electrostatic field inside the focusing column to provide the mathematical description of the "lens" being traced. This work relied fundamentally on the boundary element method (BEM) for this electric field model. In carrying out this research the authors discovered that higher accuracy in the field model was essential if aberrations were to be reliably assessed using direct ray-tracing. This led to some work in testing alternative techniques for modeling the electrostatic field. Ultimately, the necessary accuracy was attained using a BEM

  10. Modeling Radiation Belt Electron Dynamics with the DREAM3D Diffusion Model

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Weichao [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cunningham, Gregory S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chen, Yue [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Henderson, Michael G. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Morley, Steven K. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reeves, Geoffrey D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Blake, Bernard J. [The Aerospace Corporation, El Segundo, CA (United States); Baker, Daniel N. [Lab. for Atmospheric and Space Physics, Boulder, CO (United States); Spence, Harlan [Univ. of New Hampshire, Durham, NH (United States)

    2014-02-14

    The simulation results from our 3D diffusion model on the CRRES era suggest; our model captures the general variations of radiation belt electrons, including the dropouts and the enhancements; the overestimations inside the plasmapause can be improved by increasing the PA diffusion from hiss waves; and that better DLL and wave models are required.

  11. 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

  12. Analytical thermal modelling of multilayered active embedded chips into high density electronic board

    Directory of Open Access Journals (Sweden)

    Monier-Vinard Eric

    2013-01-01

    Full Text Available The recent Printed Wiring Board embedding technology is an attractive packaging alternative that allows a very high degree of miniaturization by stacking multiple layers of embedded chips. This disruptive technology will further increase the thermal management challenges by concentrating heat dissipation at the heart of the organic substrate structure. In order to allow the electronic designer to early analyze the limits of the power dissipation, depending on the embedded chip location inside the board, as well as the thermal interactions with other buried chips or surface mounted electronic components, an analytical thermal modelling approach was established. The presented work describes the comparison of the analytical model results with the numerical models of various embedded chips configurations. The thermal behaviour predictions of the analytical model, found to be within ±10% of relative error, demonstrate its relevance for modelling high density electronic board. Besides the approach promotes a practical solution to study the potential gain to conduct a part of heat flow from the components towards a set of localized cooled board pads.

  13. Photometer for monitoring the thickness of inkjet printed films for organic electronic and sensor applications.

    Science.gov (United States)

    Im, Jisun; Sengupta, Sandip K; Whitten, James E

    2010-03-01

    Inkjet printed organic thin films are being used for a variety of electronic and sensor applications with advantages that include ease of fabrication and reproducibility. Construction and use of a low-cost photometer based on a light-emitting diode (LED) light source and a photodiode detector are described. The photometer attaches to the exit of the printer with the transparent substrate onto which the film is printed passing between the LED and photodiode. By measuring the output voltage of the detector, the transmittance and absorbance of the inkjet printed film can be calculated in real-time. Since absorbance is linearly proportional to thickness in the Beer-Lambert regime, the thickness of the film may be monitored and controlled by varying the number of passes through the printer. Use of the photometer is demonstrated for inkjet printed films of monolayer-protected colloidal gold nanoparticles that function as chemical vapor sensors. The photometer may find applications in both research and quality control related to the manufacture of organic electronic devices and sensors and enables "feedback-controlled" inkjet printing.

  14. Preparation of electron buffer layer with crystalline ZnO nanoparticles in inverted organic photovoltaic cells

    Science.gov (United States)

    Lee, Donghwan; Kang, Taeho; Choi, Yoon-Young; Oh, Seong-Geun

    2017-06-01

    Zinc oxide (ZnO) nanoparticles synthesized through sol-gel method were used to fabricate the electron buffer layer in inverted organic photovoltaic cells (OPVs) after thermal treatment. To investigate the effect of thermal treatment on the formation of crystalline ZnO nanoparticles, the amorphous ZnO nanoparticles were treated via hydrothermal method. The crystalline phase of ZnO with well-ordered structure could be obtained when the amorphous phase of ZnO was processed under hydrothermal treatment at 170 °C. The crystalline structure of ZnO thin film in inverted organic solar cell could be obtained under relatively low annealing temperature by using thermally treated ZnO nanoparticles. The OPVs fabricated by using crystalline ZnO nanoparticles for electron buffer layer exhibited higher efficiency than the conventional ZnO nanoparticles. The best power conversion efficiency (PCE) was achieved for 7.16% through the ZnO film using the crystalline ZnO nanoparticles. The proposed method to prepared ZnO nanoparticles (NPs) could effectively reduce energy consumption during the fabrication of OPVs, which would greatly contribute to advantages such as lower manufacturing costs, higher productivity and application on flexible substrates.

  15. Personality organization, five-factor model, and mental health.

    Science.gov (United States)

    Laverdière, Olivier; Gamache, Dominick; Diguer, Louis; Hébert, Etienne; Larochelle, Sébastien; Descôteaux, Jean

    2007-10-01

    Otto Kernberg has developed a model of personality and psychological functioning centered on the concept of personality organization. The purpose of this study is to empirically examine the relationships between this model, the five-factor model, and mental health. The Personality Organization Diagnostic Form (Diguer et al., The Personality Organization Diagnostic Form-II (PODF-II), 2001), the NEO Five-Factor Inventory (Costa and McCrae, Revised NEO Personality Inventory (NEO-PI-R) and NEO Five-Factor Inventory (NEO-FFI) Professional Manual. 1992a), and the Health-Sickness Rating Scale (Luborsky, Arch Gen Psychiatry. 1962;7:407-417) were used to assess these constructs. Results show that personality organization and personality factors are distinct but interrelated constructs and that both contribute in similar proportion to mental health. Results also suggest that the integration of personality organization and factors can provide clinicians and researchers with an enriched understanding of psychological functioning.

  16. Designing anthradithiophene derivatives suitable for applications in organic electronics and optoelectronics

    Science.gov (United States)

    Hallani, Rawad

    Anthradithiophene (ADT) derivatives have proven to be a front-runner in the world of small molecule semiconductors for organic electronics and optoelectronics. This is mainly due to the improved stability, easy tuning of chemical and physical properties, and impressive device performance that these molecules possess, especially in organic field effect transistors (OFET) and organic photovoltaics (OPV). The second chapter of this dissertation shows that reducing the amount of alkylsilylethynyl groups, used for functionalizing and solubilizing the ADT backbone, does alter the chemical, physical and crystallographic properties of ADTs. These changes offer the opportunity to study and observe different intermolecular interactions as well as monitoring their influence on sulfur scrambling in solid state. Additionally, from the early days ADTs and functionalized ADTs have been synthesized as isomeric mixtures. In chapter three, I demonstrate a new and simple method that can separate the syn and anti isomers of the F-TES-ADT and F-TEG-ADT chromatographically. The effects of isomeric purity on crystal packing and field effect transistor performance were studied extensively. Chapter four of this dissertation reveals a new generation of acceptor (electron poor) ADT derivatives obtained by attaching cyanide as electron withdrawing group (EWG) to the ADT chromophore. An extensive study was conducted on CN-ADT (acceptor) molecules in small molecule (F-TES-ADT) donor/ small molecule (CN-ADT) acceptor binary BHJ blends as well as P3HT/CN-ADT/PCBM ternary BHJ blends. Photophysical studies of the Donor/ acceptor blends (interface, domains, and crystal orientation) were conducted to obtain a better understanding of the film morphology and its effect on solar cell performance. Finally, the last part of the dissertation, Chapter five, focus on studying singlet fission in ADT derivatives, as well as the effect of varying the size of the alkylsilylethynyl functional group (used for

  17. 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

  18. Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic molecules.

    Science.gov (United States)

    Ásgeirsson, Vilhjálmur; Bauer, Christoph A; Grimme, Stefan

    2017-07-01

    We introduce a fully stand-alone version of the Quantum Chemistry Electron Ionization Mass Spectra (QCEIMS) program [S. Grimme, Angew. Chem. Int. Ed. , 2013, 52 , 6306] allowing efficient simulations for molecules composed of elements with atomic numbers up to Z = 86. The recently developed extended tight-binding semi-empirical method GFN-xTB has been combined with QCEIMS, thereby eliminating dependencies on third-party electronic structure software. Furthermore, for reasonable calculations of ionization potentials, as required by the method, a second tight-binding variant, IPEA-xTB, is introduced here. This novel combination of methods allows the automatic, fast and reasonably accurate computation of electron ionization mass spectra for structurally different molecules across the periodic table. In order to validate and inspect the transferability of the method, we perform large-scale simulations for some representative organic, organometallic, and main-group inorganic systems. Theoretical spectra for 23 molecules are compared directly to experimental data taken from standard databases. For the first time, realistic quantum chemistry based EI-MS for organometallic systems like ferrocene or copper(ii)acetylacetonate are presented. Compared to previously used semiempirical methods, GFN-xTB is faster, more robust, and yields overall higher quality spectra. The partially analysed theoretical reaction and fragmentation mechanisms are chemically reasonable and reveal in unprecedented detail the extreme complexity of high energy gas phase ion chemistry including complicated rearrangement reactions prior to dissociation.

  19. Designing a Composite Service Organization (Through Mathematical Modeling

    Directory of Open Access Journals (Sweden)

    Prof. Dr. A. Z. Memon

    2006-01-01

    Full Text Available Suppose we have a class of similar service organizations each of which is characterized by the same numerically measurable input/output characteristics. Even if the amount of any input does not differ in them, one or more organizations can be expected to outperform the others in one or more production aspects. Our interest lies in comparing the output efficiency levels of all service organizations. For it we use mathematical modeling, mainly linear programming to design a composite organization with new input measures which relative to a specific organization should have a higher level of efficiency with regard to all output measures. The other purpose of this paper is to evaluate the output characteristics of this proposed service organization. The paper also touches some other highly important planning features of this organization.

  20. Modeling radiation belt electron dynamics during GEM challenge intervals with the DREAM3D diffusion model

    Science.gov (United States)

    Tu, Weichao; Cunningham, G. S.; Chen, Y.; Henderson, M. G.; Camporeale, E.; Reeves, G. D.

    2013-10-01

    a response to the Geospace Environment Modeling (GEM) "Global Radiation Belt Modeling Challenge," a 3D diffusion model is used to simulate the radiation belt electron dynamics during two intervals of the Combined Release and Radiation Effects Satellite (CRRES) mission, 15 August to 15 October 1990 and 1 February to 31 July 1991. The 3D diffusion model, developed as part of the Dynamic Radiation Environment Assimilation Model (DREAM) project, includes radial, pitch angle, and momentum diffusion and mixed pitch angle-momentum diffusion, which are driven by dynamic wave databases from the statistical CRRES wave data, including plasmaspheric hiss, lower-band, and upper-band chorus. By comparing the DREAM3D model outputs to the CRRES electron phase space density (PSD) data, we find that, with a data-driven boundary condition at Lmax = 5.5, the electron enhancements can generally be explained by radial diffusion, though additional local heating from chorus waves is required. Because the PSD reductions are included in the boundary condition at Lmax = 5.5, our model captures the fast electron dropouts over a large L range, producing better model performance compared to previous published results. Plasmaspheric hiss produces electron losses inside the plasmasphere, but the model still sometimes overestimates the PSD there. Test simulations using reduced radial diffusion coefficients or increased pitch angle diffusion coefficients inside the plasmasphere suggest that better wave models and more realistic radial diffusion coefficients, both inside and outside the plasmasphere, are needed to improve the model performance. Statistically, the results show that, with the data-driven outer boundary condition, including radial diffusion and plasmaspheric hiss is sufficient to model the electrons during geomagnetically quiet times, but to best capture the radiation belt variations during active times, pitch angle and momentum diffusion from chorus waves are required.

  1. Electron reactions in model liquids and biological systems

    International Nuclear Information System (INIS)

    Bakale, G.; Gregg, E.C.

    1982-01-01

    Progress is reported in the following studies: (1) Field-dependent electron attachment; (2) Dependence of electron attachment rate on electron-acceptor dipole moment; (3) Electron attachment in i-octane/TMS mixtures; (4) Electron attachment/detachment equilibria; (5) Electron attachment to reversed micelles; (6) Electron attachment to chemical carcinogens; (7) Radiation-induced bacterial mutagenesis; and (8) Bacterial mutagenicity of nitrobenzene derivatives. 14 references

  2. (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

  3. Modelling of electron transport and of sawtooth activity in tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Angioni, C

    2001-10-01

    Transport phenomena in tokamak plasmas strongly limit the particle and energy confinement and represent a crucial obstacle to controlled thermonuclear fusion. Within the vast framework of transport studies, three topics have been tackled in the present thesis: first, the computation of neoclassical transport coefficients for general axisymmetric equilibria and arbitrary collisionality regime; second, the analysis of the electron temperature behaviour and transport modelling of plasma discharges in the Tokamak a configuration Variable (TCV); third, the modelling and simulation of the sawtooth activity with different plasma heating conditions. The work dedicated to neoclassical theory has been undertaken in order to first analytically identify a set of equations suited for implementation in existing Fokker-Planck codes. Modifications of these codes enabled us to compute the neoclassical transport coefficients considering different realistic magnetic equilibrium configurations and covering a large range of variation of three key parameters: aspect ratio, collisionality, and effective charge number. A comparison of the numerical results with an analytical limit has permitted the identification of two expressions for the trapped particle fraction, capable of encapsulating the geometrical effects and thus enabling each transport coefficient to be fitted with a single analytical function. This has allowed us to provide simple analytical formulae for all the neoclassical transport coefficients valid for arbitrary aspect ratio and collisionality in general realistic geometry. This work is particularly useful for a correct evaluation of the neoclassical contribution in tokamak scenarios with large bootstrap cur- rent fraction, or improved confinement regimes with low anomalous transport and for the determination of the plasma current density profile, since the plasma conductivity is usually assumed neoclassical. These results have been included in the plasma transport code

  4. 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

  5. Social organization in the Minority Game model

    Science.gov (United States)

    Slanina, František

    2000-10-01

    We study the role of imitation within the Minority Game model of market. The players can exchange information locally, which leads to formation of groups which act as if they were single players. Coherent spatial areas of rich and poor agents result. We found that the global effectivity is optimized at certain value of the imitation probability, which decreases with increasing memory length. The social tensions are suppressed for large imitation probability, but generally the requirements of high global effectivity and low social tensions are in conflict.

  6. 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.)

  7. 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.

  8. How valuable are model organisms for transposable element studies?

    Science.gov (United States)

    Kidwell, M G; Evgen'ev, M B

    1999-01-01

    Model organisms have proved to be highly informative for many types of genetic studies involving 'conventional' genes. The results have often been successfully generalized to other closely related organisms and also, perhaps surprisingly frequently, to more distantly related organisms. Because of the wealth of previous knowledge and their availability and convenience, model organisms were often the species of choice for many of the earlier studies of transposable elements. The question arises whether the results of genetic studies of transposable elements in model organisms can be extrapolated in the same ways as those of conventional genes? A number of observations suggest that special care needs to be taken in generalizing the results from model organisms to other species. A hallmark of many transposable elements is their ability to amplify rapidly in species genomes. Rapid spread of a newly invaded element throughout a species range has also been demonstrated. The types and genomic copy numbers of transposable elements have been shown to differ greatly between some closely related species. Horizontal transfer of transposable elements appears to be more frequent than for nonmobile genes. Furthermore, the population structure of some model organisms has been subject to drastic recent changes that may have some bearing on their transposable element genomic complements. In order to initiate discussion of this question, several case studies of transposable elements in well-studied Drosophila species are presented.

  9. Organic solvent wetting properties of UV and plasma treated ZnO nanorods: printed electronics approach

    KAUST Repository

    Sliz, Rafal

    2012-09-13

    Due to low manufacturing costs, printed organic solar cells are on the short-list of renewable and environmentally- friendly energy production technologies of the future. However, electrode materials and each photoactive layer require different techniques and approaches. Printing technologies have attracted considerable attention for organic electronics due to their potentially high volume and low cost processing. A case in point is the interface between the substrate and solution (ink) drop, which is a particularly critical issue for printing quality. In addition, methods such as UV, oxygen and argon plasma treatments have proven suitable to increasing the hydrophilicity of treated surfaces. Among several methods of measuring the ink-substrate interface, the simplest and most reliable is the contact angle method. In terms of nanoscale device applications, zinc oxide (ZnO) has gained popularity, owing to its physical and chemical properties. In particular, there is a growing interest in exploiting the unique properties that the so-called nanorod structure exhibits for future 1-dimensional opto-electronic devices. Applications, such as photodiodes, thin-film transistors, sensors and photo anodes in photovoltaic cells have already been demonstrated. This paper presents the wettability properties of ZnO nanorods treated with UV illumination, oxygen and argon plasma for various periods of time. Since this work concentrates on solar cell applications, four of the most common solutions used in organic solar cell manufacture were tested: P3HT:PCBM DCB, P3HT:PCBM CHB, PEDOT:PSS and water. The achieved results prove that different treatments change the contact angle differently. Moreover, solvent behaviour varied uniquely with the applied treatment. © (2012) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  10. Organic solvent wetting properties of UV and plasma treated ZnO nanorods: printed electronics approach

    Science.gov (United States)

    Sliz, Rafal; Suzuki, Yuji; Nathan, Arokia; Myllyla, Risto; Jabbour, Ghassan

    2012-09-01

    Due to low manufacturing costs, printed organic solar cells are on the short-list of renewable and environmentally- friendly energy production technologies of the future. However, electrode materials and each photoactive layer require different techniques and approaches. Printing technologies have attracted considerable attention for organic electronics due to their potentially high volume and low cost processing. A case in point is the interface between the substrate and solution (ink) drop, which is a particularly critical issue for printing quality. In addition, methods such as UV, oxygen and argon plasma treatments have proven suitable to increasing the hydrophilicity of treated surfaces. Among several methods of measuring the ink-substrate interface, the simplest and most reliable is the contact angle method. In terms of nanoscale device applications, zinc oxide (ZnO) has gained popularity, owing to its physical and chemical properties. In particular, there is a growing interest in exploiting the unique properties that the so-called nanorod structure exhibits for future 1-dimensional opto-electronic devices. Applications, such as photodiodes, thin-film transistors, sensors and photo anodes in photovoltaic cells have already been demonstrated. This paper presents the wettability properties of ZnO nanorods treated with UV illumination, oxygen and argon plasma for various periods of time. Since this work concentrates on solar cell applications, four of the most common solutions used in organic solar cell manufacture were tested: P3HT:PCBM DCB, P3HT:PCBM CHB, PEDOT:PSS and water. The achieved results prove that different treatments change the contact angle differently. Moreover, solvent behaviour varied uniquely with the applied treatment.

  11. Electron tomography of fusiform vesicles and their organization in urothelial cells.

    Directory of Open Access Journals (Sweden)

    Samo Hudoklin

    Full Text Available The formation of fusiform vesicles (FVs is one of the most distinctive features in the urothelium of the urinary bladder. FVs represent compartments for intracellular transport of urothelial plaques, which modulate the surface area of the superficial urothelial (umbrella cells during the distension-contraction cycle. We have analysed the three-dimensional (3D structure of FVs and their organization in umbrella cells of mouse urinary bladders. Compared to chemical fixation, high pressure freezing gave a new insight into the ultrastructure of urothelial cells. Electron tomography on serial sections revealed that mature FVs had a shape of flattened discs, with a diameter of up to 1.2 µm. The lumen between the two opposing asymmetrically thickened membranes was very narrow, ranging from 5 nm to 10 nm. Freeze-fracturing and immunolabelling confirmed that FVs contain two opposing urothelial plaques connected by a hinge region that made an omega shaped curvature. In the central cytoplasm, 4-15 FVs were often organized into stacks. In the subapical cytoplasm, FVs were mainly organized as individual vesicles. Distension-contraction cycles did not affect the shape of mature FVs; however, their orientation changed from parallel in distended to perpendicular in contracted bladder with respect to the apical plasma membrane. In the intermediate cells, shorter and more dilated immature FVs were present. The salient outcome from this research is the first comprehensive, high resolution 3D view of the ultrastructure of FVs and how they are organized differently depending on their location in the cytoplasm of umbrella cells. The shape of mature FVs and their organization into tightly packed stacks makes them a perfect storage compartment, which transports large amounts of urothelial plaques while occupying a small volume of umbrella cell cytoplasm.

  12. High-resolution monochromated electron energy-loss spectroscopy of organic photovoltaic materials.

    Science.gov (United States)

    Alexander, Jessica A; Scheltens, Frank J; Drummy, Lawrence F; Durstock, Michael F; Hage, Fredrik S; Ramasse, Quentin M; McComb, David W

    2017-09-01

    Advances in electron monochromator technology are providing opportunities for high energy resolution (10 - 200meV) electron energy-loss spectroscopy (EELS) to be performed in the scanning transmission electron microscope (STEM). The energy-loss near-edge structure in core-loss spectroscopy is often limited by core-hole lifetimes rather than the energy spread of the incident illumination. However, in the valence-loss region, the reduced width of the zero loss peak makes it possible to resolve clearly and unambiguously spectral features at very low energy-losses (photovoltaics (OPVs): poly(3-hexlythiophene) (P3HT), [6,6] phenyl-C 61 butyric acid methyl ester (PCBM), copper phthalocyanine (CuPc), and fullerene (C 60 ). Data was collected on two different monochromated instruments - a Nion UltraSTEM 100 MC 'HERMES' and a FEI Titan 3 60-300 Image-Corrected S/TEM - using energy resolutions (as defined by the zero loss peak full-width at half-maximum) of 35meV and 175meV, respectively. The data was acquired to allow deconvolution of plural scattering, and Kramers-Kronig analysis was utilized to extract the complex dielectric functions. The real and imaginary parts of the complex dielectric functions obtained from the two instruments were compared to evaluate if the enhanced resolution in the Nion provides new opto-electronic information for these organic materials. The differences between the spectra are discussed, and the implications for STEM-EELS studies of advanced materials are considered. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Electron/muon specific two Higgs doublet model

    Energy Technology Data Exchange (ETDEWEB)

    Kajiyama, Yuji, E-mail: kajiyama-yuuji@akita-pref.ed.jp [Akita Highschool, Tegata-Nakadai 1, Akita, 010-0851 (Japan); Okada, Hiroshi, E-mail: hokada@kias.re.kr [School of Physics, KIAS, Seoul 130-722 (Korea, Republic of); Yagyu, Kei, E-mail: keiyagyu@ncu.edu.tw [Department of Physics, National Central University, Chungli, 32001, Taiwan, ROC (China)

    2014-10-15

    We discuss two Higgs doublet models with a softly-broken discrete S{sub 3} symmetry, where the mass matrix for charged-leptons is predicted as the diagonal form in the weak eigenbasis of lepton fields. Similarly to an introduction of Z{sub 2} symmetry, the tree level flavor changing neutral current can be forbidden by imposing the S{sub 3} symmetry to the model. Under the S{sub 3} symmetry, there are four types of Yukawa interactions depending on the S{sub 3} charge assignment to right-handed fermions. We find that extra Higgs bosons can be muon and electron specific in one of four types of the Yukawa interaction. This property does not appear in any other two Higgs doublet models with a softly-broken Z{sub 2} symmetry. We discuss the phenomenology of the muon and electron specific Higgs bosons at the Large Hadron Collider; namely we evaluate allowed parameter regions from the current Higgs boson search data and discovery potential of such a Higgs boson at the 14 TeV run.

  14. 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.

  15. Business Model Innovation in Incumbent Organizations: : Challenges and Success Routes

    OpenAIRE

    Salama, Ahmad; Parvez, Khawar

    2015-01-01

    In this thesis major challenges of creating business models at incumbents within mature industries are identified along with a mitigation plan. Pressure is upon incumbent organizations in order to keep up with the latest rapid technological advancements, the launching of startups that almost cover every field of business and the continuous change in customers’ tastes and needs. That along with various factors either forced organizations to continually reevaluate their current business models ...

  16. Reverse Osmosis Processing of Organic Model Compounds and Fermentation Broths

    Science.gov (United States)

    2006-04-01

    key species found in the fermentation broth: ethanol, butanol, acetic acid, oxalic acid, lactic acid, and butyric acid. Correlations of the rejection...AFRL-ML-TY-TP-2007-4545 POSTPRINT REVERSE OSMOSIS PROCESSING OF ORGANIC MODEL COMPOUNDS AND FERMENTATION BROTHS Robert Diltz...TELEPHONE NUMBER (Include area code) Bioresource Technology 98 (2007) 686–695Reverse osmosis processing of organic model compounds and fermentation broths

  17. 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

  18. Probing cytotoxicity of nanoparticles and organic compounds using scanning proton microscopy, scanning electron microscopy and fluorescence microscopy

    International Nuclear Information System (INIS)

    Tong Yongpeng; Li Changming; Liang Feng; Chen Jianmin; Zhang Hong; Liu Guoqing; Sun Huibin; Luong, John H.T.

    2008-01-01

    Scanning proton microscopy, scanning electron microscopy (SEM) and fluorescence microscopy have been used to probe the cytotoxicity effect of benzo[a]pyrene (BaP), ethidium bromide (EB) and nanoparticles (ZnO, Al 2 O 3 and TiO 2 ) on a T lymphoblastic leukemia Jurkat cell line. The increased calcium ion (from CaCl 2 ) in the culture medium stimulated the accumulation of BaP and EB inside the cell, leading to cell death. ZnO, Al 2 O 3 and TiO 2 nanoparticles, however, showed a protective effect against these two organic compounds. Such inorganic nanoparticles complexed with BaP or EB which became less toxic to the cell. Fe 2 O 3 nanoparticles as an insoluble particle model scavenged by macrophage were investigated in rats. They were scavenged out of the lung tissue about 48 h after infection. This result suggest that some insoluble inorganic nanoparticles of PM (particulate matters) showed protective effects on organic toxins induced acute toxic effects as they can be scavenged by macrophage cells. Whereas, some inorganic ions such as calcium ion in PM may help environmental organic toxins to penetrate cell membrane and induce higher toxic effect.

  19. Probing cytotoxicity of nanoparticles and organic compounds using scanning proton microscopy, scanning electron microscopy and fluorescence microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tong Yongpeng [Institute of Nuclear Techniques, Shenzhen University, Nanhai Avenue 3688, Shenzhen 518060 (China)], E-mail: yongpengt@yahoo.com.cn; Li Changming [School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 637457 (Singapore); Liang Feng [Institute Pasteur of Shanghai, Chinese Academy of Sciences, Shanghai 200025 (China); Chen Jianmin [Shenzhen Municipal Hospital for Chronic Disease Control and Prevention, Guangdong 518020 (China); Zhang Hong; Liu Guoqing; Sun Huibin [Institute of Nuclear Techniques, Shenzhen University, Nanhai Avenue 3688, Shenzhen 518060 (China); Luong, John H.T. [Biotechnology Research Institute, National Research Council Canada, Montreal, Quebec, H4P 2R2 (Canada)

    2008-12-15

    Scanning proton microscopy, scanning electron microscopy (SEM) and fluorescence microscopy have been used to probe the cytotoxicity effect of benzo[a]pyrene (BaP), ethidium bromide (EB) and nanoparticles (ZnO, Al{sub 2}O{sub 3} and TiO{sub 2}) on a T lymphoblastic leukemia Jurkat cell line. The increased calcium ion (from CaCl{sub 2}) in the culture medium stimulated the accumulation of BaP and EB inside the cell, leading to cell death. ZnO, Al{sub 2}O{sub 3} and TiO{sub 2} nanoparticles, however, showed a protective effect against these two organic compounds. Such inorganic nanoparticles complexed with BaP or EB which became less toxic to the cell. Fe{sub 2}O{sub 3} nanoparticles as an insoluble particle model scavenged by macrophage were investigated in rats. They were scavenged out of the lung tissue about 48 h after infection. This result suggest that some insoluble inorganic nanoparticles of PM (particulate matters) showed protective effects on organic toxins induced acute toxic effects as they can be scavenged by macrophage cells. Whereas, some inorganic ions such as calcium ion in PM may help environmental organic toxins to penetrate cell membrane and induce higher toxic effect.

  20. Hydrogenation of organic matter as a terminal electron sink sustains high CO 2 :CH 4 production ratios during anaerobic decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Rachel M.; Tfaily, Malak M.; Rich, Virginia I.; Keller, Jason K.; Bridgham, Scott D.; Zalman, Cassandra Medvedeff; Meredith, Laura; Hanson, Paul J.; Hines, Mark; Pfeifer-Meister, Laurel; Saleska, Scott R.; Crill, Patrick; Cooper, William T.; Chanton, Jeff P.; Kostka, Joel E.

    2017-10-01

    Once inorganic electron acceptors are depleted, organic matter in anoxic environments decomposes by hydrolysis, fermentation, and methanogenesis, requiring syntrophic interactions between microorganisms to achieve energetic favorability. In this classic anaerobic food chain, methanogenesis represents the terminal electron accepting (TEA) process, ultimately producing equimolar CO2 and CH4 for each molecule of organic matter degraded. However, CO2:CH4 production in Sphagnum-derived, mineral-poor, cellulosic peat often substantially exceeds this 1:1 ratio, even in the absence of measureable inorganic TEAs. Since the oxidation state of C in both cellulose-derived organic matter and acetate is 0, and CO2 has an oxidation state of +4, if CH4 (oxidation state -4) is not produced in equal ratio, then some other compound(s) must balance CO2 production by receiving 4 electrons. Here we present evidence for ubiquitous hydrogenation of diverse unsaturated compounds that appear to serve as organic TEAs in peat, thereby providing the necessary electron balance to sustain CO2:CH4 >1. While organic electron acceptors have previously been proposed to drive microbial respiration of organic matter through the reversible reduction of quinone moieties, the hydrogenation mechanism that we propose, by contrast, reduces C-C double bonds in organic matter thereby serving as 1) a terminal electron sink, 2) a mechanism for degrading complex unsaturated organic molecules, 3) a potential mechanism to regenerate electron-accepting quinones, and, in some cases, 4) a means to alleviate the toxicity of unsaturated aromatic acids. This mechanism for CO2 generation without concomitant CH4 production has the potential to regulate the global warming potential of peatlands by elevating CO2:CH4 production ratios.

  1. 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.

  2. Research on the electronic and optical properties of polymer and other organic molecular thin films

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-02-01

    The main goal of the work is to find materials and methods of optimization of organic layered electroluminescent cells and to study such properties of polymers and other organic materials that can be used in various opto-electronic devices. The summary of results obtained during the first year of work is presented. They are: (1) the possibility to produce electroluminescent cells using a vacuum deposition photoresist technology for commercial photoresists has been demonstrated; (2) the idea to replace the polyaryl polymers by other polymers with weaker hole conductivity for optimization of electroluminescent cells with ITO-Al electrodes has been suggested. The goal is to obtain amorphous processable thin films of radiative recombination layers in electroluminescent devices; (3) procedures of preparation of high-quality vacuum-deposited poly (p-phenylene) (PPP) films on various substrates have been developed; (4) it was found for the first time that the fluorescence intensity of PPP films depends on the degree of polymerization; (5) the role of interfaces between organic compounds, on one side, and metals or semiconductors, on the other side, has been studied and quenching of the fluorescence caused by semiconductor layer in thin sandwiches has been observed; (6) studies of the dynamics of photoexcitations revealed the exciton self-trapping in quasi-one-dimensional aggregates; and (7) conditions for preparation of highly crystalline fullerene C{sub 60} films by vacuum deposition have been found. Composites of C{sub 60} with conjugated polymers have been prepared.

  3. Environmental recovery by destruction of toxic organic compounds using electron beam accelerator

    International Nuclear Information System (INIS)

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

    2001-01-01

    The oxidation process has attracted many researchers because of the capacity to mineralise organic compounds. The most efficient oxidation is the use of OH radicals. There are various methods to generate OH radicals as the use of ozone, hydrogen peroxide and ultra-violet (AOP - Advanced Oxidation Process). The most simple and efficient method for generating OH radicals in situ is the interaction of ionizing radiation with water. The reactive species formed by the water irradiation are the reducing radical's solvated electron and H atoms and the oxidising radical hydroxyl OH. The reactive species will react with organic compounds in the water inducing their decomposition. The use of ionizing radiation has great ecological and technologies advantages, especially when compared to physical-chemical and biological methods. It degrades organic compounds, generating substances that are easily biodegraded without the necessity of adding chemical compounds. The purpose of the radiation treatment is the conversion of these substances to biodegradable compounds; sometimes the complete decomposition is not necessary for this conversion

  4. 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.

  5. 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)

  6. Synthesis and Characterization of a Helicene-Based Imidazolium Salt and Its Application in Organic Molecular Electronics

    Czech Academy of Sciences Publication Activity Database

    Storch, Jan; Žádný, Jaroslav; Strašák, Tomáš; Kubala, M.; Sýkora, Jan; Dušek, Michal; Církva, Vladimír; Matějka, P.; Krbal, M.; Vacek, J.

    2015-01-01

    Roč. 21, č. 6 (2015), s. 2343-2347 ISSN 0947-6539 R&D Projects: GA MPO FR-TI3/628; GA TA ČR TA04010082 Institutional support: RVO:67985858 ; RVO:68378271 Keywords : helicene * imidazolium salt * organic electronics Subject RIV: CC - Organic Chemistry Impact factor: 5.771, year: 2015

  7. Mechanisms before Reactions: A Mechanistic Approach to the Organic Chemistry Curriculum Based on Patterns of Electron Flow

    Science.gov (United States)

    Flynn, Alison B.; Ogilvie, William W.

    2015-01-01

    A significant redesign of the introductory organic chemistry curriculum at the authors' institution is described. There are two aspects that differ greatly from a typical functional group approach. First, organic reaction mechanisms and the electron-pushing formalism are taught before students have learned a single reaction. The conservation of…

  8. Correlated electron-hole mechanism for molecular doping in organic semiconductors

    Science.gov (United States)

    Li, Jing; D'Avino, Gabriele; Pershin, Anton; Jacquemin, Denis; Duchemin, Ivan; Beljonne, David; Blase, Xavier

    2017-07-01

    The electronic and optical properties of the paradigmatic F4TCNQ-doped pentacene in the low-doping limit are investigated by a combination of state-of-the-art many-body ab initio methods accounting for environmental screening effects, and a carefully parametrized model Hamiltonian. We demonstrate that while the acceptor level lies very deep in the gap, the inclusion of electron-hole interactions strongly stabilizes dopant-semiconductor charge transfer states and, together with spin statistics and structural relaxation effects, rationalize the possibility for room-temperature dopant ionization. Our findings reconcile available experimental data, shedding light on the partial vs. full charge transfer scenario discussed in the literature, and question the relevance of the standard classification in shallow or deep impurity levels prevailing for inorganic semiconductors.

  9. In situ patterning of organic molecules in aqueous solutions using an inverted electron-beam lithography system

    Science.gov (United States)

    Miyazako, Hiroki; Ishihara, Kazuhiko; Mabuchi, Kunihiko; Hoshino, Takayuki

    2016-06-01

    A method for in situ controlling the detachment and deposition of organic molecules such as sugars and biocompatible polymers in aqueous solutions by electron-beam (EB) scan is proposed and evaluated. It was demonstrated that EB irradiation could detach 2-methacryloyloxyethyl phosphorylcholine (MPC) polymers from a silicon nitride membrane. Moreover, organic molecules such as cationic polymers and sugars could be deposited on the membrane by EB irradiation. Spatial distributions of scattered electrons were numerically simulated, and acceleration voltage dependences of the detachment and deposition phenomena were experimentally measured. The simulations and experimental results suggest that the detachment of MPC polymers is mainly due to electrical effects of primary electrons, and that the deposition of organic molecules is mainly due to chemical reactions induced by primary electrons. In view of these findings, the proposed method can be applied to in situ and nanoscale patterning such as the fabrication of cell scaffolds.

  10. Influence of dissolved organic carbon content on modelling natural organic matter acid-base properties.

    Science.gov (United States)

    Garnier, Cédric; Mounier, Stéphane; Benaïm, Jean Yves

    2004-10-01

    Natural organic matter (NOM) behaviour towards proton is an important parameter to understand NOM fate in the environment. Moreover, it is necessary to determine NOM acid-base properties before investigating trace metals complexation by natural organic matter. This work focuses on the possibility to determine these acid-base properties by accurate and simple titrations, even at low organic matter concentrations. So, the experiments were conducted on concentrated and diluted solutions of extracted humic and fulvic acid from Laurentian River, on concentrated and diluted model solutions of well-known simple molecules (acetic and phenolic acids), and on natural samples from the Seine river (France) which are not pre-concentrated. Titration experiments were modelled by a 6 acidic-sites discrete model, except for the model solutions. The modelling software used, called PROSECE (Programme d'Optimisation et de SpEciation Chimique dans l'Environnement), has been developed in our laboratory, is based on the mass balance equilibrium resolution. The results obtained on extracted organic matter and model solutions point out a threshold value for a confident determination of the studied organic matter acid-base properties. They also show an aberrant decreasing carboxylic/phenolic ratio with increasing sample dilution. This shift is neither due to any conformational effect, since it is also observed on model solutions, nor to ionic strength variations which is controlled during all experiments. On the other hand, it could be the result of an electrode troubleshooting occurring at basic pH values, which effect is amplified at low total concentration of acidic sites. So, in our conditions, the limit for a correct modelling of NOM acid-base properties is defined as 0.04 meq of total analysed acidic sites concentration. As for the analysed natural samples, due to their high acidic sites content, it is possible to model their behaviour despite the low organic carbon concentration.

  11. Correlating electronic and geometric structures of organic films and interfaces by means of synchrotron radiation based techniques

    International Nuclear Information System (INIS)

    Yamane, Hiroyuki

    2013-01-01

    The electronic structure of organic thin films and interfaces plays a crucial role in the performance of optoelectronic devices using organic semiconductors, and is seriously dominated by the geometric film/interface structure due to the anisotropic spatial distribution of molecular orbitals. This paper briefly reviews the recent progress of the examination of correlating electronic structure and geometric structure of archetypal organic semiconductor thin films and interfaces by using spectroscopic experiments with synchrotron radiation such as angle-resolved photoelectron spectroscopy, x-ray absorption spectroscopy, and x-ray standing wave. (author)

  12. Drosophila melanogaster as a model organism to study nanotoxicity.

    Science.gov (United States)

    Ong, Cynthia; Yung, Lin-Yue Lanry; Cai, Yu; Bay, Boon-Huat; Baeg, Gyeong-Hun

    2015-05-01

    Drosophila melanogaster has been used as an in vivo model organism for the study of genetics and development since 100 years ago. Recently, the fruit fly Drosophila was also developed as an in vivo model organism for toxicology studies, in particular, the field of nanotoxicity. The incorporation of nanomaterials into consumer and biomedical products is a cause for concern as nanomaterials are often associated with toxicity in many in vitro studies. In vivo animal studies of the toxicity of nanomaterials with rodents and other mammals are, however, limited due to high operational cost and ethical objections. Hence, Drosophila, a genetically tractable organism with distinct developmental stages and short life cycle, serves as an ideal organism to study nanomaterial-mediated toxicity. This review discusses the basic biology of Drosophila, the toxicity of nanomaterials, as well as how the Drosophila model can be used to study the toxicity of various types of nanomaterials.

  13. Investigating ecological speciation in non-model organisms

    DEFF Research Database (Denmark)

    Foote, Andrew David

    2012-01-01

    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...... 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...... variation underlie reproductive isolation between sympatric killer whale types. Perhaps ecological speciation has occurred, but it is hard to prove. We will probably face this outcome whenever we wish to address non-model organisms – species in which it is not easy to apply experimental approaches...

  14. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    International Nuclear Information System (INIS)

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; Ji, Wei

    2015-01-01

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Important swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections

  15. Reliable modeling of the electronic spectra of realistic uranium complexes

    Science.gov (United States)

    Tecmer, Paweł; Govind, Niranjan; Kowalski, Karol; de Jong, Wibe A.; Visscher, Lucas

    2013-07-01

    We present an EOMCCSD (equation of motion coupled cluster with singles and doubles) study of excited states of the small [UO2]2+ and [UO2]+ model systems as well as the larger UVIO2(saldien) complex. In addition, the triples contribution within the EOMCCSDT and CR-EOMCCSD(T) (completely renormalized EOMCCSD with non-iterative triples) approaches for the [UO2]2+ and [UO2]+ systems as well as the active-space variant of the CR-EOMCCSD(T) method—CR-EOMCCSd(t)—for the UVIO2(saldien) molecule are investigated. The coupled cluster data were employed as benchmark to choose the "best" appropriate exchange-correlation functional for subsequent time-dependent density functional (TD-DFT) studies on the transition energies for closed-shell species. Furthermore, the influence of the saldien ligands on the electronic structure and excitation energies of the [UO2]+ molecule is discussed. The electronic excitations as well as their oscillator dipole strengths modeled with TD-DFT approach using the CAM-B3LYP exchange-correlation functional for the [UVO2(saldien)]- with explicit inclusion of two dimethyl sulfoxide molecules are in good agreement with the experimental data of Takao et al. [Inorg. Chem. 49, 2349 (2010), 10.1021/ic902225f].

  16. Modeling Blazar Spectra by Solving an Electron Transport Equation

    Science.gov (United States)

    Lewis, Tiffany; Finke, Justin; Becker, Peter A.

    2018-01-01

    Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.

  17. A Landau fluid model for dissipative trapped electron modes

    International Nuclear Information System (INIS)

    Hedrick, C.L.; Leboeuf, J.N.; Sidikman, K.L.

    1995-09-01

    A Landau fluid model for dissipative trapped electron modes is developed which focuses on an improved description of the ion dynamics. The model is simple enough to allow nonlinear calculations with many harmonics for the times necessary to reach saturation. The model is motivated by a discussion that starts with the gyro-kinetic equation and emphasizes the importance of simultaneously including particular features of magnetic drift resonance, shear, and Landau effects. To ensure that these features are simultaneously incorporated in a Landau fluid model with only two evolution equations, a new approach to determining the closure coefficients is employed. The effect of this technique is to reduce the matching of fluid and kinetic responses to a single variable, rather than two, and to allow focusing on essential features of the fluctuations in question, rather than features that are only important for other types of fluctuations. Radially resolved nonlinear calculations of this model, advanced in time to reach saturation, are presented to partially illustrate its intended use. These calculations have a large number of poloidal and toroidal harmonics to represent the nonlinear dynamics in a converged steady state which includes cascading of energy to both short and long wavelengths

  18. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector

    Energy Technology Data Exchange (ETDEWEB)

    Genderen, E. van; Clabbers, M. T. B. [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands); Center for Cellular Imaging and NanoAnalytics (C-CINA), Biozentrum, University of Basel, CH-4058 Basel (Switzerland); Das, P. P. [Nanomegas SPRL, Boulevard Edmond Machtens 79, B 1080, Brussels (Belgium); Stewart, A. [Department of Physics and Energy, Materials and Surface Science Institute (MSSI), University of Limerick, Limerick (Ireland); Nederlof, I. [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands); Amsterdam Scientific Instruments, Postbus 41882, 1009 DB Amsterdam (Netherlands); Barentsen, K. C. [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands); Portillo, Q. [Nanomegas SPRL, Boulevard Edmond Machtens 79, B 1080, Brussels (Belgium); Centres Científics i Tecnològics de la Universitat de Barcelona, University of Barcelona, Carrer de Lluís Solé i Sabaris, 1-3, Barcelona (Spain); Pannu, N. S. [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands); Nicolopoulos, S. [Nanomegas SPRL, Boulevard Edmond Machtens 79, B 1080, Brussels (Belgium); Gruene, T., E-mail: tim.gruene@psi.ch [Biology and Chemistry, Laboratory of Biomolecular Research, Paul Scherrer Institute (PSI), 5232 Villigen (Switzerland); Abrahams, J. P., E-mail: tim.gruene@psi.ch [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands); Center for Cellular Imaging and NanoAnalytics (C-CINA), Biozentrum, University of Basel, CH-4058 Basel (Switzerland); Biology and Chemistry, Laboratory of Biomolecular Research, Paul Scherrer Institute (PSI), 5232 Villigen (Switzerland)

    2016-02-05

    A specialized quantum area detector for electron diffraction studies makes it possible to solve the structure of small organic compound nanocrystals in non-cryo conditions by direct methods. Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼0.013 e{sup −} Å{sup −2} s{sup −1}) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014)

  19. Organic-inorganic semiconductor hybrid systems. Structure, morphology, and electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    El Helou, Mira

    2012-08-22

    This dissertation addresses the preparation and characterization of hybrid semiconducting systems combining organic with inorganic materials. Characterization methods used included to determine the structure, morphology, and thermal stability comprised X-ray diffraction (XRD), atomic force microscopy (AFM), thermal desorption spectroscopy (TDS), and X-ray photoelectron spectroscopy (XPS). One organic-inorganic semiconducting system was pentacene (C{sub 22}H{sub 14}) and zinc oxide. This interface was investigated in detail for pentacene on an oxygen-terminated zinc oxide surface, i.e. ZnO(000 anti 1). An extended study on the promising p-n junction was carried out for pentacene on ZnO with different orientations which exhibit different chemical and structural characteristics: ZnO(000 anti 1), ZnO(0001), and ZnO(10 anti 10). Moreover, the organic crystal structure of pentacene was selectively tuned by carefully choosing the substrate temperature. This defined interface with a physisorbed pentacene layer on ZnO was characterized by optical absorption which depends on the temperature of the measured system, the pentacene film thickness, and the molecular orientation and packing. The high quality of the pentacene films allowed in one case to characterize the Davydov splitting by linear polarized light focused on a single crystallite. Another subject in the field of organic-inorganic hybrid materials comprised conjugated dithiols used as self-assembled monolayers (SAMs) for immobilizing semiconducting CdS nanoparticles (NPs) on Au substrates. It was demonstrated that an appropriate selection and preparation of the conjugated SAMs is crucial for building up a light-addressable potentiometric sensor with a sufficient efficiency. An optimized electron transfer was achieved with SAMs of long range ordering, high stability, and adequate conductivity. This was examined for different linkers and was best for stilbenedithiol immobilized in solution at higher temperatures. Due

  20. High mass-resolution electron-ion-ion coincidence measurements on core-excited organic molecules

    CERN Document Server

    Tokushima, T; Senba, Y; Yoshida, H; Hiraya, A

    2001-01-01

    Total electron-ion-ion coincidence measurements on core excited organic molecules have been carried out with high mass resolution by using multimode (reflectron/linear) time-of-flight mass analyzer. From the ion correlation spectra of core excited CH sub 3 OH and CD sub 3 OH, the reaction pathway to form H sub 3 sup + (D sub 3 sup +) is identified as the elimination of three H (D) atoms from the methyl group, not as the inter-group (-CH sub 3 and -OH) interactions. In a PEPIPICO spectrum of acetylacetone (CH sub 3 COCH sub 2 COCH sub 3) measured by using a reflectron TOF, correlations between ions up to mass number 70 with one-mass resolution was recorded.

  1. Flexible barrier film, method of forming same, and organic electronic device including same

    Science.gov (United States)

    Blizzard, John; Tonge, James Steven; Weidner, William Kenneth

    2013-03-26

    A flexible barrier film has a thickness of from greater than zero to less than 5,000 nanometers and a water vapor transmission rate of no more than 1.times.10.sup.-2 g/m.sup.2/day at 22.degree. C. and 47% relative humidity. The flexible barrier film is formed from a composition, which comprises a multi-functional acrylate. The composition further comprises the reaction product of an alkoxy-functional organometallic compound and an alkoxy-functional organosilicon compound. A method of forming the flexible barrier film includes the steps of disposing the composition on a substrate and curing the composition to form the flexible barrier film. The flexible barrier film may be utilized in organic electronic devices.

  2. Phase-coherent electron transport through metallic atomic-sized contacts and organic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pauly, F.

    2007-02-02

    This work is concerned with the theoretical description of systems at the nanoscale, in particular the electric current through atomic-sized metallic contacts and organic molecules. In the first part, the characteristic peak structure in conductance histograms of different metals is analyzed within a tight-binding model. In the second part, an ab-initio method for quantum transport is developed and applied to single-atom and single-molecule contacts. (orig.)

  3. Organism-level models: When mechanisms and statistics fail us

    Science.gov (United States)

    Phillips, M. H.; Meyer, J.; Smith, W. P.; Rockhill, J. K.

    2014-03-01

    Purpose: To describe the unique characteristics of models that represent the entire course of radiation therapy at the organism level and to highlight the uses to which such models can be put. Methods: At the level of an organism, traditional model-building runs into severe difficulties. We do not have sufficient knowledge to devise a complete biochemistry-based model. Statistical model-building fails due to the vast number of variables and the inability to control many of them in any meaningful way. Finally, building surrogate models, such as animal-based models, can result in excluding some of the most critical variables. Bayesian probabilistic models (Bayesian networks) provide a useful alternative that have the advantages of being mathematically rigorous, incorporating the knowledge that we do have, and being practical. Results: Bayesian networks representing radiation therapy pathways for prostate cancer and head & neck cancer were used to highlight the important aspects of such models and some techniques of model-building. A more specific model representing the treatment of occult lymph nodes in head & neck cancer were provided as an example of how such a model can inform clinical decisions. A model of the possible role of PET imaging in brain cancer was used to illustrate the means by which clinical trials can be modelled in order to come up with a trial design that will have meaningful outcomes. Conclusions: Probabilistic models are currently the most useful approach to representing the entire therapy outcome process.

  4. Confinement of surface state electrons in self-organized Co islands on Au(111)

    Science.gov (United States)

    Schouteden, Koen; Lijnen, Erwin; Janssens, Ewald; Ceulemans, Arnout; Chibotaru, Liviu F.; Lievens, Peter; Van Haesendonck, Chris

    2008-04-01

    We report on detailed low temperature scanning tunneling spectroscopy measurements performed on nanoscale Co islands on Au(111) films. At low coverages, Co islands self-organize in arrays of mono- and bilayer nanoscale structures that often have an hexagonal shape. The process of self-organization is induced by the Au(111) 'herringbone' reconstruction. By means of mapping of the local density of states with lock-in detection, electron standing wave patterns are resolved on top of the atomically flat Co islands. The surface state electrons are observed to be strongly confined laterally inside the Co nanosized islands, with their wavefunctions reflecting the symmetry of the islands. To complement the experimental work, particle-in-a-box calculations were performed. The calculations are based on a newly developed variational method that can be applied to '2D boxes' of arbitrary polygonal shape. The experimental patterns are found to fit nicely to the calculated wavefunctions for a box having a symmetry corresponding to the experimental island symmetry. The small size of the Co islands under study (down to 7.7 nm2) is observed to induce a strong discretization of the energy levels, with very large energy separations between the eigenstates up to several 100 meV. The observed standing wave patterns are identified either as individual eigenstates or as a 'mixture' of two or more energetically close-lying eigenstates of the cobalt island. Additionally, the Co surface state appears not to be limited to mono- and bilayer islands, but this state remains observable for multilayered islands up to five monolayers of Co.

  5. A Framework for Formal Modeling and Analysis of Organizations

    NARCIS (Netherlands)

    Jonker, C.M.; Sharpanskykh, O.; Treur, J.; P., Yolum

    2007-01-01

    A new, formal, role-based, framework for modeling and analyzing both real world and artificial organizations is introduced. It exploits static and dynamic properties of the organizational model and includes the (frequently ignored) environment. The transition is described from a generic framework of

  6. Re-evaluating the role of sterics and electronic coupling in determining the open-circuit voltage of organic solar cells

    KAUST Repository

    Graham, Kenneth

    2013-07-30

    The effects of sterics and molecular orientation on the open-circuit voltage and absorbance properties of charge-transfer states are explored in model bilayer organic photovoltaics. It is shown that the open-circuit voltage correlates linearly with the charge-transfer state energy and is not significantly influenced by electronic coupling. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Order enables efficient electron-hole separation at an organic heterojunction with a small energy loss

    KAUST Repository

    Menke, S. Matthew

    2018-01-12

    Donor–acceptor organic solar cells often show low open-circuit voltages (VOC) relative to their optical energy gap (Eg) that limit power conversion efficiencies to ~12%. This energy loss is partly attributed to the offset between Eg and that of intermolecular charge transfer (CT) states at the donor–acceptor interface. Here we study charge generation occurring in PIPCP:PC61BM, a system with a very low driving energy for initial charge separation (Eg−ECT ~ 50 meV) and a high internal quantum efficiency (ηIQE ~ 80%). We track the strength of the electric field generated between the separating electron-hole pair by following the transient electroabsorption optical response, and find that while localised CT states are formed rapidly (<100 fs) after photoexcitation, free charges are not generated until 5 ps after photogeneration. In PIPCP:PC61BM, electronic disorder is low (Urbach energy <27 meV) and we consider that free charge separation is able to outcompete trap-assisted non-radiative recombination of the CT state.

  8. Relationships for electron-vibrational coupling in conjugated π organic systems

    Science.gov (United States)

    O'Neill, L.; Lynch, P.; McNamara, M.; Byrne, H. J.

    2005-06-01

    A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Stokes shift also exhibited a well-defined relationship with increasing conjugation length, implying a correlation between the electron-vibrational coupling and chain length. This correlation is further examined using Raman spectroscopy, whereby the integrated Raman scattering is seen to behave superlinearly with chain length. There is a clear indication that the vibrational activity and thus nonradiative decay processes are controllable through molecular structure. The correlations between the Stokes energies and the vibrational structure are also observed in a selection of PPV based polymers and a clear trend of increasing luminescence efficiency with decreasing vibrational activity and Stokes shift is observable. The implications of such structure property relationships in terms of materials design are discussed.

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

    KAUST Repository

    Chen, Chen

    2017-12-20

    We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (DMA) and 5,10,15,20-tetrakis(4-aminophenyl) porphyrin (TAPP) onto a Au(111) surface in ultrahigh vacuum followed by annealing to facilitate Schiff-base condensations between monomers. Scanning tunneling spectroscopy (STS) experiments conducted on isolated TAPP precursor molecules and the covalently linked COF networks yield similar transport (HOMO-LUMO) gaps of 1.85 ± 0.05 eV and 1.98 ± 0.04 eV, respectively. The COF orbital energy alignment, however, undergoes a significant downward shift compared to isolated TAPP molecules due to the electron-withdrawing nature of the imine bond formed during COF synthesis. Direct imaging of the COF local density of states (LDOS) via dI/dV mapping reveals that the COF HOMO and LUMO states are localized mainly on the porphyrin cores and that the HOMO displays reduced symmetry. DFT calculations reproduce the imine-induced negative shift in orbital energies and reveal that the origin of the reduced COF wave function symmetry is a saddle-like structure adopted by the porphyrin macrocycle due to its interactions with the Au(111) substrate.

  10. Spatial arrangement of organic compounds on a model mineral surface: implications for soil organic matter stabilization.

    Science.gov (United States)

    Petridis, Loukas; Ambaye, Haile; Jagadamma, Sindhu; Kilbey, S Michael; Lokitz, Bradley S; Lauter, Valeria; Mayes, Melanie A

    2014-01-01

    The complexity of the mineral-organic carbon interface may influence the extent of stabilization of organic carbon compounds in soils, which is important for global climate futures. The nanoscale structure of a model interface was examined here by depositing films of organic carbon compounds of contrasting chemical character, hydrophilic glucose and amphiphilic stearic acid, onto a soil mineral analogue (Al2O3). Neutron reflectometry, a technique which provides depth-sensitive insight into the organization of the thin films, indicates that glucose molecules reside in a layer between Al2O3 and stearic acid, a result that was verified by water contact angle measurements. Molecular dynamics simulations reveal the thermodynamic driving force behind glucose partitioning on the mineral interface: The entropic penalty of confining the less mobile glucose on the mineral surface is lower than for stearic acid. The fundamental information obtained here helps rationalize how complex arrangements of organic carbon on soil mineral surfaces may arise.

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

    NARCIS (Netherlands)

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

    2012-01-01

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

  12. Xanthusbase: adapting wikipedia principles to a model organism database.

    Science.gov (United States)

    Arshinoff, Bradley I; Suen, Garret; Just, Eric M; Merchant, Sohel M; Kibbe, Warren A; Chisholm, Rex L; Welch, Roy D

    2007-01-01

    xanthusBase (http://www.xanthusbase.org) 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, leveraging the cumulative experience made available through the Generic Model Organism Database (GMOD) project, MediaWiki (http://www.mediawiki.org), and dictyBase (http://www.dictybase.org), to create a MOD that is both highly useful and easily navigable. In addition, we have incorporated a unique Wikipedia-style curation model which exploits the internet's inherent interactivity, thus enabling M.xanthus and other myxobacterial researchers to contribute directly toward the ongoing genome annotation.

  13. 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...... 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...... variation underlie reproductive isolation between sympatric killer whale types. Perhaps ecological speciation has occurred, but it is hard to prove. We will probably face this outcome whenever we wish to address non-model organisms – species in which it is not easy to apply experimental approaches...

  14. Modeling skin collimation using the electron pencil beam redefinition algorithm.

    Science.gov (United States)

    Chi, Pai-Chun M; Hogstrom, Kenneth R; Starkschall, George; Antolak, John A; Boyd, Robert A

    2005-11-01

    Skin collimation is an important tool for electron beam therapy that is used to minimize the penumbra when treating near critical structures, at extended treatment distances, with bolus, or using arc therapy. It is usually made of lead or lead alloy material that conforms to and is placed on patient surface. Presently, commercially available treatment-planning systems lack the ability to model skin collimation and to accurately calculate dose in its presence. The purpose of the present work was to evaluate the use of the pencil beam redefinition algorithm (PBRA) in calculating dose in the presence of skin collimation. Skin collimation was incorporated into the PBRA by terminating the transport of electrons once they enter the skin collimator. Both fixed- and arced-beam dose calculations for arced-beam geometries were evaluated by comparing them with measured dose distributions for 10- and 15-MeV beams. Fixed-beam dose distributions were measured in water at 88-cm source-to-surface distance with an air gap of 32 cm. The 6 x 20-cm2 field (dimensions projected to isocenter) had a 10-mm thick lead collimator placed on the surface of the water with its edge 5 cm inside the field's edge located at +10 cm. Arced-beam dose distributions were measured in a 13.5-cm radius polystyrene circular phantom. The beam was arced 90 degrees (-45 degrees to +45 degrees), and 10-mm thick lead collimation was placed at +/- 30 degrees. For the fixed beam at 10 MeV, the PBRA- calculated dose agreed with measured dose to within 2.0-mm distance to agreement (DTA) in the regions of high-dose gradient and 2.0% in regions of low dose gradient. At 15 MeV, the PBRA agreed to within a 2.0-mm DTA in the regions of high-dose gradient; however, the PBRA underestimated the dose by as much as 5.3% over small regions at depths less than 2 cm because it did not model electrons scattered from the edge of the skin collimation. For arced beams at 10 MeV, the agreement was 1-mm DTA in the high-dose gradient

  15. A self-organized criticality model for plasma transport

    International Nuclear Information System (INIS)

    Carreras, B.A.; Newman, D.; Lynch, V.E.

    1996-01-01

    Many models of natural phenomena manifest the basic hypothesis of self-organized criticality (SOC). The SOC concept brings together the self-similarity on space and time scales that is common to many of these phenomena. The application of the SOC modelling concept to the plasma dynamics near marginal stability opens new possibilities of understanding issues such as Bohm scaling, profile consistency, broad band fluctuation spectra with universal characteristics and fast time scales. A model realization of self-organized criticality for plasma transport in a magnetic confinement device is presented. The model is based on subcritical resistive pressure-gradient-driven turbulence. Three-dimensional nonlinear calculations based on this model show the existence of transport under subcritical conditions. This model that includes fluctuation dynamics leads to results very similar to the running sandpile paradigm

  16. An Ising model for metal-organic frameworks

    Science.gov (United States)

    Höft, Nicolas; Horbach, Jürgen; Martín-Mayor, Victor; Seoane, Beatriz

    2017-08-01

    We present a three-dimensional Ising model where lines of equal spins are frozen such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins). We demonstrate that this "porous Ising model" can be seen as a minimal model for condensation transitions of gas molecules in metal-organic frameworks. Using Monte Carlo simulation techniques, we compare the phase behavior of a porous Ising model with that of a particle-based model for the condensation of methane (CH4) in the isoreticular metal-organic framework IRMOF-16. For both models, we find a line of first-order phase transitions that end in a critical point. We show that the critical behavior in both cases belongs to the 3D Ising universality class, in contrast to other phase transitions in confinement such as capillary condensation.

  17. Regional Persistent Organic Pollutants' Environmental Impact Assessment and Control Model

    Directory of Open Access Journals (Sweden)

    Jurgis Staniskis

    2008-10-01

    Full Text Available The sources of formation, environmental distribution and fate of persistent organic pollutants (POPs are increasingly seen as topics to be addressed and solved at the global scale. Therefore, there are already two international agreements concerning persistent organic pollutants: the Protocol of 1998 to the 1979 Convention on the Long-Range Transboundary Air Pollution on Persistent Organic Pollutants (Aarhus Protocol; and the Stockholm Convention on Persistent Organic Pollutants. For the assessment of environmental pollution of POPs, for the risk assessment, for the evaluation of new pollutants as potential candidates to be included in the POPs list of the Stokholmo or/and Aarhus Protocol, a set of different models are developed or under development. Multimedia models help describe and understand environmental processes leading to global contamination through POPs and actual risk to the environment and human health. However, there is a lack of the tools based on a systematic and integrated approach to POPs management difficulties in the region.

  18. Making Organisms Model Human Behavior: Situated Models in North-American Alcohol Research, 1950-onwards

    Science.gov (United States)

    Leonelli, Sabina; Ankeny, Rachel A.; Nelson, Nicole C.; Ramsden, Edmund

    2014-01-01

    Argument We examine the criteria used to validate the use of nonhuman organisms in North-American alcohol addiction research from the 1950s to the present day. We argue that this field, where the similarities between behaviors in humans and non-humans are particularly difficult to assess, has addressed questions of model validity by transforming the situatedness of non-human organisms into an experimental tool. We demonstrate that model validity does not hinge on the standardization of one type of organism in isolation, as often the case with genetic model organisms. Rather, organisms are viewed as necessarily situated: they cannot be understood as a model for human behavior in isolation from their environmental conditions. Hence the environment itself is standardized as part of the modeling process; and model validity is assessed with reference to the environmental conditions under which organisms are studied. PMID:25233743

  19. Making organisms model human behavior: situated models in North-American alcohol research, since 1950.

    Science.gov (United States)

    Ankeny, Rachel A; Leonelli, Sabina; Nelson, Nicole C; Ramsden, Edmund

    2014-09-01

    We examine the criteria used to validate the use of nonhuman organisms in North-American alcohol addiction research from the 1950s to the present day. We argue that this field, where the similarities between behaviors in humans and non-humans are particularly difficult to assess, has addressed questions of model validity by transforming the situatedness of non-human organisms into an experimental tool. We demonstrate that model validity does not hinge on the standardization of one type of organism in isolation, as often the case with genetic model organisms. Rather, organisms are viewed as necessarily situated: they cannot be understood as a model for human behavior in isolation from their environmental conditions. Hence the environment itself is standardized as part of the modeling process; and model validity is assessed with reference to the environmental conditions under which organisms are studied.

  20. MODELLING CONSUMERS' DEMAND FOR ORGANIC FOOD PRODUCTS: THE SWEDISH EXPERIENCE

    Directory of Open Access Journals (Sweden)

    Manuchehr Irandoust

    2016-07-01

    Full Text Available This paper attempts to examine a few factors characterizing consumer preferences and behavior towards organic food products in the south of Sweden using a proportional odds model which captures the natural ordering of dependent variables and any inherent nonlinearities. The findings show that consumer's choice for organic food depends on perceived benefits of organic food (environment, health, and quality and consumer's perception and attitudes towards labelling system, message framing, and local origin. In addition, high willingness to pay and income level will increase the probability to buy organic food, while the cultural differences and socio-demographic characteristics have no effect on consumer behaviour and attitudes towards organic food products. Policy implications are offered.

  1. Modelization of tritium transfer into the organic compartments of algae

    International Nuclear Information System (INIS)

    Bonotto, S.; Gerber, G.B.; Arapis, G.; Kirchmann, R.

    1982-01-01

    Uptake of tritium oxide and its conversion into organic tritium was studied in four different types of algae with widely varying size and growth characteristics (Acetabularia acetabulum, Boergesenia forbesii, two strains of Chlamydomonas and Dunaliella bioculata). Water in the cell and the vacuales equilibrates rapidly with external tritium water. Tritium is actively incorporated into organically bound form as the organisms grow. During the stationary phase, incorporation of tritium is slow. There exists a discrimination against the incorporation of tritium into organically bound form. A model has been elaborated taking in account these different factors. It appears that transfer of organic tritium by algae growing near the sites of release would be significant only for actively growing algae. Algae growing slowly may, however, be useful as cumulative indicators of discontinuous tritium release. (author)

  2. Distinguishing Biologically Controlled Calcareous Biomineralization in Fossil Organisms Using Electron Backscatter Diffraction (EBSD)

    Science.gov (United States)

    Päßler, Jan-Filip; Jarochowska, Emilia; Bestmann, Michel; Munnecke, Axel

    2018-02-01

    Although carbonate-precipitating cyanobacteria are ubiquitous in aquatic ecosystems today, the criteria used to identify them in the geological record are subjective and rarely testable. Differences in the mode of biomineralization between cyanobacteria and eukaryotes, i.e. biologically induced calcification (BIM) vs. biologically controlled calcification (BCM), result in different crystallographic structures which might be used as a criterion to test cyanobacterial affinities. Cyanobacteria are often used as a ‘wastebasket taxon’, to which various microfossils are assigned. The lack of a testable criterion for the identification of cyanobacteria may bias their fossil record severely. We employed electron backscatter diffraction (EBSD) to investigate the structure of calcareous skeletons in two microproblematica widespread in Palaeozoic marine ecosystems: Rothpletzella, hypothesized to be a cyanobacterium, and an incertae sedis microorganism Allonema. We used a calcareous trilobite shell as a BCM reference. The mineralized structure of Allonema has a simple single-layered structure of acicular crystals perpendicular to the surface of the organism. The c-axes of these crystals are parallel to the elongation and thereby normal to the surface of the organism. EBSD pole figures and misorientation axes distribution reveal a fibre texture around the c-axis with a small degree of variation (up to 30°), indicating a highly ordered structure. A comparable pattern was found in the trilobite shell. This structure allows excluding biologically induced mineralization as the mechanism of shell formation in Allonema. In Rothpletzella, the c-axes of the microcrystalline sheath show a broader clustering compared to Allonema, but still reveal crystals tending to be perpendicular to the surface of the organism. The misorientation axes of adjacent crystals show an approximately random distribution. Rothpletzella also shares morphological similarities with extant cyanobacteria. We

  3. Distinguishing Biologically Controlled Calcareous Biomineralization in Fossil Organisms Using Electron Backscatter Diffraction (EBSD

    Directory of Open Access Journals (Sweden)

    Jan-Filip Päßler

    2018-02-01

    Full Text Available Although carbonate-precipitating cyanobacteria are ubiquitous in aquatic ecosystems today, the criteria used to identify them in the geological record are subjective and rarely testable. Differences in the mode of biomineralization between cyanobacteria and eukaryotes, i.e., biologically induced calcification (BIM vs. biologically controlled calcification (BCM, result in different crystallographic structures which might be used as a criterion to test cyanobacterial affinities. Cyanobacteria are often used as a “wastebasket taxon,” to which various microfossils are assigned. The lack of a testable criterion for the identification of cyanobacteria may bias their fossil record severely. We employed electron backscatter diffraction (EBSD to investigate the structure of calcareous skeletons in two microproblematica widespread in Palaeozoic marine ecosystems: Rothpletzella, hypothesized to be a cyanobacterium, and an incertae sedis microorganism Allonema. We used a calcareous trilobite shell as a BCM reference. The mineralized structure of Allonema has a simple single-layered structure of acicular crystals perpendicular to the surface of the organism. The c-axes of these crystals are parallel to the elongation and thereby normal to the surface of the organism. EBSD pole figures and misorientation axes distribution reveal a fiber texture around the c-axis with a small degree of variation (up to 30°, indicating a highly ordered structure. A comparable pattern was found in the trilobite shell. This structure allows excluding biologically induced mineralization as the mechanism of shell formation in Allonema. In Rothpletzella, the c-axes of the microcrystalline sheath show a broader clustering compared to Allonema, but still reveal crystals tending to be perpendicular to the surface of the organism. The misorientation axes of adjacent crystals show an approximately random distribution. Rothpletzella also shares morphological similarities with extant

  4. Maskless selective laser patterning of PEDOT:PSS on barrier/foil for organic electronics applications

    Science.gov (United States)

    Karnakis, Dimitris; Stephens, Tim; Chabrol, Gregoire

    2013-03-01

    Rapid developments in organic electronics promise low cost devices for applications such as OLED, organic transistors and organic photovoltaics on large-area glass or flexible substrates in the near future. The technology is very attractive as most device layers can be solution printed. But when directly patterned deposition is impossible, a post-patterning step is required and laser processing is gradually emerging as a key-enabling tool. DPSS lasers offer several advantages including maskless, non-contact, dry patterning, but also scalable large area processing, well suited to roll-to-roll manufacturing at μm resolutions. However, very few reports discuss in detail the merits of DPSS laser patterning technology, especially on flexible substrates. This paper describes the potential of ultrafast DPSS laser technology for OLED fabrication on foil and, specifically, picosecond laser ablation of PEDOT:PSS on multilayered barrier/foil or metal grids aimed as a synthetic alternative to inorganic transparent conductive electrodes. Key requirements include: (a) the complete removal of PEDOT layers without residue, (b) the complete absence of surface contamination from redeposited laser debris to avoid short circuiting and (c) no loss in performance of from laser exposure. We will demonstrate that with careful optimisation and appropriate choice of ultrafast laser, the above criteria can be fulfilled. A suitable process window exists resulting in clean laser structuring without damage to the underlying heat sensitive barrier layers whilst also containing laser debris. A low temperature ablation most likely proceeds via a stress-assisted (film fracture and ejection) process as opposed to vaporisation or other phase change commonly encountered with longer pulse lasers.

  5. Modeling of the response under radiation of electronic dosemeters

    International Nuclear Information System (INIS)

    Menard, S.

    2003-01-01

    The simulation with with calculation codes the interactions and the transport of primary and secondary radiations in the detectors allows to reduce the number of developed prototypes and the number of experiments under radiation. The simulation makes possible the determination of the response of the instrument for exposure configurations more extended that these ones of references radiations produced in laboratories. The M.C.N.P.X. allows to transport, over the photons, electrons and neutrons, the charged particles heavier than the electrons and to simulate the radiation - matter interactions for a certain number of particles. The present paper aims to present the interest of the use of the M.C.N.P.X. code in the study, research and evaluation phases of the instrumentation necessary to the dosimetry monitoring. To do that the presentation gives the results of the modeling of a prototype of a equivalent tissue proportional counter (C.P.E.T.) and of the C.R.A.M.A.L. ( radiation protection apparatus marketed by the Eurisys Mesures society). (N.C.)

  6. A Model of Electron-Positron Pair Formation

    Directory of Open Access Journals (Sweden)

    Lehnert B.

    2008-01-01

    Full Text Available The elementary electron-positron pair formation process is consideredin terms of a revised quantum electrodynamic theory, with specialattention to the conservation of energy, spin, and electric charge.The theory leads to a wave-packet photon model of narrow line widthand needle-radiation properties, not being available from conventionalquantum electrodynamics which is based on Maxwell's equations. Themodel appears to be consistent with the observed pair productionprocess, in which the created electron and positron form two raysthat start within a very small region and have original directionsalong the path of the incoming photon. Conservation of angular momentum requires the photon to possess a spin, as given by the present theory but not by the conventional one. The nonzero electric field divergence further gives rise to a local intrinsic electric charge density within the photon body, whereas there is a vanishing total charge of the latter. This may explain the observed fact that the photon decays on account of the impact from an external electric field. Such a behaviour should not become possible for a photon having zero local electric charge density.

  7. A proposed model of e-trust for electronic banking

    Directory of Open Access Journals (Sweden)

    Neda Yousefi

    2015-11-01

    Full Text Available Customer’s trust is the most important and one of the key factors of success in e-commerce. However, trust is the essential aspects of e-banking adoption and the main element for building long-term relationships with the bank's customers. So the purpose of this research is to investigate the factors influencing on customer′s trust in e-banking services and prioritize them. Therefore, designed questionnaire was distributed among 177 electronic service customers in number of banks in the city of Karaj, Iran. Likert quintuplet scales were used to measure the variables. After collecting the questionnaires, the data were analyzed by structural equation modeling (by using LISREL 8.5. The results revealed that quality of electronic services such as ease of use, privacy and security, individual characteristics of customers such as disposition to trust and features of bank such as reputation, size and dependence on government, have had the greatest effect on customer′s trust in e-banking services.

  8. Dilbert-Peter model of organization effectiveness: computer simulations

    OpenAIRE

    Sobkowicz, Pawel

    2010-01-01

    We describe a computer model of general effectiveness of a hierarchical organization depending on two main aspects: effects of promotion to managerial levels and efforts to self-promote of individual employees, reducing their actual productivity. The combination of judgment by appearance in the promotion to higher levels of hierarchy and the Peter Principle (which states that people are promoted to their level of incompetence) results in fast declines in effectiveness of the organization. The...

  9. Modeling nanostructure-enhanced light trapping in organic solar cells

    DEFF Research Database (Denmark)

    Adam, Jost

    A promising approach for improving the power conversion efficiencies of organic solar cells (OSCs) is by incorporating nanostructures in their thin film architecture to improve the light absorption in the device’s active polymer layers. Here, we present a modelling framework for the prediction....... Diffraction by fractal metallic supergratings. Optics Express, 15(24), 15628–15636 (2007) [3] Goszczak, A. J. et al. Nanoscale Aluminum dimples for light trapping in organic thin films (submitted)...

  10. Nonlinear electromagnetic gyrokinetic particle simulations with the electron hybrid model

    Science.gov (United States)

    Nishimura, Y.; Lin, Z.; Chen, L.; Hahm, T.; Wang, W.; Lee, W.

    2006-10-01

    The electromagnetic model with fluid electrons is successfully implemented into the global gyrokinetic code GTC. In the ideal MHD limit, shear Alfven wave oscillation and continuum damping is demonstrated. Nonlinear electromagnetic simulation is further pursued in the presence of finite ηi. Turbulence transport in the AITG unstable β regime is studied. This work is supported by Department of Energy (DOE) Grant DE-FG02-03ER54724, Cooperative Agreement No. DE-FC02-04ER54796 (UCI), DOE Contract No. DE-AC02-76CH03073 (PPPL), and in part by SciDAC Center for Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas. Z. Lin, et al., Science 281, 1835 (1998). F. Zonca and L. Chen, Plasma Phys. Controlled Fusion 30, 2240 (1998); G. Zhao and L. Chen, Phys. Plasmas 9, 861 (2002).

  11. Comprehensive Power Losses Model for Electronic Power Transformer

    DEFF Research Database (Denmark)

    Yue, Quanyou; Li, Canbing; Cao, Yijia

    2018-01-01

    and considering the impact of the non-unity power factor and the three-phase unbalanced current, the overall power losses in the distribution network when using the EPT to replace the conventional transformer is analyzed, and the conditions in which the application of the EPT can cause less power losses...... reduced power losses in the distribution network require a comprehensive consideration when comparing the power losses of theEPT and conventional transformer. In this paper, a comprehensive power losses analysis model for the EPT in distribution networks is proposed. By analyzing the EPT self-losses......The electronic power transformer (EPT) has highe rpower losses than the conventional transformer. However, the EPT can correct the power factor, compensate the unbalanced current and reduce the line power losses in the distribution network.Therefore, the higher losses of the EPT and the consequent...

  12. Comprehensive Power Losses Model for Electronic Power Transformer

    DEFF Research Database (Denmark)

    Yue, Quanyou; Li, Canbing; Cao, Yijia

    2018-01-01

    The electronic power transformer (EPT) has highe rpower losses than the conventional transformer. However, the EPT can correct the power factor, compensate the unbalanced current and reduce the line power losses in the distribution network.Therefore, the higher losses of the EPT and the consequent......-losses and considering the impact of the non-unity power factor and the three-phase unbalanced current, the overall power losses in the distribution network when using the EPT to replace the conventional transformer is analyzed, and the conditions in which the application of the EPT can cause less power losses...... reduced power losses in the distribution network require a comprehensive consideration when comparing the power losses of theEPT and conventional transformer. In this paper, a comprehensive power losses analysis model for the EPT in distribution networks is proposed. By analyzing the EPT self...

  13. Ectocarpus: a model organism for the brown algae.

    Science.gov (United States)

    Coelho, Susana M; Scornet, Delphine; Rousvoal, Sylvie; Peters, Nick T; Dartevelle, Laurence; Peters, Akira F; Cock, J Mark

    2012-02-01

    The brown algae are an interesting group of organisms from several points of view. They are the dominant organisms in many coastal ecosystems, where they often form large, underwater forests. They also have an unusual evolutionary history, being members of the stramenopiles, which are very distantly related to well-studied animal and green plant models. As a consequence of this history, brown algae have evolved many novel features, for example in terms of their cell biology and metabolic pathways. They are also one of only a small number of eukaryotic groups to have independently evolved complex multicellularity. Despite these interesting features, the brown algae have remained a relatively poorly studied group. This situation has started to change over the last few years, however, with the emergence of the filamentous brown alga Ectocarpus as a model system that is amenable to the genomic and genetic approaches that have proved to be so powerful in more classical model organisms such as Drosophila and Arabidopsis.

  14. Finite Element Models for Electron Beam Freeform Fabrication Process

    Science.gov (United States)

    Chandra, Umesh

    2012-01-01

    Electron beam freeform fabrication (EBF3) is a member of an emerging class of direct manufacturing processes known as solid freeform fabrication (SFF); another member of the class is the laser deposition process. Successful application of the EBF3 process requires precise control of a number of process parameters such as the EB power, speed, and metal feed rate in order to ensure thermal management; good fusion between the substrate and the first layer and between successive layers; minimize part distortion and residual stresses; and control the microstructure of the finished product. This is the only effort thus far that has addressed computer simulation of the EBF3 process. The models developed in this effort can assist in reducing the number of trials in the laboratory or on the shop floor while making high-quality parts. With some modifications, their use can be further extended to the simulation of laser, TIG (tungsten inert gas), and other deposition processes. A solid mechanics-based finite element code, ABAQUS, was chosen as the primary engine in developing these models whereas a computational fluid dynamics (CFD) code, Fluent, was used in a support role. Several innovative concepts were developed, some of which are highlighted below. These concepts were implemented in a number of new computer models either in the form of stand-alone programs or as user subroutines for ABAQUS and Fluent codes. A database of thermo-physical, mechanical, fluid, and metallurgical properties of stainless steel 304 was developed. Computing models for Gaussian and raster modes of the electron beam heat input were developed. Also, new schemes were devised to account for the heat sink effect during the deposition process. These innovations, and others, lead to improved models for thermal management and prediction of transient/residual stresses and distortions. Two approaches for the prediction of microstructure were pursued. The first was an empirical approach involving the

  15. Modeling Electronic Skin Response to Normal Distributed Force

    Directory of Open Access Journals (Sweden)

    Lucia Seminara

    2018-02-01

    Full Text Available The reference electronic skin is a sensor array based on PVDF (Polyvinylidene fluoride piezoelectric polymers, coupled to a rigid substrate and covered by an elastomer layer. It is first evaluated how a distributed normal force (Hertzian distribution is transmitted to an extended PVDF sensor through the elastomer layer. A simplified approach based on Boussinesq’s half-space assumption is used to get a qualitative picture and extensive FEM simulations allow determination of the quantitative response for the actual finite elastomer layer. The ultimate use of the present model is to estimate the electrical sensor output from a measure of a basic mechanical action at the skin surface. However this requires that the PVDF piezoelectric coefficient be known a-priori. This was not the case in the present investigation. However, the numerical model has been used to fit experimental data from a real skin prototype and to estimate the sensor piezoelectric coefficient. It turned out that this value depends on the preload and decreases as a result of PVDF aging and fatigue. This framework contains all the fundamental ingredients of a fully predictive model, suggesting a number of future developments potentially useful for skin design and validation of the fabrication technology.

  16. Thermal expansion model for multiphase electronic packaging materials

    International Nuclear Information System (INIS)

    Allred, B.E.; Warren, W.E.

    1991-01-01

    Control of thermal expansion is often necessary in the design and selection of electronic packages. In some instances, it is desirable to have a coefficient of thermal expansion intermediate between values readily attainable with single or two phase materials. The addition of a third phase in the form of fillers, whiskers, or fibers can be used to attain intermediate expansions. To help design the thermal expansion of multiphase materials for specific applications, a closed form model has been developed that accurately predicts the effective elastic properties of isotropic filled materials and transversely isotropic lamina. Properties of filled matrix materials are used as inputs to the lamina model to obtain the composite elastic properties as a function of the volume fraction of each phase. Hybrid composites with two or more fiber types are easily handled with this model. This paper reports that results for glass, quartz, and Kevlar fibers with beta-eucryptite filled polymer matrices show good agreement with experimental results for X, Y, and Z thermal expansion coefficients

  17. Modelling the fate of organic micropollutants in stormwater ponds

    DEFF Research Database (Denmark)

    Vezzaro, Luca; Eriksson, Eva; Ledin, Anna

    2011-01-01

    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...... substance inherent properties to calculate MP fate but differ in their ability to represent the small physical scale and high temporal variability of stormwater treatment systems. Therefore the three models generate different results. A Global Sensitivity Analysis (GSA) highlighted that settling...

  18. Models for the transport of low energy electrons in water and the yield of hydrated electrons at early times

    International Nuclear Information System (INIS)

    Brenner, D.J.; Miller, J.H.; Ritchie, R.H.; Bichsel, H.

    1985-01-01

    An insulator model with four experimental energy bands was used to fit the optical properties of liquid water and to extend these data to non-zero momentum transfer. Inelastic mean free paths derived from this dielectric response function provided the basic information necessary to degrade high energy electrons to the subexcitation energy domain. Two approaches for the transport of subexcitation electrons were investigated. (i) Gas phase cross sections were used to degrade subexcitation electrons to thermal energy and the thermalization lengths were scaled to unit density. (ii) Thermalization lengths were estimated by age-diffusion theory with a stopping power deduced from the data on liquid water and transport cross sections derived from elastic scattering in water vapor. Theoretical ranges were compared to recent experimental results. A stochastic model was used to calculate the rapid diffusion and reaction of hydrated electrons with other radiolysis products. The sensitivity of the calculated yields to the model assumptions and comparison with experimental data are discussed

  19. High field electron paramagnetic resonance characterization of electronic and structural environments for paramagnetic metal ions and organic free radicals in Deepwater Horizon oil spill tar balls.

    Science.gov (United States)

    Ramachandran, Vasanth; van Tol, Johan; McKenna, Amy M; Rodgers, Ryan P; Marshall, Alan G; Dalal, Naresh S

    2015-02-17

    In the first use of high-field electron paramagnetic resonance (EPR) spectroscopy to characterize paramagnetic metal-organic and free radical species from tar balls and weathered crude oil samples from the Gulf of Mexico (collected after the Deepwater Horizon oil spill) and an asphalt volcano sample collected off the coast of Santa Barbara, CA, we are able to identify for the first time the various paramagnetic species present in the native state of these samples and understand their molecular structures and bonding. The two tar ball and one asphalt volcano samples contain three distinct paramagnetic species: (i) an organic free radical, (ii) a [VO](2+) containing porphyrin, and (iii) a Mn(2+) containing complex. The organic free radical was found to have a disc-shaped or flat structure, based on its axially symmetric spectrum. The characteristic spectral features of the vanadyl species closely resemble those of pure vanadyl porphyrin; hence, its nuclear framework around the vanadyl ion must be similar to that of vanadyl octaethyl porphyrin (VOOEP). The Mn(2+) ion, essentially undetected by low-field EPR, yields a high-field EPR spectrum with well-resolved hyperfine features devoid of zero-field splitting, characteristic of tetrahedral or octahedral Mn-O bonding. Although the lower-field EPR signals from the organic free radicals in fossil fuel samples have been investigated over the last 5 decades, the observed signal was featureless. In contrast, high-field EPR (up to 240 GHz) reveals that the species is a disc-shaped hydrocarbon molecule in which the unpaired electron is extensively delocalized. We envisage that the measured g-value components will serve as a sensitive basis for electronic structure calculations. High-field electron nuclear double resonance experiments should provide an accurate picture of the spin density distribution for both the vanadyl-porphyrin and Mn(2+) complexes, as well as the organic free radical, and will be the focus of follow

  20. Application of the Electronic Nose Technique to Differentiation between Model Mixtures with COPD Markers

    Directory of Open Access Journals (Sweden)

    Jacek Namieśnik

    2013-04-01

    Full Text Available The paper presents the potential of an electronic nose technique in the field of fast diagnostics of patients suspected of Chronic Obstructive Pulmonary Disease (COPD. The investigations were performed using a simple electronic nose prototype equipped with a set of six semiconductor sensors manufactured by FIGARO Co. They were aimed at verification of a possibility of differentiation between model reference mixtures with potential COPD markers (N,N-dimethylformamide and N,N-dimethylacetamide. These mixtures contained volatile organic compounds (VOCs such as acetone, isoprene, carbon disulphide, propan-2-ol, formamide, benzene, toluene, acetonitrile, acetic acid, dimethyl ether, dimethyl sulphide, acrolein, furan, propanol and pyridine, recognized as the components of exhaled air. The model reference mixtures were prepared at three concentration levels—10 ppb, 25 ppb, 50 ppb v/v—of each component, except for the COPD markers. Concentration of the COPD markers in the mixtures was from 0 ppb to 100 ppb v/v. Interpretation of the obtained data employed principal component analysis (PCA. The investigations revealed the usefulness of the electronic device only in the case when the concentration of the COPD markers was twice as high as the concentration of the remaining components of the mixture and for a limited number of basic mixture components.

  1. Modelling of pathologies of the nervous system by the example of computational and electronic models of elementary nervous systems

    International Nuclear Information System (INIS)

    Shumilov, V. N.; Syryamkin, V. I.; Syryamkin, M. V.

    2015-01-01

    The paper puts forward principles of action of devices operating similarly to the nervous system and the brain of biological systems. We propose an alternative method of studying diseases of the nervous system, which may significantly influence prevention, medical treatment, or at least retardation of development of these diseases. This alternative is to use computational and electronic models of the nervous system. Within this approach, we represent the brain in the form of a huge electrical circuit composed of active units, namely, neuron-like units and connections between them. As a result, we created computational and electronic models of elementary nervous systems, which are based on the principles of functioning of biological nervous systems that we have put forward. Our models demonstrate reactions to external stimuli and their change similarly to the behavior of simplest biological organisms. The models possess the ability of self-training and retraining in real time without human intervention and switching operation/training modes. In our models, training and memorization take place constantly under the influence of stimuli on the organism. Training is without any interruption and switching operation modes. Training and formation of new reflexes occur by means of formation of new connections between excited neurons, between which formation of connections is physically possible. Connections are formed without external influence. They are formed under the influence of local causes. Connections are formed between outputs and inputs of two neurons, when the difference between output and input potentials of excited neurons exceeds a value sufficient to form a new connection. On these grounds, we suggest that the proposed principles truly reflect mechanisms of functioning of biological nervous systems and the brain. In order to confirm the correspondence of the proposed principles to biological nature, we carry out experiments for the study of processes of

  2. Modelling of pathologies of the nervous system by the example of computational and electronic models of elementary nervous systems

    Energy Technology Data Exchange (ETDEWEB)

    Shumilov, V. N., E-mail: vnshumilov@rambler.ru; Syryamkin, V. I., E-mail: maximus70sir@gmail.com; Syryamkin, M. V., E-mail: maximus70sir@gmail.com [National Research Tomsk State University, 634050, Tomsk, Lenin Avenue, 36 (Russian Federation)

    2015-11-17

    The paper puts forward principles of action of devices operating similarly to the nervous system and the brain of biological systems. We propose an alternative method of studying diseases of the nervous system, which may significantly influence prevention, medical treatment, or at least retardation of development of these diseases. This alternative is to use computational and electronic models of the nervous system. Within this approach, we represent the brain in the form of a huge electrical circuit composed of active units, namely, neuron-like units and connections between them. As a result, we created computational and electronic models of elementary nervous systems, which are based on the principles of functioning of biological nervous systems that we have put forward. Our models demonstrate reactions to external stimuli and their change similarly to the behavior of simplest biological organisms. The models possess the ability of self-training and retraining in real time without human intervention and switching operation/training modes. In our models, training and memorization take place constantly under the influence of stimuli on the organism. Training is without any interruption and switching operation modes. Training and formation of new reflexes occur by means of formation of new connections between excited neurons, between which formation of connections is physically possible. Connections are formed without external influence. They are formed under the influence of local causes. Connections are formed between outputs and inputs of two neurons, when the difference between output and input potentials of excited neurons exceeds a value sufficient to form a new connection. On these grounds, we suggest that the proposed principles truly reflect mechanisms of functioning of biological nervous systems and the brain. In order to confirm the correspondence of the proposed principles to biological nature, we carry out experiments for the study of processes of

  3. Electronic pairing mechanism due to band modification in a two-band model: Tc evaluation

    International Nuclear Information System (INIS)

    Mizia, J.; Gorski, G.; Traa, M.R.M.J.

    1997-01-01

    Following the electronic model developed by us previously (Mizia and Romanowski, Mizia) we estimate the superconducting transition temperature in a simple electronic two-band model for materials characterized by a broad superconducting band and a narrow level within the same energy range. A large electron deformation coupling constant and large electron correlation effects are assumed. It is shown that high-temperature superconductivity is entirely possible within a range of reasonable electronic parameters. This model does not assume any artificial interactions to obtain a negative pairing potential. Instead, the negative part of the electronic interaction potential comes from the modification of the electron dispersion relation with growing number of superconducting pairs. Such a modification is possible in soft electronic systems, i.e. in systems partial to band modification due to large internal stresses, strong electronic correlation effects and broad band narrow level charge transfer during the superconducting transition. (orig.)

  4. Metal presence influence on the efficiency of the organic compounds degradation caused by the electron beam irradiation

    International Nuclear Information System (INIS)

    Duarte, Celina Lopes; Oikawa, Hiroshi; Sampa, Maria Helena de Oliveira; Silveira, Carlos Gaia da; Ribeiro, Marcia Almeida; Sato, Ivone Mulako

    2002-01-01

    Actual industrial effluent from chemical, textile, pharmaceutical and painting industries has high level of organic compound, usually, together metals. The high efficiency of electron beam irradiation on removing organic compound in industrial effluent has been showed. A study to evaluate the Advanced Oxidation Process by electron beam irradiation to remove organic compound from simulated industrial effluent with two high metals concentration as Na, Cl, Ca, P, K, Si, Al, Zn, Fe, Mn, Cd, Pb, As e Hg, was carried out. The metals concentration was determined with the technique of Wavelength Dispersion X-Ray Spectrometry Fluorescence (WD-XRF). Experiments were conducted using a Radiation Dynamics Electron Beam Accelerator with 1,5 MeV energy and 37 kW power. The simulated effluent samples were irradiated in a batch system. The electron beam irradiation showed be efficient on destroying the organic compounds dichloroethane, methylisobutilketone, toluene, xylene, benzene, chloroform, tetrachloroethylene and trichloroethylene, even in presence of metals, but in this case the efficiency is decreased. To remove more than 90% of all organic compounds was necessary a 20 kGy dose for free metals samples and 50 kGy for the two simulated effluent samples. (author)

  5. Towards model evaluation and identification using Self-Organizing Maps

    Directory of Open Access Journals (Sweden)

    M. Herbst

    2008-04-01

    Full Text Available The reduction of information contained in model time series through the use of aggregating statistical performance measures is very high compared to the amount of information that one would like to draw from it for model identification and calibration purposes. It has been readily shown that this loss imposes important limitations on model identification and -diagnostics and thus constitutes an element of the overall model uncertainty. In this contribution we present an approach using a Self-Organizing Map (SOM to circumvent the identifiability problem induced by the low discriminatory power of aggregating performance measures. Instead, a Self-Organizing Map is used to differentiate the spectrum of model realizations, obtained from Monte-Carlo simulations with a distributed conceptual watershed model, based on the recognition of different patterns in time series. Further, the SOM is used instead of a classical optimization algorithm to identify those model realizations among the Monte-Carlo simulation results that most closely approximate the pattern of the measured discharge time series. The results are analyzed and compared with the manually calibrated model as well as with the results of the Shuffled Complex Evolution algorithm (SCE-UA. In our study the latter slightly outperformed the SOM results. The SOM method, however, yields a set of equivalent model parameterizations and therefore also allows for confining the parameter space to a region that closely represents a measured data set. This particular feature renders the SOM potentially useful for future model identification applications.

  6. Improving high-altitude emp modeling capabilities by using a non-equilibrium electron swarm model to monitor conduction electron evolution

    Science.gov (United States)

    Pusateri, Elise Noel

    An Electromagnetic Pulse (EMP) can severely disrupt the use of electronic devices in its path causing a significant amount of infrastructural damage. EMP can also cause breakdown of the surrounding atmosphere during lightning discharges. This makes modeling EMP phenomenon an important research effort in many military and atmospheric physics applications. EMP events include high-energy Compton electrons or photoelectrons that ionize air and produce low energy conduction electrons. A sufficient number of conduction electrons will damp or alter the EMP through conduction current. Therefore, it is important to understand how conduction electrons interact with air in order to accurately predict the EMP evolution and propagation in the air. It is common for EMP simulation codes to use an equilibrium ohmic model for computing the conduction current. Equilibrium ohmic models assume the conduction electrons are always in equilibrium with the local instantaneous electric field, i.e. for a specific EMP electric field, the conduction electrons instantaneously reach steady state without a transient process. An equilibrium model will work well if the electrons have time to reach their equilibrium distribution with respect to the rise time or duration of the EMP. If the time to reach equilibrium is comparable or longer than the rise time or duration of the EMP then the equilibrium model would not accurately predict the conduction current necessary for the EMP simulation. This is because transport coefficients used in the conduction current calculation will be found based on equilibrium reactions rates which may differ significantly from their non-equilibrium values. We see this deficiency in Los Alamos National Laboratory's EMP code, CHAP-LA (Compton High Altitude Pulse-Los Alamos), when modeling certain EMP scenarios at high altitudes, such as upward EMP, where the ionization rate by secondary electrons is over predicted by the equilibrium model, causing the EMP to short

  7. Transferable Atomic Multipole Machine Learning Models for Small Organic Molecules.

    Science.gov (United States)

    Bereau, Tristan; Andrienko, Denis; von Lilienfeld, O Anatole

    2015-07-14

    Accurate representation of the molecular electrostatic potential, which is often expanded in distributed multipole moments, is crucial for an efficient evaluation of intermolecular interactions. Here we introduce a machine learning model for multipole coefficients of atom types H, C, O, N, S, F, and Cl in any molecular conformation. The model is trained on quantum-chemical results for atoms in varying chemical environments drawn from thousands of organic molecules. Multipoles in systems with neutral, cationic, and anionic molecular charge states are treated with individual models. The models' predictive accuracy and applicability are illustrated by evaluating intermolecular interaction energies of nearly 1,000 dimers and the cohesive energy of the benzene crystal.

  8. Self-organized Criticality Model for Ocean Internal Waves

    International Nuclear Information System (INIS)

    Wang Gang; Hou Yijun; Lin Min; Qiao Fangli

    2009-01-01

    In this paper, we present a simple spring-block model for ocean internal waves based on the self-organized criticality (SOC). The oscillations of the water blocks in the model display power-law behavior with an exponent of -2 in the frequency domain, which is similar to the current and sea water temperature spectra in the actual ocean and the universal Garrett and Munk deep ocean internal wave model [Geophysical Fluid Dynamics 2 (1972) 225; J. Geophys. Res. 80 (1975) 291]. The influence of the ratio of the driving force to the spring coefficient to SOC behaviors in the model is also discussed. (general)

  9. Lumped Parameter Modeling for Rapid Vibration Response Prototyping and Test Correlation for Electronic Units

    Science.gov (United States)

    Van Dyke, Michael B.

    2013-01-01

    Present preliminary work using lumped parameter models to approximate dynamic response of electronic units to random vibration; Derive a general N-DOF model for application to electronic units; Illustrate parametric influence of model parameters; Implication of coupled dynamics for unit/board design; Demonstrate use of model to infer printed wiring board (PWB) dynamics from external chassis test measurement.

  10. A Massless-Point-Charge Model for the Electron

    Directory of Open Access Journals (Sweden)

    Daywitt W. C.

    2010-04-01

    Full Text Available "It is rather remarkable that the modern concept of electrodynamics is not quite 100 years old and yet still does not rest firmly upon uniformly accepted theoretical foundations. Maxwell's theory of the electromagnetic field is firmly ensconced in modern physics, to be sure, but the details of how charged particles are to be coupled to this field remain somewhat uncertain, despite the enormous advances in quantum electrodynamics over the past 45 years. Our theories remain mathematically ill-posed and mired in conceptual ambiguities which quantum mechanics has only moved to another arena rather than resolve. Fundamentally, we still do not understand just what is a charged particle" (Grandy W.T. Jr. Relativistic quantum mechanics of leptons and fields. Kluwer Academic Publishers, Dordrecht-London, 1991, p.367. As a partial answer to the preceeding quote, this paper presents a new model for the electron that combines the seminal work of Puthoff with the theory of the Planck vacuum (PV, the basic idea for the model following from Puthoff with the PV theory adding some important details.

  11. Electron percolation in realistic models of carbon nanotube networks

    Science.gov (United States)

    Simoneau, Louis-Philippe; Villeneuve, Jérémie; Rochefort, Alain

    2015-09-01

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.

  12. Electron beam lithographic modeling assisted by artificial intelligence technology

    Science.gov (United States)

    Nakayamada, Noriaki; Nishimura, Rieko; Miura, Satoru; Nomura, Haruyuki; Kamikubo, Takashi

    2017-07-01

    We propose a new concept of tuning a point-spread function (a "kernel" function) in the modeling of electron beam lithography using the machine learning scheme. Normally in the work of artificial intelligence, the researchers focus on the output results from a neural network, such as success ratio in image recognition or improved production yield, etc. In this work, we put more focus on the weights connecting the nodes in a convolutional neural network, which are naturally the fractions of a point-spread function, and take out those weighted fractions after learning to be utilized as a tuned kernel. Proof-of-concept of the kernel tuning has been demonstrated using the examples of proximity effect correction with 2-layer network, and charging effect correction with 3-layer network. This type of new tuning method can be beneficial to give researchers more insights to come up with a better model, yet it might be too early to be deployed to production to give better critical dimension (CD) and positional accuracy almost instantly.

  13. There Is No Simple Model of the Plasma Membrane Organization

    Science.gov (United States)

    Bernardino de la Serna, Jorge; Schütz, Gerhard J.; Eggeling, Christian; Cebecauer, Marek

    2016-01-01

    Ever since technologies enabled the characterization of eukaryotic plasma membranes, heterogeneities in the distributions of its constituents were observed. Over the years this led to the proposal of various models describing the plasma membrane organization such as lipid shells, picket-and-fences, lipid rafts, or protein islands, as addressed in numerous publications and reviews. Instead of emphasizing on one model we in this review give a brief overview over current models and highlight how current experimental work in one or the other way do not support the existence of a single overarching model. Instead, we highlight the vast variety of membrane properties and components, their influences and impacts. We believe that highlighting such controversial discoveries will stimulate unbiased research on plasma membrane organization and functionality, leading to a better understanding of this essential cellular structure. PMID:27747212

  14. Detection of the Presence of Gold Nanoparticles in Organs by Transmission Electron Microscopy

    Directory of Open Access Journals (Sweden)

    Marina C. Burger

    2010-09-01

    Full Text Available Gold nanoparticles of 10 nm and 250 nm were intravenously injected in rats. At 24 h after administration, tissues were collected and prepared for transmission electron microscopy (TEM. In the liver and spleen of animals treated with 10 nm gold nanoparticles, groups of nanoparticles were observed that could be positively identified by Energy Dispersive X-ray (EDX analysis to contain gold, while nanoparticles could not be detected in the heart, kidney and brain. The 10 nm gold nanoparticles were present in the phagocytic cells of the reticulo-endothelial system (RES. The 250 nm gold nanoparticles could not be detected in any of the organs investigated. Considering the number of 250 nm gold nanoparticles administered, calculations showed that it would indeed be almost impossible to detect the 250 nm gold nanoparticles in TEM preparations in view of the very low number of particles that would be theoretically present in one TEM tissue section. This shows that relatively high numbers of nanoparticles need to be administered to enable the detection of nanoparticles in organs by TEM. In a number of samples, several globular structures of approximately the expected size were found in liver cells and the endothelium of blood vessels in the brain. However, elemental analysis with EDX detection showed that these structures did not contain gold. Our studies thus indicate that the in vivo identification of nanoparticles cannot only depend on the detection of nanosized structures in cells. An additional identification of the composing elements of the nanomaterial is necessary for a positive identification of the nanomaterial.

  15. The SAFER guides: empowering organizations to improve the safety and effectiveness of electronic health records.

    Science.gov (United States)

    Sittig, Dean F; Ash, Joan S; Singh, Hardeep

    2014-05-01

    Electronic health records (EHRs) have potential to improve quality and safety of healthcare. However, EHR users have experienced safety concerns from EHR design and usability features that are not optimally adapted for the complex work flow of real-world practice. Few strategies exist to address unintended consequences from implementation of EHRs and other health information technologies. We propose that organizations equipped with EHRs should consider the strategy of "proactive risk assessment" of their EHR-enabled healthcare system to identify and address EHR-related safety concerns. In this paper, we describe the conceptual underpinning of an EHR-related self-assessment strategy to provide institutions a foundation upon which they could build their safety efforts. With support from the Office of the National Coordinator for Health Information Technology (ONC), we used a rigorous, iterative process to develop a set of 9 self-assessment tools to optimize the safety and safe use of EHRs. These tools, referred to as the Safety Assurance Factors for EHR Resilience (SAFER) guides, could be used to self-assess safety and effectiveness of EHR implementations, identify specific areas of vulnerability, and create solutions and culture change to mitigate risks. A variety of audiences could conduct these assessments, including frontline clinicians or care teams in different practices, or clinical, quality, or administrative leaders within larger institutions. The guides use a multifaceted systems-based approach to assess risk and empower organizations to work with internal or external stakeholders (eg, EHR developers) on optimizing EHR functionality and using EHRs to drive improvements in the quality and safety of healthcare.

  16. Financial incentives: alternatives to the altruistic model of organ donation.

    Science.gov (United States)

    Siminoff, L A; Leonard, M D

    1999-12-01

    Improvements in transplantation techniques have resulted in a demand for transplantable organs that far outpaces supply. Present efforts to secure organs use an altruistic system designed to appeal to a public that will donate organs because they are needed. Efforts to secure organs under this system have not been as successful as hoped. Many refinements to the altruistic model have been or are currently being proposed, such as "required request," "mandated choice," "routine notification," and "presumed consent." Recent calls for market approaches to organ procurement reflect growing doubts about the efficacy of these refinements. Market approaches generally use a "futures market," with benefits payable either periodically or when or if organs are procured. Lump-sum arrangements could include donations to surviving family or contributions to charities or to funeral costs. Possibilities for a periodic system of payments include reduced premiums for health or life insurance, or a reciprocity system whereby individuals who periodically reaffirm their willingness to donate are given preference if they require a transplant. Market approaches do raise serious ethical issues, including potential exploitation of the poor. Such approaches may also be effectively proscribed by the 1984 National Organ Transplant Act.

  17. Modeling of the transient mobility in disordered organic semiconductors

    NARCIS (Netherlands)

    Germs, W.C.; Van der Holst, J.M.M.; Van Mensfoort, S.L.M.; Bobbert, P.A.; Coehoorn, R.

    2011-01-01

    In non-steady-state experiments, the electrical response of devicesbased on disordered organic semiconductors often shows a large transient contribution due to relaxation of the out-of-equilibrium charge-carrier distribution. We have developed a model describing this process, based only on the

  18. There Is No Simple Model of the Plasma Membrane Organization

    Czech Academy of Sciences Publication Activity Database

    de la serna, J. B.; Schütz, G.; Eggeling, Ch.; Cebecauer, Marek

    2016-01-01

    Roč. 4, SEP 2016 (2016), 106 ISSN 2296-634X R&D Projects: GA ČR GA15-06989S Institutional support: RVO:61388955 Keywords : plasma membrane * membrane organization models * heterogeneous distribution Subject RIV: CF - Physical ; Theoretical Chemistry

  19. Waste Reduction Model (WARM) Resources for Small Businesses and Organizations

    Science.gov (United States)

    This page provides a brief overview of how EPA’s Waste Reduction Model (WARM) can be used by small businesses and organizations. The page includes a brief summary of uses of WARM for the audience and links to other resources.

  20. Editorial: Plant organ abscission: from models to crops

    Science.gov (United States)

    The shedding of plant organs is a highly coordinated process essential for both vegetative and reproductive development (Addicott, 1982; Sexton and Roberts, 1982; Roberts et al., 2002; Leslie et al., 2007; Roberts and Gonzalez-Carranza, 2007; Estornell et al., 2013). Research with model plants, name...

  1. Modeling growth of specific spoilage organisms in tilapia ...

    African Journals Online (AJOL)

    enoh

    2012-03-29

    Mar 29, 2012 ... Tilapia is an important aquatic fish, but severe spoilage of tilapia is most likely related to the global aquaculture. The spoilage is mostly caused by specific spoilage organisms (SSO). Therefore, it is very important to use microbial models to predict the growth of SSO in tilapia. This study firstly verified.

  2. A model of virtual organization for corporate visibility and ...

    African Journals Online (AJOL)

    This paper considers the existing numerous research in business, Information and Communication Technology (ICT), examines a theoretical framework for value creation in a virtual world. Following a proposed model, a new strategic paradigm is created for corporate value; and virtual organization (VO) apply the use of ...

  3. Modeling growth of specific spoilage organisms in tilapia ...

    African Journals Online (AJOL)

    Tilapia is an important aquatic fish, but severe spoilage of tilapia is most likely related to the global aquaculture. The spoilage is mostly caused by specific spoilage organisms (SSO). Therefore, it is very important to use microbial models to predict the growth of SSO in tilapia. This study firstly verified Pseudomonas and Vibrio ...

  4. Promoting Representational Competence with Molecular Models in Organic Chemistry

    Science.gov (United States)

    Stull, Andrew T.; Gainer, Morgan; Padalkar, Shamin; Hegarty, Mary

    2016-01-01

    Mastering the many different diagrammatic representations of molecules used in organic chemistry is challenging for students. This article summarizes recent research showing that manipulating 3-D molecular models can facilitate the understanding and use of these representations. Results indicate that students are more successful in translating…

  5. Development of electronic document management system for scientific and technical design administration automation (evidence from European Organization for Nuclear Research)

    International Nuclear Information System (INIS)

    Titov, R.N.

    2011-01-01

    The new principles and methods of electronic document management system construction are developed. The software package for electronic document handling is made, it provides automation of work flow management and permits to trace and correct on-line the flow of documents. The formal models of electronic documents describing complex hierarchic structures of data with the use of XML-trees are considered. On the base of investigations conducted the CERN electronic document management system has been upgraded, it allowed to shorten more than twofold the time for automation of new business processes [ru

  6. Microstructural and Electronic Origins of Open-Circuit Voltage Tuning in Organic Solar Cells Based on Ternary Blends

    KAUST Repository

    Mollinger, Sonya A.

    2015-09-22

    © 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. Organic ternary heterojunction photovoltaic blends are sometimes observed to undergo a gradual evolution in open-circuit voltage (Voc) with increasing amounts of a second donor or an acceptor. The Voc is strongly correlated with the energy of the charge transfer state in the blend, but this value depends on both local and mesoscopic orders. In this work, the behavior of Voc in the presence of a wide range of interfacial electronic states is investigated. The key charge transfer state interfaces responsible for Voc in several model systems with varying morphology are identified. Systems consisting of one donor with two fullerene molecules and of one acceptor with a donor polymer of varying regio-regularity are used. The effects from the changing energetic disorder in the material and from the variation due to a law of simple mixtures are quantified. It has been found that populating the higher-energy charge transfer states is not responsible for the observed change in Voc upon the addition of a third component. Aggregating polymers and miscible fullerenes are compared, and it has been concluded that in both cases charge delocalization, aggregation, and local polarization effects shift the lowest-energy charge transfer state distribution. The open-circuit voltage evolution and charge transfer state interfaces in ternary organic photovoltaic blends are investigated using several model systems. The changes in subgap spectra from energetic disorder and increased population of higher energy states are analyzed and the lowest charge transfer state distribution is observed to shift due to local aggregation and delocalization effects.

  7. Modeling High Altitude EMP using a Non-Equilibrium Electron Swarm Model to Monitor Conduction Electron Evolution (LA-UR-15-26151)

    Science.gov (United States)

    Pusateri, E. N.; Morris, H. E.; Nelson, E.; Ji, W.

    2015-12-01

    Electromagnetic pulse (EMP) events in the atmosphere are important physical phenomena that occur through both man-made and natural processes, such as lightning, and can be disruptive to surrounding electrical systems. Due to the disruptive nature of EMP, it is important to accurately predict EMP evolution and propagation with computational models. In EMP, low-energy conduction electrons are produced from Compton electron or photoelectron ionizations with air. These conduction electrons continue to interact with the surrounding air and alter the EMP waveform. Many EMP simulation codes use an equilibrium ohmic model for computing the conduction current. The equilibrium model works well when the equilibration time is short compared to the rise time or duration of the EMP. However, at high altitude, the conduction electron equilibration time can be comparable to or longer than the rise time or duration of the EMP. This matters, for example, when calculating the EMP propagating upward toward a satellite. In these scenarios, the equilibrium ionization rate becomes very large for even a modest electric field. The ohmic model produces an unphysically large number of conduction electrons that prematurely and abruptly short the EMP in the simulation code. An electron swarm model, which simulates the time evolution of conduction electrons, can be used to overcome the limitations exhibited by the equilibrium ohmic model. We have developed and validated an electron swarm model in an environment characterized by electric field and pressure previously in Pusateri et al. (2015). This swarm model has been integrated into CHAP-LA, a state-of-the-art EMP code developed by researchers at Los Alamos National Laboratory, which previously calculated conduction current using an ohmic model. We demonstrate the EMP damping behavior caused by the ohmic model at high altitudes and show improvements on high altitude EMP modeling obtained by employing the swarm model.

  8. Biomimetic approaches for engineered organ chips and skin electronics for in vitro diagnostics

    Science.gov (United States)

    Suh, Kahp-Yang; Pang, Changhyun; Jang, Kyung-Jin; Kim, Hong Nam; Jiao, Alex; Hwang, Nathaniel S.; Kim, Min Sung; Kang, Do-Hyun; Kim, Deok-Ho

    2012-10-01

    Two kinds of biomimetic systems including engineered organ chip and flexible electronic sensor are presented. First, in vivo, renal tubular epithelial cells are exposed to luminal fluid shear stress (FSS) and a transepithelial osmotic gradient. In this study, we used a simple collecting-duct-on-a-chip to investigate the role of an altered luminal microenvironment in the translocation of aquaporin-2 (AQP2) and the reorganization of actin cytoskeleton (F-actin) in primary cultured inner medullary collecting duct (IMCD) cells of rat kidney. We demonstrate that several factors (i.e., luminal FSS, hormonal stimulation, transepithelial osmotic gradient) collectively exert a profound effect on the AQP2 trafficking in the collecting ducts, which is associated with actin cytoskeletal reorganization. Furthermore, with this kidney-mimicking chip, renal toxicity of cisplatin was tested under static and fluidic conditions, suggesting the physiological relevancy of fluidic environment compared to static culture. Second, we present a simple architecture for a flexible and highly sensitive strain sensor that enables the detection of pressure, shear and torsion. The device is based on two interlocked arrays of high-aspect-ratio Pt-coated polymeric nanofibres that are supported on thin polydimethylsiloxane layers. When different sensing stimuli are applied, the degree of interconnection and the electrical resistance of the sensor changes in a reversible, directional manner with specific, discernible strain-gauge factors. We show that the sensor can be used to monitor signals ranging from human heartbeats to the impact of a bouncing water droplet on a superhydrophobic surface.

  9. High Efficiency Inverted Organic Solar Cells with a Neutral Fulleropyrrolidine Electron Collecting Interlayer

    KAUST Repository

    Xu, Weidong

    2016-05-20

    A novel fulleropyrrolidine derivative, named as FPNOH, was designed, synthesized and utilized as an efficient electron-collecting (EC) layer for inverted organic solar cells (i-OSCs). The grafted diethanolamino-polar moieties can not only trigger its function as an EC interlayer, but also induce orthogonal solubility that guarantees subsequent multi-layer processing without interfacial mixing. A higher power conversion efficiency (PCE) value of 8.34% was achieved for i-OSC devices with ITO/FPNOH EC electrode, compared to that of the sol-gel ZnO based reference devices with an optimized PCE value of 7.92%. High efficiency exceeding 7.7% was still achieved even for the devices with a relatively thick PFNOH film (16.9 nm). It is worthwhile to mention that this kind of material exhibits less thickness dependent performance, in contrast to widely utilized p-type conjugated polyelectrolytes (CPEs) as well as the non-conjugated polyelectrolytes (NCPEs). Further investigation on illuminating intensity dependent parameters revealed the role of FPNOH in reducing interfacial traps-induced recombination at ITO/active layer interface.

  10. Hafnium metallocene compounds used as cathode interfacial layers for enhanced electron transfer in organic solar cells

    Science.gov (United States)

    2012-01-01

    We have used hafnium metallocene compounds as cathode interfacial layers for organic solar cells [OSCs]. A metallocene compound consists of a transition metal and two cyclopentadienyl ligands coordinated in a sandwich structure. For the fabrication of the OSCs, poly[3,4-ethylenedioxythiophene]:poly(styrene sulfonate), poly(3-hexylthiophene-2,5-diyl) + [6,6]-phenyl C61 butyric acid methyl ester, bis-(ethylcyclopentadienyl)hafnium(IV) dichloride, and aluminum were deposited as a hole transport layer, an active layer, a cathode interfacial layer, and a cathode, respectively. The hafnium metallocene compound cathode interfacial layer improved the performance of OSCs compared to that of OSCs without the interfacial layer. The current density-voltage characteristics of OSCs with an interfacial layer thickness of 0.7 nm and of those without an interfacial layer showed power conversion efficiency [PCE] values of 2.96% and 2.34%, respectively, under an illumination condition of 100 mW/cm2 (AM 1.5). It is thought that a cathode interfacial layer of an appropriate thickness enhances the electron transfer between the active layer and the cathode, and thus increases the PCE of the OSCs. PMID:22230259

  11. Hafnium metallocene compounds used as cathode interfacial layers for enhanced electron transfer in organic solar cells

    Science.gov (United States)

    Park, Keunhee; Oh, Seungsik; Jung, Donggeun; Chae, Heeyeop; Kim, Hyoungsub; Boo, Jin-Hyo

    2012-01-01

    We have used hafnium metallocene compounds as cathode interfacial layers for organic solar cells [OSCs]. A metallocene compound consists of a transition metal and two cyclopentadienyl ligands coordinated in a sandwich structure. For the fabrication of the OSCs, poly[3,4-ethylenedioxythiophene]:poly(styrene sulfonate), poly(3-hexylthiophene-2,5-diyl) + [6, 6]-phenyl C61 butyric acid methyl ester, bis-(ethylcyclopentadienyl)hafnium(IV) dichloride, and aluminum were deposited as a hole transport layer, an active layer, a cathode interfacial layer, and a cathode, respectively. The hafnium metallocene compound cathode interfacial layer improved the performance of OSCs compared to that of OSCs without the interfacial layer. The current density-voltage characteristics of OSCs with an interfacial layer thickness of 0.7 nm and of those without an interfacial layer showed power conversion efficiency [PCE] values of 2.96% and 2.34%, respectively, under an illumination condition of 100 mW/cm2 (AM 1.5). It is thought that a cathode interfacial layer of an appropriate thickness enhances the electron transfer between the active layer and the cathode, and thus increases the PCE of the OSCs.

  12. Novel Conjugated Polymers Prepared by Direct (Hetero) arylation: An Eco-Friendly Tool for Organic Electronics.

    Science.gov (United States)

    Liu, Fuchuan; Zhang, Yangqian; Wang, Hang; Zhang, Shiming

    2018-02-13

    The phthalimide (PhI) moiety has been attracting more attention as an excellent acceptor building block in donor-acceptor (D-A) conjugated polymers. In this paper; three D-A conjugated polymers with or without thiocarbonyl moieties are successfully prepared by the direct (hetero)-arylation polymerization (DHAP), which is an atom efficient and facile synthetic strategy to obtain polymer materials. Compared with the traditional carbon-carbon coupling reactions, this method possesses more advantages, including: fewer synthetic steps, avoidance of the preparation of the organometallic reagents, higher atom economy and fewer toxic byproducts, better compatibility with chemically sensitive functional groups and so on. All three of these designed PhI-based polymers exhibited favourable optoelectronic and thermal performance. The optical, thermodynamic and electrochemical properties of the synthesized polymers were systematically investigated using ultraviolet-visible (UV-vis) spectroscopy, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and cyclic voltammetry (CV). The results of these three polymers indicated that thionation of the carbonyl was a highly effective methods to improve the properties of PhI-based polymers; and provided impetus for the development of thionated PhI derivatives for organic electronic applications.

  13. Organic bioelectronics for electronic-to-chemical translation in modulation of neuronal signaling and machine-to-brain interfacing.

    Science.gov (United States)

    Larsson, Karin C; Kjäll, Peter; Richter-Dahlfors, Agneta

    2013-09-01

    A major challenge when creating interfaces for the nervous system is to translate between the signal carriers of the nervous system (ions and neurotransmitters) and those of conventional electronics (electrons). Organic conjugated polymers represent a unique class of materials that utilizes both electrons and ions as charge carriers. Based on these materials, we have established a series of novel communication interfaces between electronic components and biological systems. The organic electronic ion pump (OEIP) presented in this review is made of the polymer-polyelectrolyte system poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). The OEIP translates electronic signals into electrophoretic migration of ions and neurotransmitters. We demonstrate how spatio-temporally controlled delivery of ions and neurotransmitters can be used to modulate intracellular Ca(2+) signaling in neuronal cells in the absence of convective disturbances. The electronic control of delivery enables strict control of dynamic parameters, such as amplitude and frequency of Ca(2+) responses, and can be used to generate temporal patterns mimicking naturally occurring Ca(2+) oscillations. To enable further control of the ionic signals we developed the electrophoretic chemical transistor, an analog of the traditional transistor used to amplify and/or switch electronic signals. Finally, we demonstrate the use of the OEIP in a new "machine-to-brain" interface by modulating brainstem responses in vivo. This review highlights the potential of communication interfaces based on conjugated polymers in generating complex, high-resolution, signal patterns to control cell physiology. We foresee widespread applications for these devices in biomedical research and in future medical devices within multiple therapeutic areas. This article is part of a Special Issue entitled Organic Bioelectronics-Novel Applications in Biomedicine. Copyright © 2012 Elsevier B.V. All rights reserved.

  14. Molecular modeling of interactions in electronic nose sensors for environmental monitoring

    Science.gov (United States)

    Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Yen, S. -P. S.; Zhou, H.; Manatt, K.

    2002-01-01

    We report a study aimed at understanding analyte interactions with sensors made from polymer-carbon black composite films. The sensors are used in an Electronic Nose (ENose) which is used for monitoring the breathing air quality in human habitats. The model mimics the experimental conditions of the composite film deposition and formation and was developed using molecular modeling and simulation tools. The Dreiding 2.21 Force Field was used for the polymer and analyte molecules while graphite parameters were assigned to the carbon black atoms. The polymer considered for this work is methyl vinyl ether / maleic acid copolymer. The target analytes include both inorganic (NH3) and organic (methanol) types of compound. Results indicate different composite-analyte interaction behavior.

  15. Photoinduced electron transfer from organic semiconductors onto redox mediators for CO2

    International Nuclear Information System (INIS)

    Portenkirchner, E.

    2014-01-01

    In this work the photoinduced electron transfer from organic semiconductors onto redox mediator catalysts for CO 2 reduction has been investigated. In the beginning, the work focuses on the identication, characterization and test of suitable catalyst materials. For this purpose, rhenium compounds with 2,2'-bipyridine bis(arylimino) acenaphthene ligands and pyridinium were tested for molecular homogenous catalysis. Infrared, ultraviolet-visible (UV-Vis) and nuclear magnetic resonance (NMR) spectroscopy were used for initial characterization of the catalyst substances. Since the interpretation of infrared spectra was difficult for large molecules based on measured data only, additionally infrared absorption spectra obtained by quantum mechanical density functional theory(DFT) calculations were successfully used to correlate characteristic features in the measured spectra to their molecular origin. It was found that experimentally observed data and quantum chemical predictions for the infrared spectra of the novel compounds are in good agreement. Additionally, quantum mechanical calculations were carried out for the determination of molecular orbital frontier energy levels and correlated to UV-Vis absorption and cyclic voltammetry measurements. Extensive cyclic voltammetry measurements and bulk controlled-potential electrolysis experiments were performed using a N 2 - and CO 2 -saturated electrolyte solution. Together with a detailed product analysis via infrared spectroscopy, gas and ion chromatography the results allowed electrochemical characterizations of the novel catalysts regarding their suitability for electrochemical CO 2 reduction. Once suitable catalysts were identied, the materials were immobilized on the electrode surface by electro-polymerization of the catalyst (5,5'bisphenylethynyl-2,2'-bipyridyl)Re(CO) 3 Cl itself or by incorporation of (2,2'-bipyridyl)Re(CO) 3 Cl into a polypyrrole matrix, thereby changing from homogeneous to

  16. Modeling secondary organic aerosol formation through cloud processing of organic compounds

    Directory of Open Access Journals (Sweden)

    J. Chen

    2007-10-01

    Full Text Available Interest in the potential formation of secondary organic aerosol (SOA through reactions of organic compounds in condensed aqueous phases is growing. In this study, the potential formation of SOA from irreversible aqueous-phase reactions of organic species in clouds was investigated. A new proposed aqueous-phase chemistry mechanism (AqChem is coupled with the existing gas-phase Caltech Atmospheric Chemistry Mechanism (CACM and the Model to Predict the Multiphase Partitioning of Organics (MPMPO that simulate SOA formation. AqChem treats irreversible organic reactions that lead mainly to the formation of carboxylic acids, which are usually less volatile than the corresponding aldehydic compounds. Zero-dimensional model simulations were performed for tropospheric conditions with clouds present for three consecutive hours per day. Zero-dimensional model simulations show that 48-h average SOA formation is increased by 27% for a rural scenario with strong monoterpene emissions and 7% for an urban scenario with strong emissions of aromatic compounds, respectively, when irreversible organic reactions in clouds are considered. AqChem was also incorporated into the Community Multiscale Air Quality Model (CMAQ version 4.4 with CACM/MPMPO and applied to a previously studied photochemical episode (3–4 August 2004 focusing on the eastern United States. The CMAQ study indicates that the maximum contribution of SOA formation from irreversible reactions of organics in clouds is 0.28 μg m−3 for 24-h average concentrations and 0.60 μg m−3 for one-hour average concentrations at certain locations. On average, domain-wide surface SOA predictions for the episode are increased by 9% when irreversible, in-cloud processing of organics is considered. Because aldehydes of carbon number greater than four are assumed to convert fully to the corresponding carboxylic acids upon reaction with OH in cloud droplets and this assumption may overestimate

  17. First principles based multiparadigm modeling of electronic structures and dynamics

    Science.gov (United States)

    Xiao, Hai

    enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly. A number of exotic structures have been formed through high pressure chemistry, but applications have been hindered by difficulties in recovering the high pressure phase to ambient conditions (i.e., one atmosphere and room temperature). Here we use dispersion-corrected DFT (PBE-ulg flavor) to predict that above 60 GPa the most stable form of N2O (the laughing gas in its molecular form) is a 1D polymer with an all-nitrogen backbone analogous to cis-polyacetylene in which alternate N are bonded (ionic covalent) to O. The analogous trans-polymer is only 0.03-0.10 eV/molecular unit less stable. Upon relaxation to ambient conditions both polymers relax below 14 GPa to the same stable non-planar trans-polymer, accompanied by possible electronic structure transitions. The predicted phonon spectrum and dissociation kinetics validate the stability of this trans-poly-NNO at ambient conditions, which has potential applications as a new type of conducting polymer with all-nitrogen chains and as a high-energy oxidizer for rocket propulsion. This work illustrates in silico materials discovery particularly in the realm of extreme conditions. Modeling non-adiabatic electron dynamics has been a long-standing challenge for computational chemistry and materials science, and the eFF method presents a cost-efficient alternative. However, due to the deficiency of FSG representation, eFF is limited to low-Z elements with

  18. Modeling Photovoltaic Module-Level Power Electronics in the System Advisor Model; NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2015-07-01

    Module-level power electronics, such as DC power optimizers, microinverters, and those found in AC modules, are increasing in popularity in smaller-scale photovoltaic (PV) systems as their prices continue to decline. Therefore, it is important to provide PV modelers with guidelines about how to model these distributed power electronics appropriately in PV modeling software. This paper extends the work completed at NREL that provided recommendations to model the performance of distributed power electronics in NREL’s popular PVWatts calculator [1], to provide similar guidelines for modeling these technologies in NREL's more complex System Advisor Model (SAM). Module-level power electronics - such as DC power optimizers, microinverters, and those found in AC modules-- are increasing in popularity in smaller-scale photovoltaic (PV) systems as their prices continue to decline. Therefore, it is important to provide PV modelers with guidelines about how to model these distributed power electronics appropriately in PV modeling software.

  19. Perylene diimide-based materials for organic electronics and optical limiting applications

    Science.gov (United States)

    Hoban, Matty J.

    This dissertation described the investigation of the synthesis and characterization of new perylene diimide (PDI)-based photonic and electronic materials. In the first part of this thesis, PDI-based polynorbornenes, including PDI-grafted homopolymers and block-copolymers (BCPs) were designed, synthesized and characterized as alternative acceptors for fullerene derivatives in organic solar cells. It was found that the PDI pendants on the polymer side-chains affect pi-pi stacking with the neighboring PDIs, which has implications for the use of these materials for organic field-effect transistors (OFETs) and organic photovoltaic devices (OPVs). It should also be noted that the performance of solar cell based on the PDI-grafted polynorbornenes was poor, like most other solar cells using PDI acceptors. One of the major reasons could be the challenge in controlling the molecular alignment of the PDI-based materials, which leads to much lower electron mobilities in films compared to devices with fullerene-based acceptors. One of the PDI-grafted BCPs showed much better OPV performance compared to the other BCPs and respective homepolymer blends, presumably due to favorable morphology. In the second part of this thesis, the photo-induced charge-separation in blends of poly-3-hexyl-thiophene (P3HT) and various PDI derivatives have also been studied. Probing of long-lived photo-generated PDI radical anions and P3HT polarons provided insight on these photo-induced processes, including the relationship between the yields of charge photo-generation and energy difference between the first singlet excited state of P3HT and final charge-separated states. In the third part of this thesis, the use of photo-generated PDI radical-anion absorption was shown to be effective for optical limiting of nanosecond laser pulses between 650--800 nm. In Chapter 5, an effective approach for two-photon absorption (2PA)-induced optical limiting using donor-PDI dyads through which donors and

  20. Modeling of secondary organic aerosol yields from laboratory chamber data

    Directory of Open Access Journals (Sweden)

    M. N. Chan

    2009-08-01

    Full Text Available Laboratory chamber data serve as the basis for constraining models of secondary organic aerosol (SOA formation. Current models fall into three categories: empirical two-product (Odum, product-specific, and volatility basis set. The product-specific and volatility basis set models are applied here to represent laboratory data on the ozonolysis of α-pinene under dry, dark, and low-NOx conditions in the presence of ammonium sulfate seed aerosol. Using five major identified products, the model is fit to the chamber data. From the optimal fitting, SOA oxygen-to-carbon (O/C and hydrogen-to-carbon (H/C ratios are modeled. The discrepancy between measured H/C ratios and those based on the oxidation products used in the model fitting suggests the potential importance of particle-phase reactions. Data fitting is also carried out using the volatility basis set, wherein oxidation products are parsed into volatility bins. The product-specific model is most likely hindered by lack of explicit inclusion of particle-phase accretion compounds. While prospects for identification of the majority of SOA products for major volatile organic compounds (VOCs classes remain promising, for the near future empirical product or volatility basis set models remain the approaches of choice.