WorldWideScience

Sample records for model organism electronic

  1. Quantitative model studies for interfaces in organic electronic devices

    Science.gov (United States)

    Gottfried, J. Michael

    2016-11-01

    In organic light-emitting diodes and similar devices, organic semiconductors are typically contacted by metal electrodes. Because the resulting metal/organic interfaces have a large impact on the performance of these devices, their quantitative understanding is indispensable for the further rational development of organic electronics. A study by Kröger et al (2016 New J. Phys. 18 113022) of an important single-crystal based model interface provides detailed insight into its geometric and electronic structure and delivers valuable benchmark data for computational studies. In view of the differences between typical surface-science model systems and real devices, a ‘materials gap’ is identified that needs to be addressed by future research to make the knowledge obtained from fundamental studies even more beneficial for real-world applications.

  2. Multiscale modelling of charge transport in organic electronic materials

    Science.gov (United States)

    Nelson, Jenny

    2010-03-01

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

  3. 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.

  4. Electron spin and the origin of Bio-homochirality II. Prebiotic inorganic-organic reaction model

    CERN Document Server

    Wang, Wei

    2014-01-01

    The emergence of biomolecular homochirality is a critically important question about life phenomenon and the origins of life. In a previous paper (arXiv:1309.1229), I tentatively put forward a new hypothesis that the emergence of a single chiral form of biomolecules in living organisms is specifically determined by the electron spin state during their enzyme-catalyzed synthesis processes. However, how a homochirality world of biomolecules could have formed in the absence of enzymatic networks before the origins of life remains unanswered. Here I discussed the electron spin properties in Fe3S4, ZnS, and transition metal doped dilute magnetic ZnS, and their possible roles in the prebiotic synthesis of chiral molecules. Since the existence of these minerals in hydrothermal vent systems is matter of fact, the suggested prebiotic inorganic-organic reaction model, if can be experimentally demonstrated, may help explain where and how life originated on early Earth.

  5. Beyond frontier molecular orbital theory: a systematic electron transfer model (ETM) for polar bimolecular organic reactions.

    Science.gov (United States)

    Cahill, Katharine J; Johnson, Richard P

    2013-03-01

    Polar bimolecular reactions often begin as charge-transfer complexes and may proceed with a high degree of electron transfer character. Frontier molecular orbital (FMO) theory is predicated in part on this concept. We have developed an electron transfer model (ETM) in which we systematically transfer one electron between reactants and then use density functional methods to model the resultant radical or radical ion intermediates. Sites of higher reactivity are revealed by a composite spin density map (SDM) of odd electron character on the electron density surface, assuming that a new two-electron bond would occur preferentially at these sites. ETM correctly predicts regio- and stereoselectivity for a broad array of reactions, including Diels-Alder, dipolar and ketene cycloadditions, Birch reduction, many types of nucleophilic additions, and electrophilic addition to aromatic rings and polyenes. Conformational analysis of radical ions is often necessary to predict reaction stereochemistry. The electronic and geometric changes due to one-electron oxidation or reduction parallel the reaction coordinate for electrophilic or nucleophilic addition, respectively. The effect is more dramatic for one-electron reduction.

  6. Electron transporting semiconducting polymers in organic electronics.

    Science.gov (United States)

    Zhao, Xingang; Zhan, Xiaowei

    2011-07-01

    Significant progress has been achieved in the preparation of semiconducting polymers over the past two decades, and successful commercial devices based on them are slowly beginning to enter the market. However, most of the conjugated polymers are hole transporting, or p-type, semiconductors that have seen a dramatic rise in performance over the last decade. Much less attention has been devoted to electron transporting, or n-type, materials that have lagged behind their p-type counterparts. Organic electron transporting materials are essential for the fabrication of organic p-n junctions, organic photovoltaic cells (OPVs), n-channel organic field-effect transistors (OFETs), organic light-emitting diodes (OLEDs) and complementary logic circuits. In this critical review we focus upon recent developments in several classes of electron transporting semiconducting polymers used in OLEDs, OFETs and OPVs, and survey and analyze what is currently known concerning electron transporting semiconductor architecture, electronic structure, and device performance relationships (87 references).

  7. Organophosphorus Compounds in Organic Electronics.

    Science.gov (United States)

    Shameem, Muhammad Anwar; Orthaber, Andreas

    2016-07-25

    This Minireview describes recent advances of organophosphorus compounds as opto-electronic materials in the field of organic electronics. The progress of (hetero-) phospholes, unsaturated phosphanes, and trivalent and pentavalent phosphanes since 2010 is covered. The described applications of organophosphorus materials range from single molecule sensors, field effect transistors, organic light emitting diodes, to polymeric materials for organic photovoltaic applications.

  8. 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.

  9. Exact Solution of an Extended Hubbard Model with Electron-Lattice Interaction for an Organic Ferromagnetic Polymer

    Institute of Scientific and Technical Information of China (English)

    王为忠; 姚凯伦

    2002-01-01

    Using an exact diagonalization method, we study an extended Hubbard model with an electron-lattice interaction for an organic ferromagnetic chain with radical coupling. The result shows that the ferromagnetic ground state originates from the antiferromagnetic correlation between adjoining sites, which is enhanced by the on-site e-e repulsion. The intersite e-e repulsion induces the inhomogeneous distribution of the charge density. The dimerization is decreased by the e-e interaction and the radical coupling. The electron--lattice interaction and the radical coupling can transfer the spin density and charge density between the main chain and the radicals.

  10. Organic materials for printed electronics.

    Science.gov (United States)

    Berggren, M; Nilsson, D; Robinson, N D

    2007-01-01

    Organic materials can offer a low-cost alternative for printed electronics and flexible displays. However, research in these systems must exploit the differences - via molecular-level control of functionality - compared with inorganic electronics if they are to become commercially viable.

  11. The performance of organic electronic ratchets

    Directory of Open Access Journals (Sweden)

    Erik M. Roeling

    2012-03-01

    Full Text Available Organic electronic ratchets rectify time-correlated external driving forces, giving output powers that can drive electronic circuitry. In this work their performance characteristics are investigated using numerical modeling and measurements. It is shown how the characteristic parameters of the time–varying asymmetric potential like length scales and amplitude, as well as the density and mobility of the charge carriers in the device influence the performance characteristics. Various ratchet efficiencies and their relations are discussed. With all settings close to optimum, a ratchet with charge displacement and power efficiencies close to 50% and 7% respectively is obtained.

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

    NARCIS (Netherlands)

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

    1999-01-01

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

  13. Design and syntheses of electron-transfer photochromic metal-organic complexes using nonphotochromic ligands: a model compound and the roles of its ligands.

    Science.gov (United States)

    Zhang, Cui-Juan; Chen, Zi-Wei; Lin, Rong-Guang; Zhang, Ming-Jian; Li, Pei-Xin; Wang, Ming-Sheng; Guo, Guo-Cong

    2014-01-21

    The model compound [Zn(HCOO)2(4,4'-bipy)] (1; 4,4'-bipy = 4,4'-bipyridine) is selected in this work to demonstrate the effectiveness of our previously proposed design strategy for electron-transfer photochromic metal-organic complexes. The electron-transfer photochromic behavior of 1 has been discovered for the first time. Experimental and theoretical data illustrate that the photochromism of 1 can be attributed to the electron transfer from formato to 4,4'-bipy and the formation of a radical photoproduct. The electron transfer prefers to occur between formato and 4,4'-bipy, which are combined directly by the Zn(II) atoms. A high-contrast (up to 8.3 times) photoluminescence switch occurs during the photochromic process. The similarity of photochromic behaviors among 1 and its analogues as well as viologen compounds has also been found. Photochromic studies of this model compound indicate that new electron-transfer photochromic metal-organic complexes can be largely designed and synthesized by the rational assembly of nonphotochromic electron-donating and electron-accepting ligands.

  14. Recent development of organic electron transport materials

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    This article reviews the recent development of organic electron transport materials applied in the fields of organic photoconductors, light-emitting diodes, field-effect transistors and solar cells. Several technologies for charge carrier mobility measurement are summarized and compared, and a series of basic principles for designing high-performance organic electron transport materials are suggested as well.

  15. 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.

  16. The Organization of Multimedia Information in Electronic Map

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    On the basis of an electronic map-based hypermedia data model (EMBHDM),this paper makes a study on the technologies of nonlinear storage,organization,management and browsing of information as well as organization of data on the basis of the relationship between multimedia information of electronic maps.

  17. Probing Molecular Organization and Electronic Dynamics at Buried Organic Interfaces

    Science.gov (United States)

    Roberts, Sean

    2015-03-01

    Organic semiconductors are a promising class of materials due to their ability to meld the charge transport capabilities of semiconductors with many of the processing advantages of plastics. In thin film organic devices, interfacial charge transfer often comprises a crucial step in device operation. As molecular materials, the density of states within organic semiconductors often reflect their intermolecular organization. Truncation of the bulk structure of an organic semiconductor at an interface with another material can lead to substantial changes in the density of states near the interface that can significantly impact rates for interfacial charge and energy transfer. Here, we will present the results of experiments that utilize electronic sum frequency generation (ESFG) to probe buried interfaces in these materials. Within the electric dipole approximation, ESFG is only sensitive to regions of a sample that experience a breakage of symmetry, which occurs naturally at material interfaces. Through modeling of signals measured for thin organic films using a transfer matrix-based formalism, signals from buried interfaces between two materials can be isolated and used to uncover the interfacial density of states.

  18. Phosphorus-containing materials for organic electronics.

    Science.gov (United States)

    Stolar, Monika; Baumgartner, Thomas

    2014-05-01

    Phosphorus-based materials have received widespread attention in recent years, in particular as possible candidates for practical application in organic electronics. The geometry and electronic nature of phosphorus make it a favorable heteroatom for property tuning in order to obtain better performing organic electronics. This Focus Review discusses recent structural modifications and syntheses of phosphorus-based materials, illustrates property tuning at the same time, and highlights specific examples for device applications.

  19. 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.

  20. Organic and polymer transistors for electronics

    Directory of Open Access Journals (Sweden)

    Ananth Dodabalapur

    2006-04-01

    Full Text Available Some of the major application areas for organic and polymeric transistors are reviewed. Organic complementary devices are promising on account of their lower power dissipation and ease of circuit design. The first organic large-scale integrated circuits have been implemented with this circuit approach. Organic transistor backplanes are ideally suited for electronic paper applications and other display schemes. Low-cost and other processing advantages, as well as improving performance, have led to organic-based radio frequency identification tag development. The chemical interaction between various organic and polymer semiconductors can be exploited in chemical and biological sensors based upon organic transistors.

  1. 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.

  2. Organic and polymer transistors for electronics

    OpenAIRE

    Ananth Dodabalapur

    2006-01-01

    Some of the major application areas for organic and polymeric transistors are reviewed. Organic complementary devices are promising on account of their lower power dissipation and ease of circuit design. The first organic large-scale integrated circuits have been implemented with this circuit approach. Organic transistor backplanes are ideally suited for electronic paper applications and other display schemes. Low-cost and other processing advantages, as well as improving performance, have le...

  3. 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

  4. 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

  5. Electronic properties of organic/metal interfaces

    CERN Document Server

    Koch, N

    2000-01-01

    Conjugated organic materials are the promising class of materials for the application in new electronic and opto-electronic devices. The successful realization of highly efficient organic light emitting devices with oligomers and polymers as active electroluminescent layers has lead to a large number of investigations on such systems, the key point being to find means of increasing efficiency and performance of the devices. Intrinsically present in light emitting devices are interfaces, and it appears that the structural and electronic properties of those are of uttermost importance for the device quality. In the present work, ultraviolet and X-ray photoelectron spectroscopy, plus related surface sensitive experimental methods, were used to investigate the electronic properties of interfaces between conjugated organic materials (based on para-phenylene) and various metals. The observed interactions between the two different kinds of materials ranged from physisorption (aluminum and samarium), to the formation...

  6. Self-assembled gelators for organic electronics.

    Science.gov (United States)

    Babu, Sukumaran Santhosh; Prasanthkumar, Seelam; Ajayaghosh, Ayyappanpillai

    2012-02-20

    Nature excels at engineering materials by using the principles of chemical synthesis and molecular self-assembly with the help of noncovalent forces. Learning from these phenomena, scientists have been able to create a variety of self-assembled artificial materials of different size, shapes, and properties for wide ranging applications. An area of great interest in this regard is solvent-assisted gel formation with functional organic molecules, thus leading to one-dimensional fibers. Such fibers have improved electronic properties and are potential soft materials for organic electronic devices, particularly in bulk heterojunction solar cells. Described herein is how molecular self-assembly, which was originally proposed as a simple laboratory curiosity, has helped the evolution of a variety of soft functional materials useful for advanced electronic devices such as organic field-effect transistors and organic solar cells. Highlights on some of the recent developments are discussed.

  7. Organic electron donors as powerful single-electron reducing agents in organic synthesis.

    Science.gov (United States)

    Broggi, Julie; Terme, Thierry; Vanelle, Patrice

    2014-01-07

    One-electron reduction is commonly used in organic chemistry for the formation of radicals by the stepwise transfer of one or two electrons from a donor to an organic substrate. Besides metallic reagents, single-electron reducers based on neutral organic molecules have emerged as an attractive novel source of reducing electrons. The past 20 years have seen the blossoming of a particular class of organic reducing agents, the electron-rich olefins, and their application in organic synthesis. This Review gives an overview of the different types of organic donors and their specific characteristics in organic transformations. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Conjugated Polymers for Organic Electronics: Structural and Electronic Characteristics

    OpenAIRE

    Rafael C. González-Cano; López Navarrete, Juan T.; Ruiz Delgado, M. Carmen

    2016-01-01

    The use of organic materials to design electronic devices has actually presented a broad interest for because they constitute an ecological and suitable resource for our current "electronic world". These materials provide several advantages (low cost, light weight, good flexibility and solubility to be easily printed) that cannot be afforded with silicium. They can also potentially interact with biological systems, something impossible with inorganic devices. Between these materials we can in...

  9. 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.

  10. Organizing electronic services into security taxonomies - revised

    Energy Technology Data Exchange (ETDEWEB)

    Smith, S.W. [IBM T.J. Watson Research Center, Yorktown Heights, NY (United States); Pedersen, P.S. [Los Alamos National Lab., NM (United States)

    1997-01-01

    With increasing numbers of commercial and government services being considered for electronic delivery, effective vulnerability analysis will become increasingly critical, Organizing sets of proposed electronic services into security taxonomies will be a key part of this work. However, brute force enumeration of services and risks is inefficient, and ad hoc methods require re-invention with each new set of services. Furthermore, both such approaches fail to communicate effectively the tradeoffs between vulnerabilities and features in a set of electronic services, and fail to scale to large sets of service. From our experience advising players considering electronic delivery, we have developed a general, systematic, and scalable methodology that addresses these concerns. In this paper, we present this methodology, and apply it to the example of electronic services offered via kiosks (since kiosk systems are representative of a wide range of security issues in electronic commerce).

  11. 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.

  12. 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.

  13. 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 ar

  14. Organic ferroelectric opto-electronic memories

    Directory of Open Access Journals (Sweden)

    Kamal Asadi

    2011-12-01

    Full Text Available 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 area with a focus on the most promising opto-electronic device concept, i.e., bistable rectifying diodes. The integration of these diodes into larger memory arrays is discussed. Through a clever design of the electrodes we demonstrate light emitting diodes with integrated built-in switches that can be applied in signage applications.

  15. 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...

  16. 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

  17. First-Principles Calculations of Electron Transfer in Organic Molecules

    Science.gov (United States)

    Pati, Ranjit; Karna, Shashi P.

    2000-03-01

    Suitably tailored organic structures are considered potential candidates as components in molecular electronic devices. A common molecular architecture for electronics consists of an electron donor (D) and an electron acceptor (A) moiety bonded together by a chemically inert bridging moiety, called spacer (S). The D-S-A combination constitutes the basic component equivalent of a solid state capacitor. A useful physical property that determines the applicability of molecular structures in moletronics is the electron transfer (ET) rate, which is related, in a two-state approximation, to the coupling matrix between the two electronic states representing the localization of electrons. In an effort to model potential organic structures, we have calculated the ET coupling matrix elements in a number of D-, S-, and A-type organic molecules with the use of ab initio Hartree-Fock method and two different basis sets, namely an STO-3G and a double zeta plus polarization (DZP). A number of important findings have emerged from this study: (i) The ET coupling matrix strongly depends upon the geometrical arrangement of the molecular fragment(s) in the architecture. (ii) In an oligomeric chain, the ET matrix decreases exponentially with molecular length (number of monomer units). (iii) In cyclic alkanes, the magnitude of the ET coupling matrix decreases with increasing size of fused rings.

  18. Applications of laser printing for organic electronics

    Science.gov (United States)

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

    2013-03-01

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

  19. 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

  20. Electron-Vibron Coupling at Metal-Organic Interfaces

    CERN Document Server

    Rosenow, Phil; Tonner, Ralf

    2015-01-01

    We study the significance and characteristics of interfacial dynamical charge transfer at metal-organic interfaces for the model system of organic semiconductor NTCDA on Ag(111). We combine infrared absorption spectroscopy and dispersion-corrected density functional theory calculations to analyze dynamic dipole moments and electron-vibron coupling at the interface. We demonstrate that interfacial dynamical charge transfer is the dominant cause of infrared activity in these systems and that it correlates with results from partial charge and density of states analysis. Nuclear motion generates an additional dynamic dipole moment but represents a minor effect except for modes with significant out-of-plane amplitudes.

  1. 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 fi

  2. 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.

  3. Islamic electronic trading platform on organized exchange

    Directory of Open Access Journals (Sweden)

    Ahmet Suayb Gundogdu

    2016-12-01

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

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

    Institute of Scientific and Technical Information of China (English)

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

    2006-01-01

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

  5. 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…

  6. 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...

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

    DEFF Research Database (Denmark)

    Malti, Abdellah; Edberg, Jesper; Granberg, Hjalmar

    2016-01-01

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

  8. Electron transfer through rigid organic molecular wires enhanced by electronic and electron-vibration coupling.

    Science.gov (United States)

    Sukegawa, Junpei; Schubert, Christina; Zhu, Xiaozhang; Tsuji, Hayato; Guldi, Dirk M; Nakamura, Eiichi

    2014-10-01

    Electron transfer (ET) is a fundamental process in a wide range of biological systems, photovoltaics and molecular electronics. Therefore to understand the relationship between molecular structure and ET properties is of prime importance. For this purpose, photoinduced ET has been studied extensively using donor-bridge-acceptor molecules, in which π-conjugated molecular wires are employed as bridges. Here, we demonstrate that carbon-bridged oligo-p-phenylenevinylene (COPV), which is both rigid and flat, shows an 840-fold increase in the ET rate compared with the equivalent flexible molecular bridges. A 120-fold rate enhancement is explained in terms of enhanced electronic coupling between the electron donor and the electron acceptor because of effective conjugation through the COPVs. The remainder of the rate enhancement is explained by inelastic electron tunnelling through COPV caused by electron-vibration coupling, unprecedented for organic molecular wires in solution at room temperature. This type of nonlinear effect demonstrates the versatility and potential practical utility of COPVs in molecular device applications.

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

    Science.gov (United States)

    Malti, Abdellah; Edberg, Jesper; Granberg, Hjalmar; Khan, Zia Ullah; Andreasen, Jens W; Liu, Xianjie; Zhao, Dan; Zhang, Hao; Yao, Yulong; Brill, Joseph W; Engquist, Isak; Fahlman, Mats; Wågberg, Lars; Crispin, Xavier; Berggren, Magnus

    2016-02-01

    A mixed ionic-electronic conductor based on nanofibrillated cellulose composited with poly(3,4-ethylene-dioxythio-phene):-poly(styrene-sulfonate) along with high boiling point solvents is demonstrated in bulky electrochemical devices. The high electronic and ionic conductivities of the resulting nanopaper are exploited in devices which exhibit record values for the charge storage capacitance (1F) in supercapacitors and transconductance (1S) in electrochemical transistors.

  10. 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

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. Teaching biology with model organisms

    Science.gov (United States)

    Keeley, Dolores A.

    The purpose of this study is to identify and use model organisms that represent each of the kingdoms biologists use to classify organisms, while experiencing the process of science through guided inquiry. The model organisms will be the basis for studying the four high school life science core ideas as identified by the Next Generation Science Standards (NGSS): LS1-From molecules to organisms, LS2-Ecosystems, LS3- Heredity, and LS4- Biological Evolution. NGSS also have identified four categories of science and engineering practices which include developing and using models and planning and carrying out investigations. The living organisms will be utilized to increase student interest and knowledge within the discipline of Biology. Pre-test and posttest analysis utilizing student t-test analysis supported the hypothesis. This study shows increased student learning as a result of using living organisms as models for classification and working in an inquiry-based learning environment.

  16. Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion

    Science.gov (United States)

    Mayer, G. V.; Plotnikov, V. G.; Artyukhov, V. Ya.

    2016-08-01

    Models of quantum-chemical calculation of rate constants for internal processes and intersystem crossing in polyatomic molecules are considered. The influence of the nature of electronically excited states in organic compounds is investigated. It is shown that the explicit allowance for the nature of wave functions of electronic states for estimation of electronic matrix elements of nonadiabaticity operators and spin-orbit interaction allows photophysical processes in organic compounds to be considered in detail.

  17. Functional organic materials for electronics industries

    Science.gov (United States)

    Shibayama, K.; Ono, H.

    1982-01-01

    Topics closely related with organic, high molecular weight material synthesis are discussed. These are related to applications such as display, recording, sensors, semiconductors, and I.C. correlation. New materials are also discussed. General principles of individual application are not included. Materials discussed include color, electrochromic, thermal recording, organic photoconductors for electrophotography, and photochromic materials.

  18. 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 w

  19. In plane optical sensor based on organic electronic devices

    NARCIS (Netherlands)

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

    2008-01-01

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

  20. 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.

  1. Organic electronics II more materials and applications

    CERN Document Server

    Klauk, Hagen

    2012-01-01

    Like its predecessor this book is devoted to the materials, manufacturing and applications aspects of organic thin-film transistors. Onceagain authored by the most renowned experts from this fascinating and fast-moving area of research, it offers a joint perspective bothbroad and in-depth on the latest developments in the areas of materials chemistry, transport physics, materials characterization, manufacturing technology, and circuit integration of organic transistors. With its many figures and detailed index, this book once again also serves as a ready reference.

  2. Organic Based Flexible Transistors and Electronic Device

    Science.gov (United States)

    2005-05-01

    and perfluoroalkylcarbonyl-substituted polythiophenes . The synthetic goal is to develop efficient routes to new regioregular n-type conducting ...Solution-processable n-type semiconductors "• Synthesized new polythiophenes "• Fully characterized new materials "* TFT fabrication, evaluation...injection of electrons though a p-n tunnel junction with a conductive polymer PEDOT as the source and drain contact. This approach ý’ielded the highest

  3. 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

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

    NARCIS (Netherlands)

    de Veen, P.J.

    2011-01-01

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

  5. Whole organic electronic synapses for dopamine detection

    Science.gov (United States)

    Giordani, Martina; Di Lauro, Michele; Berto, Marcello; Bortolotti, Carlo A.; Vuillaume, Dominique; Gomes, Henrique L.; Zoli, Michele; Biscarini, Fabio

    2016-09-01

    A whole organic artificial synapse has been fabricated by patterning PEDOT:PSS electrodes on PDMS that are biased in frequency to yield a STP response. The timescale of the STP response is shown to be sensitive to the concentration of dopamine, DA, a neurotransmitter relevant for monitoring the development of Parkinson's disease and potential locoregional therapies. The sensitivity of the sensor towards DA has been validated comparing signal variation in the presence of DA and its principal interfering agent, ascorbic acid, AA. The whole organic synapse is biocompatible, soft and flexible, and is attractive for implantable devices aimed to real-time monitoring of DA concentration in bodily fluids. This may open applications in chronic neurodegenerative diseases such as Parkinson's disease.

  6. Electron-plasmon model in the electron liquid theory

    Directory of Open Access Journals (Sweden)

    M.V.Vavrukh

    2005-01-01

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

  7. 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.

  8. Supramolecular Soft Matter Applications in Materials and Organic Electronics

    CERN Document Server

    Nakanishi, Takashi

    2011-01-01

    The pivotal text that bridges the gap between fundamentals and applications of soft matter in organic electronics Covering an expanding and highly coveted subject area, Supramolecular Soft Matter enlists the services of leading researchers to help readers understand and manipulate the electronic properties of supramolecular soft materials for use in organic opto-electronic devices, such as photovoltaics and field effect transistors, some of the most desired materials for energy conservation. Rather than offering a compilation of current trends in supramolecular soft matter, this book bridges

  9. 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.

  10. 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.

  11. SURVIVAL DEPTH OF ORGANICS IN ICES UNDER LOW-ENERGY ELECTRON RADIATION ({<=}2 keV)

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, Irene Li; Lignell, Antti; Gudipati, Murthy S., E-mail: gudipati@jpl.nasa.gov [Jet Propulsion Laboratory, California Institute of Technology, Mail Stop 183-301, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States)

    2012-03-01

    Icy surfaces in our solar system are continually modified and sputtered with electrons, ions, and photons from solar wind, cosmic rays, and local magnetospheres in the cases of Jovian and Saturnian satellites. In addition to their prevalence, electrons specifically are expected to be a principal radiolytic agent on these satellites. Among energetic particles (electrons and ions), electrons penetrate by far the deepest into the ice and could cause damage to organic material of possible prebiotic and even biological importance. To determine if organic matter could survive and be detected through remote sensing or in situ explorations on these surfaces, such as water ice-rich Europa, it is important to obtain accurate data quantifying electron-induced chemistry and damage depths of organics at varying incident electron energies. Experiments reported here address the quantification issue at lower electron energies (100 eV-2 keV) through rigorous laboratory data analysis obtained using a novel methodology. A polycyclic aromatic hydrocarbon molecule, pyrene, embedded in amorphous water ice films of controlled thicknesses served as an organic probe. UV-VIS spectroscopic measurements enabled quantitative assessment of organic matter survival depths in water ice. Eight ices of various thicknesses were studied to determine damage depths more accurately. The electron damage depths were found to be linear, approximately 110 nm keV{sup -1}, in the tested range which is noticeably higher than predictions by Monte Carlo simulations by up to 100%. We conclude that computational simulations underestimate electron damage depths in the energy region {<=}2 keV. If this trend holds at higher electron energies as well, present models utilizing radiation-induced organic chemistry in icy solar system bodies need to be revisited. For interstellar ices of a few micron thicknesses, we conclude that low-energy electrons generated through photoionization processes in the interstellar medium

  12. 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.

  13. 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.

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

    Science.gov (United States)

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

    2016-09-01

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

  15. 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.

  16. 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

  17. 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.

  18. Theoretical description of structural and electronic properties of organic photovoltaic materials.

    Science.gov (United States)

    Zhugayevych, Andriy; Tretiak, Sergei

    2015-04-01

    We review recent progress in the modeling of organic solar cells and photovoltaic materials, as well as discuss the underlying theoretical methods with an emphasis on dynamical electronic processes occurring in organic semiconductors. The key feature of the latter is a strong electron-phonon interaction, making the evolution of electronic and structural degrees of freedom inseparable. We discuss commonly used approaches for first-principles modeling of this evolution, focusing on a multiscale framework based on the Holstein-Peierls Hamiltonian solved via polaron transformation. A challenge for both theoretical and experimental investigations of organic solar cells is the complex multiscale morphology of these devices. Nevertheless, predictive modeling of photovoltaic materials and devices is attainable and is rapidly developing, as reviewed here.

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

    NARCIS (Netherlands)

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

    2011-01-01

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

  20. Poly(3-hexylthiophene) nanostructured materials for organic electronics applications.

    Science.gov (United States)

    Bhatt, M P; Magurudeniya, H D; Rainbolt, E A; Huang, P; Dissanayake, D S; Biewer, M C; Stefan, M C

    2014-02-01

    Semiconducting polymers have been developed during the last few decades and are currently used in various organic electronics applications. Regioregular poly(3-hexylthiophene) (P3HT) is the most employed semiconducting polymer for organic electronics applications. The development of living Grignard metathesis polymerization (GRIM) allowed the synthesis of P3HT with well-defined molecular weights and functional end groups. A large number of block copolymers containing P3HT have been reported, and their opto-electronic properties have been investigated. The performance of P3HT homopolymer and block copolymers in field-effect transistors and bulk heterojunction solar cells are discussed in this review. The morphology of the P3HT materials is also discussed.

  1. 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

  2. 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.

  3. Spin Entangling Effects of Electron and Nucleus on Hopping Transfer in Organic Semiconductors

    Science.gov (United States)

    Zhao, Jun-Qing; Sun, Ling-Ling; Wang, Ting

    2016-05-01

    To study the spin entangling effects on organic magneto-resistance in organic semiconductors, we focused on the entanglement-related hopping transfer of electrons on the basis of the Miller-Abrahams hopping rate. Considering spin entanglement of localized electron with the nucleus in the hopping process, we deduced an attempt hopping rate of electrons as a function of the applied magnetic field and the localized hyperfine interaction, and thus established a model to calculate the organic magneto-resistance. The calculated results show that the magneto-resistance has a maximum in the lower magnetic field, and the corresponding magnetic field Bmax increases with the hyperfine interaction. In the higher magnetic field, the magneto-resistance tends to a negative saturation value. This analysis will be an valuable reference for deep understanding of the organic magneto-resistance.

  4. Structural and electronic implications for carrier injection into organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Castellani, Mauro [Universitaet Potsdam, Institut fuer Physik und Astronomie, Potsdam-Golm (Germany); Salzmann, Ingo; Yu, Shuwen; Koch, Norbert [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Bugnon, Philippe [Ecole Polytechnique Federale de Lausanne (Switzerland). Institut des Materiaux; Oehzelt, Martin [Johannes Kepler Universitaet Linz (Austria). Institut fuer Experimentalphysik

    2009-10-15

    We report on the structural and electronic interface formation between ITO (indium-tin-oxide) and prototypical organic small molecular semiconductors, i.e., CuPc (copper phthalocyanine) and {alpha}-NPD (N,N'-di(naphtalen-1-yl)-N,N'-diphenyl-benzidine). In particular, the effects of in situ oxygen plasma pretreatment of the ITO surface on interface properties are examined in detail: Organic layer-thickness dependent Kelvin probe measurements revealed a good alignment of the ITO work function and the highest occupied electronic level of the organic material in all samples. In contrast, the electrical properties of hole-only and bipolar organic diodes depend strongly on the treatment of ITO prior to organic deposition. This dependence is more pronounced for diodes made of polycrystalline CuPc than for those of amorphous {alpha}-NPD layers. X-ray diffraction and atomic force microscopic (AFM) investigations of CuPc nucleation and growth evidenced a more pronounced texture of the polycrystalline film structure on the ITO substrate that was oxygen plasma treated prior to organic layer deposition. These findings suggest that the anisotropic electrical properties of CuPc crystallites, and their orientation with respect to the substrate, strongly affect the charge carrier injection and transport properties at the anode interface. (orig.)

  5. Research on Self-organizing Model of Electric Invalidation of Electronic Connector Under Fretting Wear%微动磨损下微连接电传导失效自组织模型研究

    Institute of Scientific and Technical Information of China (English)

    王安麟; 蒋涛; 傅英超; 胡亮

    2009-01-01

    以解释汽车电子连接器微动磨损的失效机理,实现微小汽车电子连接器结构形态的再设计为目的,针对汽车电子连接器在微动磨损下出现的机械、化学、连续体、非连续体的失效过程,提出微动磨损下电子连接器接触电传导失效的自组织模型.即在元胞自动机的自组织时空机制下,以其微动磨损的失效实验数据为依据,构成在氧化层生成、元胞移动、电阻计算等局部自组织规则驱动下,以及微动磨损条件下,微连接器电传导接触电阻的自组织演化仿真.自组织模型解析结果与试验结果高度相关,证明自组织方法对解决微连接电传导失效等复杂动力学问题是灵活和有效的.%To explain the principium of electric invalidation for redesigning of the electronic connector,the Cellular-Automata model based on the theory of self-organizing method was proposed. The model consisted of oxidation local rules,cells displacement local rules,resistance calculate local rules. The self-organizing rules drived the model to perform the evolvement of the electric invalidation of electronic connectors by time. The evolvement shows a high correlation to the experiment data. The estimate work shows that self-organizing method is effctual and flexibal in studying complex dynamic problems such as electric invalidation of electoric connectors.

  6. Rotational nuclear models and electron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Moya de Guerra, E.

    1986-05-01

    A review is made of the basic formalism involved in the application of nuclear rotational models to the problem of electron scattering from axially symmetric deformed nuclei. Emphasis is made on the use of electron scattering to extract information on the nature of the collective rotational model. In this respect, the interest of using polarized beam and target is discussed with the help of illustrative examples. Concerning the nuclear structure four rotational models are considered: Two microscopic models, namely the Projected Hartree-Fock (PHF) and cranking models; and two collective models, the rigid rotor and the irrotational flow models. The problem of current conservation within the different models is also discussed.

  7. 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.

  8. 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.

  9. Calcium chloride electron injection/extraction layers in organic electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Bo, E-mail: bqu@pku.edu.cn, E-mail: qhgong@pku.edu.cn; Gao, Zhi; Yang, Hongsheng; Xiao, Lixin; Chen, Zhijian; Gong, Qihuang, E-mail: bqu@pku.edu.cn, E-mail: qhgong@pku.edu.cn [State Key Laboratory for Artificial Microstructures and Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)

    2014-01-27

    Nontoxic calcium chloride (CaCl{sub 2}) was introduced into organic electronic devices as cathode buffer layer (CBL). The turn-on voltage and maximum luminance of organic light-emitting diode (OLED) with 1.5 nm CaCl{sub 2} was 3.5 V and 21 960 cd/m{sup 2}, respectively. OLED with 1.5 nm CaCl{sub 2} possessed comparable electroluminescent characteristics to that of the commonly used LiF. Moreover, the performance of the organic photovoltaic device with 0.5 nm CaCl{sub 2} was comparable to that of the control device with LiF. Therefore, CaCl{sub 2} has the potential to be used as the CBL for organic electronic devices.

  10. Peculiarities of designing Holistic Electronic Government Services Integration Model

    Directory of Open Access Journals (Sweden)

    Tadas Limba

    2011-12-01

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

  11. Electronic properties of organic monolayers and molecular devices

    Indian Academy of Sciences (India)

    D Vuillaume; S Lenfant; D Guerin; C Delerue; C Petit; G Salace

    2006-07-01

    We review some of our recent experimental results on charge transport in organic nanostructures such as self-assembled monolayer and monolayers of organic semiconductors. We describe a molecular rectifying junction made from a sequential self-assembly on silicon. These devices exhibit a marked current–voltage rectification behavior due to resonant transport between the Si conduction band and the molecule highest occupied molecular orbital of the molecule. We discuss the role of metal Fermi level pinning in the current–voltage behavior of these molecular junctions. We also discuss some recent insights on the inelastic electron tunneling behavior of Si/alkyl chain/metal junctions.

  12. Electrodes mitigating effects of defects in organic electronic devices

    Science.gov (United States)

    Heller, Christian Maria Anton

    2008-05-06

    A compound electrode for organic electronic devices comprises a thin first layer of a first electrically conducting material and a second electrically conducting material disposed on the first layer. In one embodiment, the second electrically conducting material is formed into a plurality of elongated members. In another embodiment, the second material is formed into a second layer. The elongated members or the second layer has a thickness greater than that of the first layer. The second layer is separated from the first layer by a conducting material having conductivity less than at least the material of the first layer. The compound electrode is capable of mitigating adverse effects of defects, such as short circuits, in the construction of the organic electronic devices, and can be included in light-emitting or photovoltaic devices.

  13. Special Issue on Organic Electronic Bio-Devices

    Directory of Open Access Journals (Sweden)

    Luisa Torsi

    2013-02-01

    Full Text Available 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.

  14. 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.

  15. Polymeric and Molecular Materials for Advanced Organic Electronics

    Science.gov (United States)

    2014-10-20

    organics, sorted carbon nanotubes, single-layer graphene , metal oxide films (both polycrystalline and amorphous) and nanowires, silicon nanomembranes...Dramatic performance differences in transfer plots of IGZO/ SiO2 vs. IGZO/Hf-SAND TFTs. Inset: iPad-type device with IGZO electronics driving the...fabricating IGZO TFTs. In recent work at Northwestern, IGZO TFTs were fabricated by inkjet with a variety of gate dielectrics including SiO2 , HfO2 grown

  16. Pressure Dependent Electronic Properties of Organic Semiconductors from First Principles

    Science.gov (United States)

    Knuth, Franz; Carbogno, Christian; Blum, Volker; Scheffler, Matthias

    2015-03-01

    The electronic properties of organic semiconductors typically exhibit a significant dependence on the strain, stress, and pressure. In this contribution, we present the theoretical background, assessment of approximations, and results of electronic and transport properties in the framework of density-functional theory. Our implementation considers the analytical strain derivatives (stress tensor) including the contributions that stem from (a) van-der-Waals interactions and (b) the Fock-exchange in hybrid functionals. We validate our approach by investigating the geometric and electronic changes that occur in polyacetylene and anthracene under hydrostatic pressure. We show that the fraction of exact exchange included in the calculations is critical - and non-trivial to choose - for a correct description of these systems. Furthermore, we point out trends for the electrical conductivity under pressure and identify the dominant charge carriers and transport directions.

  17. Electrolyte-gated transistors for organic and printed electronics.

    Science.gov (United States)

    Kim, Se Hyun; Hong, Kihyon; Xie, Wei; Lee, Keun Hyung; Zhang, Sipei; Lodge, Timothy P; Frisbie, C Daniel

    2013-04-04

    Here we summarize recent progress in the development of electrolyte-gated transistors (EGTs) for organic and printed electronics. EGTs employ a high capacitance electrolyte as the gate insulator; the high capacitance increases drive current, lowers operating voltages, and enables new transistor architectures. Although the use of electrolytes in electronics is an old concept going back to the early days of the silicon transistor, new printable, fast-response polymer electrolytes are expanding the potential applications of EGTs in flexible, printed digital circuits, rollable displays, and conformal bioelectronic sensors. This report introduces the structure and operation mechanisms of EGTs and reviews key developments in electrolyte materials for use in printed electronics. The bulk of the article is devoted to electrical characterization of EGTs and emerging applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Electronic Education System Model-2

    Science.gov (United States)

    Güllü, Fatih; Kuusik, Rein; Laanpere, Mart

    2015-01-01

    In this study we presented new EES Model-2 extended from EES model for more productive implementation in e-learning process design and modelling in higher education. The most updates were related to uppermost instructional layer. We updated learning processes object of the layer for adaptation of educational process for young and old people,…

  19. Biomedical Diagnostics Enabled by Integrated Organic and Printed Electronics.

    Science.gov (United States)

    Ahmadraji, Termeh; Gonzalez-Macia, Laura; Ritvonen, Tapio; Willert, Andreas; Ylimaula, Satu; Donaghy, David; Tuurala, Saara; Suhonen, Mika; Smart, Dave; Morrin, Aoife; Efremov, Vitaly; Baumann, Reinhard R; Raja, Munira; Kemppainen, Antti; Killard, Anthony J

    2017-07-18

    Organic and printed electronics integration has the potential to revolutionize many technologies, including biomedical diagnostics. This work demonstrates the successful integration of multiple printed electronic functionalities into a single device capable of the measurement of hydrogen peroxide and total cholesterol. The single-use device employed printed electrochemical sensors for hydrogen peroxide electroreduction integrated with printed electrochromic display and battery. The system was driven by a conventional electronic circuit designed to illustrate the complete integration of silicon integrated circuits via pick and place or using organic electronic circuits. The device was capable of measuring 8 μL samples of both hydrogen peroxide (0-5 mM, 2.72 × 10(-6) A·mM(-1)) and total cholesterol in serum from 0 to 9 mM (1.34 × 10(-8) A·mM(-1), r(2) = 0.99, RSD < 10%, n = 3), and the result was output on a semiquantitative linear bar display. The device could operate for 10 min via a printed battery, and display the result for many hours or days. A mobile phone "app" was also capable of reading the test result and transmitting this to a remote health care provider. Such a technology could allow improved management of conditions such as hypercholesterolemia.

  20. 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...

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  2. Conjugated Polymer Zwitterions: Efficient Interlayer Materials in Organic Electronics.

    Science.gov (United States)

    Liu, Yao; Duzhko, Volodimyr V; Page, Zachariah A; Emrick, Todd; Russell, Thomas P

    2016-11-15

    Conjugated polymer zwitterions (CPZs) are neutral, hydrophilic, polymer semiconductors. The pendent zwitterions, viewed as side chain dipoles, impart solubility in polar solvents for solution processing, and open opportunities as interfacial components of optoelectronic devices, for example, between metal electrodes and organic semiconductor active layers. Such interlayers are crucial for defining the performance of organic electronic devices, e.g., field-effect transistors (OFETs), light-emitting diodes (OLEDs), and photovoltaics (OPVs), all of which consist of multilayer structures. The interlayers reduce the Schottky barrier height and thus improve charge injection in OFETs and OLEDs. In OPVs, the interlayers serve to increase the built-in electric potential difference (Vbi) across the active layer, ensuring efficient extraction of photogenerated charge carriers. In general, polar and even charged electronically active polymers have gained recognition for their ability to modify metal/semiconductor interfaces to the benefit of organic electronics. While conjugated polyelectrolytes (CPEs) as interlayer materials are well-documented, open questions remain about the role of mobile counterions in CPE-containing devices. CPZs possess the processing advantages of CPEs, but as neutral molecules lack any potential complications associated with counterions. The electronic implications of CPZs on metal electrodes stem from the orientation of the zwitterion dipole moment in close proximity to the metal surface, and the resultant surface-induced polarization. This generates an interfacial dipole (Δ) at the CPZ/metal interface, altering the work function of the electrode, as confirmed by ultraviolet photoelectron spectroscopy (UPS), and improving device performance. An ideal cathode interlayer would reduce electrode work function, have orthogonal processability to the active layer, exhibit good film forming properties (i.e., wettability/uniformity), prevent exciton

  3. Electronic noise modeling in statistical iterative reconstruction.

    Science.gov (United States)

    Xu, Jingyan; Tsui, Benjamin M W

    2009-06-01

    We consider electronic noise modeling in tomographic image reconstruction when the measured signal is the sum of a Gaussian distributed electronic noise component and another random variable whose log-likelihood function satisfies a certain linearity condition. Examples of such likelihood functions include the Poisson distribution and an exponential dispersion (ED) model that can approximate the signal statistics in integration mode X-ray detectors. We formulate the image reconstruction problem as a maximum-likelihood estimation problem. Using an expectation-maximization approach, we demonstrate that a reconstruction algorithm can be obtained following a simple substitution rule from the one previously derived without electronic noise considerations. To illustrate the applicability of the substitution rule, we present examples of a fully iterative reconstruction algorithm and a sinogram smoothing algorithm both in transmission CT reconstruction when the measured signal contains additive electronic noise. Our simulation studies show the potential usefulness of accurate electronic noise modeling in low-dose CT applications.

  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. Naphthobischalcogenadiazole Conjugated Polymers: Emerging Materials for Organic Electronics.

    Science.gov (United States)

    Osaka, Itaru; Takimiya, Kazuo

    2017-02-27

    π-Conjugated polymers are an important class of materials for organic electronics. In the past decade, numerous polymers with donor-acceptor molecular structures have been developed and used as the active materials for organic devices, such as organic field-effect transistors (OFETs) and organic photovoltaics (OPVs). The choice of the building unit is the primary step for designing the polymers. Benzochalcogenadiazoles (BXzs) are one of the most familiar acceptor building units studied in this area. As their doubly fused system, naphthobischalcogenadiazoles (NXzs), i.e., naphthobisthiadiazole (NTz), naphthobisoxadiazole (NOz), and naphthobisselenadiazole (NSz) are emerging building units that provide interesting electronic properties and highly self-assembling nature for π-conjugated polymers. With these fruitful features, π-conjugated polymers based on these building units demonstrate great performances in OFETs and OPVs. In particular, in OPVs, NTz-based polymers have exhibited more than 10% efficiency, which is among the highest values reported so far. In this Progress Report, the synthesis, properties, and structures of NXzs and their polymers is summarized. The device performance is also highlighted and the structure-property relationships of the polymers are discussed.

  6. Identification of causative organism in cardiac implantable electronic device infections.

    Science.gov (United States)

    Fukunaga, Masato; Goya, Masahiko; Nagashima, Michio; Hiroshima, Kenichi; Yamada, Takashi; An, Yoshimori; Hayashi, Kentaro; Makihara, Yu; Ohe, Masatsugu; Ichihashi, Kei; Ohtsuka, Morimasa; Miyazaki, Hiroaki; Ando, Kenji

    2017-11-01

    The causative organism in cardiovascular implantable electronic device (CIED) infection is usually diagnosed with the cultures from blood, removed leads, and/or infected pocket material. The cultured organism, however, is sometimes different among these samples. Two hundred sixty patients with CIED infection, who underwent lead extraction between April 2005 and December 2014, were analyzed. More than two blood culture sets, all the extracted leads, and swab culture of the pocket were sent to the laboratory for culture. Among the patients all of whose microbiological examinations were available, we analyzed the causative organism defined as the species detected in at least two different sites. All the culture results were available in the 208 patients, showing 69 systemic infections (including 30 cases of infectious endocarditis) and 139 local infections. Blood culture, lead culture, and swab culture were positive in 57 (27%), 169 (81%), and 152 (73%), respectively. Staphylococcus aureus [37% including methicillin-resistant S. aureus (MRSA) (12%)] and coagulase-negative staphylococci (CoNS, 36%) were the most common causative organism, followed by non-staphylococci (23%), and poly-microbial infection (4%). The detection of S. aureus from pocket or removed leads rendered higher predictive value of a causative organism than that of CoNS. The detection of Gram-negative bacteria, fungi, and mycobacteria indicated that it was most likely a causative organism. Gram-positive bacteria excluding Staphylococcus, such as Corynebacterium spp., tended to coexist as a benign organism. The causative organism is mostly S. aureus and CoNS. Detection of S. aureus or Gram-negative bacteria means that it is more likely a causative organism. Copyright © 2017 Japanese College of Cardiology. Published by Elsevier Ltd. All rights reserved.

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

    Directory of Open Access Journals (Sweden)

    John Cole

    2005-11-01

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

  8. Status of Galileo interim radiation electron model

    Science.gov (United States)

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

    2003-01-01

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

  9. Modeling charge transport in organic photovoltaic materials.

    Science.gov (United States)

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

    2009-11-17

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

  10. Large-scale electrohydrodynamic organic nanowire printing, lithography, and electronics

    Science.gov (United States)

    Lee, Tae-Woo

    2014-03-01

    Although the many merits of organic nanowires (NWs), a reliable process for controllable and large-scale assembly of highly-aligned NW parallel arrays based on ``individual control (IC)'' of NWs must be developed since inorganic NWs are mainly grown vertically on substrates and thus have been transferred to the target substrates by any of several non-individually controlled (non-IC) methods such as contact-printing technologies with unidirectional massive alignment, and the random dispersion method with disordered alignment. Controlled alignment and patterning of individual semiconducting NWs at a desired position in a large area is a major requirement for practical electronic device applications. Large-area, high-speed printing of highly-aligned individual NWs that allows control of the exact numbers of wires, and dimensions and their orientations, and its use in high-speed large-area nanolithography is a significant challenge for practical applications. Here we use a high-speed electrohydrodynamic organic nanowire printer to print large-area organic semiconducting nanowire arrays directly on device substrates in an accurately individually-controlled manner; this method also enables sophisticated large-area nanowire lithography for nano-electronics. We achieve an unprecedented high maximum field-effect mobility up to 9.7 cm2 .V-1 .s-1 with extremely low contact resistance (<5.53 Ω . cm) even in nano-channel transistors based on single-stranded semiconducting NWs. We also demonstrate complementary inverter circuit arrays consist of well-aligned p-type and n-type organic semiconducting NWs. Extremely fast nanolithography using printed semiconducting nanowire arrays provide a very simple, reliable method of fabricating large-area and flexible nano-electronics.

  11. Modeling microwave/electron-cloud interaction

    CERN Document Server

    Mattes, M; Zimmermann, F

    2013-01-01

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

  12. 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.

  13. Models of the Semantics-based Electronic Health Records Information Organization%基于语义的电子健康档案信息组织模式

    Institute of Scientific and Technical Information of China (English)

    张素萍

    2015-01-01

    探讨基于语义的电子健康档案信息组织的基本概念、模式、实现方式,指出电子健康档案是实现社区医疗卫生服务网络体系的基础,电子健康档案信息组织的根本目标是服务广大信息消费者、信息生产者和信息传播者。%〔Abstract〕 The paper discusses the basic concept , pattern and implementation methods of the semantics -based electronic health re-cords information organization and points out the electronic health records is the basis for realizing the community medical health service network system .The fundamental objective of the electronic health records information organization is to serve the vast information con -sumers, producers and transmitters .

  14. Organic non-linear optics and opto-electronics

    Science.gov (United States)

    Maldonado, J. L.; Ramos-Ortíz, G.; Rodríguez, M.; Meneses-Nava, M. A.; Barbosa-García, O.; Santillán, R.; Farfán, N.

    2010-12-01

    π-conjugated organic molecules and polymers are of great importance in physics, chemistry, material science and engineering. It is expected that, in the near future, organic materials will find widespread use in many technological applications. In the case of organic opto-electronic systems, the list of devices includes light emitting diodes (OLEDs), photovoltaic cells (OPVs), field-effect transistors (OFET), photorefractive materials for light manipulation, among others. These materials are also used for photonic applications: all-optical switching, modulators, optical correlators, plastic waveguides, all polymeric integrated circuits, solid-state lasers, and for biophotonic applications as in the case of the development of organic labels for multiphoton microscopy and photodynamic therapy. The advances in the developing of organic compounds with better mechanical, electrical, and optical (linear and non-linear) characteristics are of a great importance for this field. Here, we present the research on this area carried out at the Centro de Investigaciones en Óp-tica (CIO), in collaboration with Chemistry Departments of different institutions. This work focuses on the optical characterization of materials through several techniques such as TOF, FWM, TBC, THG Maker Fringes, HRS, Z-scan, and TPEF. Additionally, some applications, such as dynamic holography by using photorefractive polymers, and OPVs cells will be discussed.

  15. Conductivity Modifications of Graphene by Electron Donative Organic Molecules

    Science.gov (United States)

    Masujima, Hiroaki; Mori, Takehiko; Hayamizu, Yuhei

    2017-03-01

    Graphene has been studied for the application of transparent electrodes in flexible electrical devices with semiconductor organics. Control of the charge carrier density in graphene is crucial to reduce the contact resistance between graphene and the active layer of organic semiconductor. Chemical doping of graphene is an approach to change the carrier density, where the adsorbed organic molecules donate or accept electrons form graphene. While various acceptor organic molecules have been demonstrated so far, investigation about donor molecules is still poor. In this work, we have investigated doping effect in graphene field-effect transistors functionalized by organic donor molecules such as dibenzotetrathiafulvalene (DBTTF), hexamethyltetrathiafulvalene (HMTTF), 1,5-diaminonaphthalene (DAN), and N,N,N',N'-tetramethyl-p-phenylenediamine (TMPD). Based on conductivity measurements of graphene transistors, the former three molecules do not have any significant effect to graphene transistors. However, TMPD shows effective n-type doping. The doping effect has a correlation with the level of highest occupied molecular orbital (HOMO) of each molecule, where TMPD has the highest HOMO level.

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

    Science.gov (United States)

    ... Model Organisms to Study Health and Disease Using Model Organisms to Study Health and Disease Tagline (Optional) ... and treating disease in humans. What is a model? The word model has many meanings, but in ...

  17. Multidisciplinary Modelling Tools for Power Electronic Circuits

    DEFF Research Database (Denmark)

    Bahman, Amir Sajjad

    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...... in reliability assessment of power modules, a three-dimensional lumped thermal network is proposed to be used for fast, accurate and detailed temperature estimation of power module in dynamic operation and different boundary conditions. Since an important issue in the reliability of power electronics...... are generic and valid to be used in circuit simulators or any programing software. These models are important building blocks for the reliable design process or performance assessment of power electronic circuits. The models can save time and cost in power electronics packaging and power converter to evaluate...

  18. Organic photovoltaic cells based on unconventional electron donor fullerene and electron acceptor copper hexadecafluorophthalocyanine

    Science.gov (United States)

    Yang, J. L.; Sullivan, P.; Schumann, S.; Hancox, I.; Jones, T. S.

    2012-01-01

    We demonstrate organic discrete heterojunction photovoltaic cells based on fullerene (C60) and copper hexadecafluorophthalocyanine (F16CuPc), in which the C60 and F16CuPc act as the electron donor and the electron acceptor, respectively. The C60/F16CuPc cells fabricated with conventional and inverted architectures both exhibit comparable power conversion efficiencies. Furthermore, we show that the photocurrent in both cells is generated by a conventional exciton dissociation mechanism rather than the exciton recombination mechanism recently proposed for a similar C60/F16ZnPc system [Song et al., J. Am. Chem. Soc. 132, 4554 (2010)]. These results demonstrate that new unconventional material systems are a potential way to fabricate organic photovoltaic cells with inverted as well as conventional architectures.

  19. 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.

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

    Science.gov (United States)

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

    2013-10-01

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

  1. Computer modeling of electron and proton transport in chloroplasts.

    Science.gov (United States)

    Tikhonov, Alexander N; Vershubskii, Alexey V

    2014-07-01

    Photosynthesis is one of the most important biological processes in biosphere, which provides production of organic substances from atmospheric CO2 and water at expense of solar energy. In this review, we contemplate computer models of oxygenic photosynthesis in the context of feedback regulation of photosynthetic electron transport in chloroplasts, the energy-transducing organelles of the plant cell. We start with a brief overview of electron and proton transport processes in chloroplasts coupled to ATP synthesis and consider basic regulatory mechanisms of oxygenic photosynthesis. General approaches to computer simulation of photosynthetic processes are considered, including the random walk models of plastoquinone diffusion in thylakoid membranes and deterministic approach to modeling electron transport in chloroplasts based on the mass action law. Then we focus on a kinetic model of oxygenic photosynthesis that includes key stages of the linear electron transport, alternative pathways of electron transfer around photosystem I (PSI), transmembrane proton transport and ATP synthesis in chloroplasts. This model includes different regulatory processes: pH-dependent control of the intersystem electron transport, down-regulation of photosystem II (PSII) activity (non-photochemical quenching), the light-induced activation of the Bassham-Benson-Calvin (BBC) cycle. The model correctly describes pH-dependent feedback control of electron transport in chloroplasts and adequately reproduces a variety of experimental data on induction events observed under different experimental conditions in intact chloroplasts (variations of CO2 and O2 concentrations in atmosphere), including a complex kinetics of P700 (primary electron donor in PSI) photooxidation, CO2 consumption in the BBC cycle, and photorespiration. Finally, we describe diffusion-controlled photosynthetic processes in chloroplasts within the framework of the model that takes into account complex architecture of

  2. Chemistry and electronic properties of ferromagnetic metal-organic semiconductor interfaces: Fe on CuPc

    Energy Technology Data Exchange (ETDEWEB)

    Aristov, V.Yu. [IFW Dresden, 01069 Dresden (Germany); Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow distr., 142432 (Russian Federation); Molodtsova, O.V.; Knupfer, M. [IFW Dresden, 01069 Dresden (Germany); Ossipyan, Yu.A. [Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow distr., 142432 (Russian Federation); Doyle, B.P. [TASC-INFM Laboratory, Area Science Park - Basovizza, 34012 Trieste (Italy); Department of Physics, University of Johannesburg, PO Box 524, Auckland Park, 2006 (South Africa); Nannarone, S. [TASC-INFM Laboratory, Area Science Park - Basovizza, 34012 Trieste (Italy); Dipartimento di Ingegneria dei Materiali ed Amb., Universita di Modena e Reggio Emilia (Italy)

    2009-12-15

    The chemistry and electronic properties of the interfaces formed between the ferromagnetic metal (Fe) and the model organic semiconductor copper phthalocyanine are investigated in ultra-high vacuum conditions for the case of metal deposition onto the organic molecular thin film. The studies were performed by means of core-level and valence-band high-resolution photoemission electron spectroscopy (PES) as well as near-edge X-ray absorption fine structure using synchrotron radiation. Metal overlayer formation on the top of the organic semiconductor was observed without substantial penetration of deposited metal species into the organic film. At the thin interface layer the ferromagnetic metal shows strong chemical interaction with the nitrogen and carbon of the organic films. Moreover, our results infer that, as a consequence of Fe deposition onto CuPc, central copper atoms of the organic molecules at the interface are reduced from Cu(II) to Cu(I), while Fe atoms are oxidized and/or the ferromagnetic metal replaces this central Cu atom. Further optimization of such an interface is thus required to allow and/or facilitate the injection of spin-polarized carriers into organic semiconductors. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  3. Itinerant electron model and conductance of DNA

    Institute of Scientific and Technical Information of China (English)

    Zhen QU; Da-wei KANG; Xu-tuan GAO; Shi-jie XIE

    2008-01-01

    DNA (Deoxyribonucleic acid) has recently caught the attention of chemists and physicists.A major reason for this interest is DNA's potential use in nanoelectronie devices,both as a template for assembling nanocireuits and as an element of such circuits.However,the electronic properties of the DNA molecule remain very controversial. Charge-transfer reactions and conductivity measurements show a large variety of possible electronic behavior,ranging from Anderson and bandgap insulators to effective molecular wires and induced superconductors.In this review article,we summarize the wide-ranging experimental and theoretical results of charge transport in DNA.An itinerant electron model is suggested and the effect of the density of itinerant electrons on the conductivity of DNA is studied.Calculations show that a DNA molecule may show conductivity from insulating to metallic,which explains the controversial and profuse electric characteristics of DNA to some extent.

  4. Organization customer behavior: Elected models

    Directory of Open Access Journals (Sweden)

    Maričić Branko

    2008-01-01

    Full Text Available Paper is dealing with business-to-business marketing issues with particular attention to some of models oriented to explain differences relative to FMCG marketing. Author describe the core principles of selected models including their basic features. In this paper some of models are in focus - Window and Webster-Window model as well as Sheets model, Nielsen model and Multivariation tools.

  5. Radiation Belt Electron Dynamics: Modeling Atmospheric Losses

    Science.gov (United States)

    Selesnick, R. S.

    2003-01-01

    The first year of work on this project has been completed. This report provides a summary of the progress made and the plan for the coming year. Also included with this report is a preprint of an article that was accepted for publication in Journal of Geophysical Research and describes in detail most of the results from the first year of effort. The goal for the first year was to develop a radiation belt electron model for fitting to data from the SAMPEX and Polar satellites that would provide an empirical description of the electron losses into the upper atmosphere. This was largely accomplished according to the original plan (with one exception being that, for reasons described below, the inclusion of the loss cone electrons in the model was deferred). The main concerns at the start were to accurately represent the balance between pitch angle diffusion and eastward drift that determines the dominant features of the low altitude data, and then to accurately convert the model into simulated data based on the characteristics of the particular electron detectors. Considerable effort was devoted to achieving these ends. Once the model was providing accurate results it was applied to data sets selected from appropriate periods in 1997, 1998, and 1999. For each interval of -30 to 60 days, the model parameters were calculated daily, thus providing good short and long term temporal resolution, and for a range of radial locations from L = 2.7 to 3.9. .

  6. Design of Novel Organic Thin Film Transistors for Wearable Electronics

    Science.gov (United States)

    2012-08-01

    Materials Engineering as of 2011 on the project of “Modelling of Phthalocyanine based thin film organic transistors”. Experimental data on output...Brunel University Wolfson Centre for Materials Processing Michael Sterling, 259 Uxbridge, United Kingdom UB8 3PH EOARD Grant 10-3056...NAME(S) AND ADDRESS(ES) Brunel University Wolfson Centre for Materials Processing Michael Sterling, 259 Uxbridge, United Kingdom UB8 3PH 8

  7. Electron-hole recombination in disordered organic semiconductors: Validity of the Langevin formula

    Science.gov (United States)

    van der Holst, J. J. M.; van Oost, F. W. A.; Coehoorn, R.; Bobbert, P. A.

    2009-12-01

    Accurate modeling of electron-hole recombination in organic light-emitting diodes (OLEDs) is essential for developing a complete description of their functioning. Traditionally, the recombination rate is described by the Langevin formula, with a proportionality factor equal to the sum of the electron and hole mobilities. In the disordered organic semiconductors used in OLEDs these mobilities have been shown to depend strongly on the carrier densities and on the electric field. Moreover, the energetic disorder leads to percolating pathways for the electron and hole currents, which may or may not be correlated. To answer the question whether the Langevin formula is still valid under such circumstances we perform Monte Carlo simulations of the recombination rate for Gaussian energetic disorder. We vary the disorder energy, the temperature, the densities, and mobility ratio of electrons and holes, the electric field, and the type of correlation between the electron and hole energies. We find that at zero electric field the Langevin formula is surprisingly well obeyed, provided that a change in the charge-carrier mobilities due to the presence of charge carriers of the opposite type is taken into account. Deviations from the Langevin formula at finite electric field are small at the field scale relevant for OLED modeling.

  8. 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

  9. Near infrared organic photodetector utilizing a double electron blocking layer.

    Science.gov (United States)

    Shafian, Shafidah; Hwang, Heewon; Kim, Kyungkon

    2016-10-31

    A near infrared organic photodiode (OPD) utilizing a double electron blocking layer (EBL) fabricated by the sequential deposition of molybdenum (VI) oxide (MoO3) and poly(3,4ethylenedioxythiophene):poly(styrene-sulfonate) (PEDOT:PSS) is reported. The double EBL improves the on/off current ratio of OPD up to 1.36 x 104 at -1V, which is one order of magnitude higher than PEDOT:PSS single EBL (2.45 x 103) and three orders of magnitude higher than that of MoO3 single EBL (7.86). The detectivity at near infrared (800 nm) at -1V is 4.90 x 1011 Jones, which is 2.83 times higher than the PEDOT:PSS single EBL and 2 magnitudes higher compared to the MoO3 single EBL.

  10. 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

  11. Information Organization and Visualization Mechanism of Electronic Map%电子地图的信息组织及可视化机制

    Institute of Scientific and Technical Information of China (English)

    蔡忠亮; 王巧; 翁敏; 蒋珊珊; 杜清运

    2008-01-01

    Based on research on information organization and visualization mechanism of multimedia electronic map,this paper proposes an organization method about spatial information and multimedia information of multimedia electronic map:seamless spatial data were organized and managed by stratified expansion R-tree and Quacl-tree hierarchy;and multimedia information data were organized and managed by hypermedia model based on an electronic map.Considering electronic map features,the paper also proposes a method for spatial date organization,which integrates Digital Landscape Model and Digi-tal Cartographic Model,and a hybrid model between vector and raster spatial data.Then,the paper studies information visu-alization mechanism of multimedia electronic map.Finally,the paper certifies the results via a case of multimedia electronic map authoring tools software-Atlas2005.

  12. Electron Correlation Models for Optical Activity

    DEFF Research Database (Denmark)

    Höhn, E. G.; O. E. Weigang, Jr.

    1968-01-01

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

  13. Trapped Electron Model 2 (TEM-2)

    Science.gov (United States)

    2010-04-25

    Ginet (AFRL and MIT/Lincoln Lab). We made extensive use of the IRBEM (formerly ONERA ) library of magnetic field models and field line tracing...several others. We are aware of other efforts to develop reanalysis models of the electron radiation belts. One effort, at ONERA (Office National...sensors on GPS and geosynchronous (GEO) satellites, the ONERA group has obtained promising results, including a first physics-based data

  14. Fossil micro-organisms evidenced by electronic microscopy

    Energy Technology Data Exchange (ETDEWEB)

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

    1983-04-01

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

  15. 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.

  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. Model Order Reduction for Electronic Circuits:

    DEFF Research Database (Denmark)

    Hjorth, Poul G.; Shontz, Suzanne

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

  18. Dynamics models of soil organic carbon

    Institute of Scientific and Technical Information of China (English)

    YANGLi-xia; PANJian-jun

    2003-01-01

    As the largest pool of terrestrial organic carbon, soils interact strongly with atmosphere composition, climate, and land change. Soil organic carbon dynamics in ecosystem plays a great role in global carbon cycle and global change. With development of mathematical models that simulate changes in soil organic carbon, there have been considerable advances in understanding soil organic carbon dynamics. This paper mainly reviewed the composition of soil organic matter and its influenced factors, and recommended some soil organic matter models worldwide. Based on the analyses of the developed results at home and abroad, it is suggested that future soil organic matter models should be developed toward based-process models, and not always empirical ones. The models are able to reveal their interaction between soil carbon systems, climate and land cover by technique and methods of GIS (Geographical Information System) and RS (Remote Sensing). These models should be developed at a global scale, in dynamically describing the spatial and temporal changes of soil organic matter cycle. Meanwhile, the further researches on models should be strengthen for providing theory basis and foundation in making policy of green house gas emission in China.

  19. Exactly solvable models of strongly correlated electrons

    CERN Document Server

    Korepin, Vladimir E

    1994-01-01

    Systems of strongly correlated electrons are at the heart of recent developments in condensed matter theory. They have applications to phenomena like high-T c superconductivity and the fractional quantum hall effect. Analytical solutions to such models, though mainly limited to one spatial dimension, provide a complete and unambiguous picture of the dynamics involved. This volume is devoted to such solutions obtained using the Bethe Ansatz, and concentrates on the most important of such models, the Hubbard model. The reprints are complemented by reviews at the start of each chapter and an exte

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

    Directory of Open Access Journals (Sweden)

    A. S. Avrunin

    2016-01-01

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

  1. Modeling of high-speed electronic devices

    Directory of Open Access Journals (Sweden)

    V. G. Kudrya

    2013-09-01

    Full Text Available Introduction. The theme of this publication is the modeling of electronic tools that operate in the frequency range from zero to terahertz and higher. Application of new concepts and technologies, including biotechnology and nanotechnology in the development of monolithic integrated circuits led to a backlog of technologies of projecting from technologies and experimental research and manufacturing. The aim of this work is to develop algorithms for analysis, reflecting not only topological as well as morphological properties of the object, that is designing within the framework of accounting EMI communicational  transmission of energy and information in the volume of the monolithic integrated circuit. Basic steps for constructing the algorithm. The object of design is presented in the form of basic elements, which can be combined with a communication structure. The object of design is presented in the form of basic elements, which can be combined with a communication structure. There are three types of matrix equations: component; component - communication structure; communication structure. Systems of equations are reduced to standardized descriptors of mathematical model by which to understand current of poles and voltage arcs whole set of basic elements. In this way obtained mathematical model that can be implemented in CAD nano and micro technology electronics. Conclusions. Mathematical models of analysis of high-speed digital and analog electronic means. The algorithm allows morphological optimization is to minimize the adverse effects outside the system of electromagnetic interaction between the components and communicator.

  2. Electronic circuits modeling using artificial neural networks

    Directory of Open Access Journals (Sweden)

    Andrejević Miona V.

    2003-01-01

    Full Text Available In this paper artificial neural networks (ANN are applied to modeling of electronic circuits. ANNs are used for application of the black-box modeling concept in the time domain. Modeling process is described, so the topology of the ANN, the testing signal used for excitation, together with the complexity of ANN are considered. The procedure is first exemplified in modeling of resistive circuits. MOS transistor, as a four-terminal device, is modeled. Then nonlinear negative resistive characteristic is modeled in order to be used as a piece-wise linear resistor in Chua's circuit. Examples of modeling nonlinear dynamic circuits are given encompassing a variety of modeling problems. A nonlinear circuit containing quartz oscillator is considered for modeling. Verification of the concept is performed by verifying the ability of the model to generalize i.e. to create acceptable responses to excitations not used during training. Implementation of these models within a behavioral simulator is exemplified. Every model is implemented in realistic surrounding in order to show its interaction, and of course, its usage and purpose.

  3. Power electronics system modeling and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Jih-Sheng

    1994-12-31

    This paper introduces control system design based softwares, SIMNON and MATLAB/SIMULINK, for power electronics system simulation. A complete power electronics system typically consists of a rectifier bridge along with its smoothing capacitor, an inverter, and a motor. The system components, featuring discrete or continuous, linear or nonlinear, are modeled in mathematical equations. Inverter control methods,such as pulse-width-modulation and hysteresis current control, are expressed in either computer algorithms or digital circuits. After describing component models and control methods, computer programs are then developed for complete systems simulation. Simulation results are mainly used for studying system performances, such as input and output current harmonics, torque ripples, and speed responses. Key computer programs and simulation results are demonstrated for educational purposes.

  4. Modelling the inelastic scattering of fast electrons

    Energy Technology Data Exchange (ETDEWEB)

    Allen, L.J., E-mail: lja@unimelb.edu.au [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); D' Alfonso, A.J., E-mail: a.j@dalfonso.com.au [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); Findlay, S.D. [School of Physics, Monash University, Clayton, Victoria 3800 (Australia)

    2015-04-15

    Imaging at atomic resolution based on the inelastic scattering of electrons has become firmly established in the last three decades. Harald Rose pioneered much of the early theoretical work on this topic, in particular emphasising the role of phase and the importance of a mixed dynamic form factor. In this paper we review how the modelling of inelastic scattering has subsequently developed and how numerical implementation has been achieved. A software package μSTEM is introduced, capable of simulating various imaging modes based on inelastic scattering in both scanning and conventional transmission electron microscopy. - Highlights: • Harald Rose was a pioneer of important work on atomic resolution imaging using inelastic scattering. • We review how the modelling of inelastic scattering has subsequently developed and been applied. • A software package μSTEM is introduced, capable of simulating various inelastic imaging modes.

  5. 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 ...

  6. 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. .

  7. 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

  8. 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

  9. 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

  10. 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...

  11. 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.

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

    CERN Document Server

    Paszkiewicz, Zbigniew

    2011-01-01

    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.

  13. Modeling personnel turnover in the parametric organization

    Science.gov (United States)

    Dean, Edwin B.

    1991-01-01

    A model is developed for simulating the dynamics of a newly formed organization, credible during all phases of organizational development. The model development process is broken down into the activities of determining the tasks required for parametric cost analysis (PCA), determining the skills required for each PCA task, determining the skills available in the applicant marketplace, determining the structure of the model, implementing the model, and testing it. The model, parameterized by the likelihood of job function transition, has demonstrated by the capability to represent the transition of personnel across functional boundaries within a parametric organization using a linear dynamical system, and the ability to predict required staffing profiles to meet functional needs at the desired time. The model can be extended by revisions of the state and transition structure to provide refinements in functional definition for the parametric and extended organization.

  14. Self-organizing fuzzy clustering neural network and application to electronic countermeasures effectiveness evaluation

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A self-organizing fuzzy clustering neural network by combining the self-organizing Kohonen clustering network with the fuzzy theory is proposed.This network model is designed for the effectiveness evaluation of electronic countermeasures,which not only exerts the advantages of the fuzzy theory,but also has a good ability in machine learning and data analysis.The subjective value of sample versus class is computed by the fuzzy computing theory,and the classified results obtained by self-organizing learning of Kohonen neural network are represented on output layer.Meanwhile,the fuzzy competition learning algorithm keeps the similar information between samples and overcomes the disadvantages of neural network which has fewer samples.The simulation result indicates that the proposed algorithm is feasible and effective.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. Geminate electron-hole recombination in organic photovoltaic cells. A semi-empirical theory

    Science.gov (United States)

    Wojcik, Mariusz; Nowak, Artur; Seki, Kazuhiko

    2017-02-01

    We propose a semi-empirical theory which describes the geminate electron-hole separation probability in both homogeneous systems and donor-acceptor heterojunction systems applicable in organic photovoltaics. The theory is based on the results of extensive simulation calculations, which were carried out using various lattice models of the medium and different charge-carrier hopping mechanisms, over the parameter ranges typical for organic solar cells. It is found that the electron-hole separation probability can be conveniently described in terms of measurable parameters by a formula whose functional form is derived from the existing recombination theories, and which contains only one empirical parameter. For homogeneous systems, this parameter is determined by the structure of the medium and only weakly depends on the charge-carrier hopping mechanism. In the case of donor-acceptor heterojunction systems, this empirical parameter shows a simple power-law dependence on the product of the dielectric constant and inter-molecular contact distance. We also study the effect of heterojunction structure on the electron-hole separation probability and show that this probability decreases with increasing roughness of the heterojunction. By analyzing the simulation results obtained for systems under the influence of an external electric field, we find that the field effect on the electron-hole separation probability in donor-acceptor heterojunction systems is weaker than in homogeneous systems. We also describe this field effect by a convenient empirical formula.

  20. Geminate electron-hole recombination in organic photovoltaic cells. A semi-empirical theory.

    Science.gov (United States)

    Wojcik, Mariusz; Nowak, Artur; Seki, Kazuhiko

    2017-02-07

    We propose a semi-empirical theory which describes the geminate electron-hole separation probability in both homogeneous systems and donor-acceptor heterojunction systems applicable in organic photovoltaics. The theory is based on the results of extensive simulation calculations, which were carried out using various lattice models of the medium and different charge-carrier hopping mechanisms, over the parameter ranges typical for organic solar cells. It is found that the electron-hole separation probability can be conveniently described in terms of measurable parameters by a formula whose functional form is derived from the existing recombination theories, and which contains only one empirical parameter. For homogeneous systems, this parameter is determined by the structure of the medium and only weakly depends on the charge-carrier hopping mechanism. In the case of donor-acceptor heterojunction systems, this empirical parameter shows a simple power-law dependence on the product of the dielectric constant and inter-molecular contact distance. We also study the effect of heterojunction structure on the electron-hole separation probability and show that this probability decreases with increasing roughness of the heterojunction. By analyzing the simulation results obtained for systems under the influence of an external electric field, we find that the field effect on the electron-hole separation probability in donor-acceptor heterojunction systems is weaker than in homogeneous systems. We also describe this field effect by a convenient empirical formula.

  1. 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.

  2. Electronic Warfare in Army Models - A Survey.

    Science.gov (United States)

    1980-08-01

    Improvement Program (AMIP), Joint (Army, AF, Marines) EW Center, and SAGA (Studies, Analysis, and Gaming Agency) of the Joint Chiefs of Staff to identify an...Virginia, January, 1973. 5. Catalog of Wargaming and Military Simulation Models, 7th Edition, SAGA 180-77, Studies, Analysis, and Gaming Agency, Organization...snow/sleet. It can simulate nighttime with full moon and twilight , smoke and dust as they affect the target acquisition capability of an RPV-type device

  3. The Dismantling of the Japanese Model in Consumer Electronics

    DEFF Research Database (Denmark)

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

    This paper addresses an issue of great importance for the future organization of the consumerelectronics industry: the "battle" of control over component-based digitization. We are now witnessing the dismantling of the Japanese Model that has prevailed in consumer electronicsover the past 30 year...... technology. Aframework is developed to explain the reluctance of most of the large consumer electronicsgiants in developing/adopting this new technology.Key words: Consumer electronics, Industrial dynamics, Open InnovationJEL Codes: L6, L68, O32......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...

  4. 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).

  5. Nanoscale Potentiometry and Spectroscopy of Organic Electronic and Photonic Materials and Devices using Conductive Atomic Force Microscopy

    Science.gov (United States)

    Hersam, M. C.; Fabbroni, E. F.; Such, M. W.; Shull, K. R.; Veinot, J. G. C.; Marks, T. J.

    2002-03-01

    As organic devices approach the nanometer scale, spatial variations in the electronic and photonic properties of organic materials become increasingly significant. To this end, we have developed conductive atomic force microscopy techniques for measuring temporally and spatially dependent electronic and photonic signals. To test this general nanocharacterization technique, two model organic systems have been studied: (1) a polyethylene-co-maleic anhydride matrix filled with aggregates of carbon black particles and (2) organic light emitting diode (OLED) structures. In the first case, surface potentiometry measurements illustrate individual nanoscale agglomerates of highly conductive carbon black particles within the insulating matirx. In the OLED experiments, electron transport and photon emission are concurrently mapped with 10 nm spatial resolution. Ultimately, we correlate these nanoscale measurements with macroscopic device behavior.

  6. Modelling elliptically polarised Free Electron Lasers

    CERN Document Server

    Henderson, J R; Freund, H P; McNeil, B W J

    2016-01-01

    A model of a Free Electron Laser operating with an elliptically polarised undulator is presented. The equations describing the FEL interaction, including resonant harmonic radiation fields, are averaged over an undulator period and generate a generalised Bessel function scaling factor, similar to that of planar undulator FEL theory. Comparison between simulations of the averaged model with those of an unaveraged model show very good agreement in the linear regime. Two unexpected results were found. Firstly, an increased coupling to harmonics for elliptical rather than planar polarisarised undulators. Secondly, and thought to be unrelated to the undulator polarisation, a signficantly different evolution between the averaged and unaveraged simulations of the harmonic radiation evolution approaching FEL saturation.

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

    Directory of Open Access Journals (Sweden)

    Sérgio Roberto da Silva

    2016-06-01

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

  8. Application of transmission electron tomography for modeling the renal corpuscle.

    Science.gov (United States)

    Cheng, Delfine; Shen, Sylvie; Chen, Xin-Ming; Pollock, Carol; Braet, Filip

    2013-11-01

    Structural alteration to the microanatomical organization of the glomerular filtration barrier results in proteinuria. Conventional transmission electron microscopy is an important diagnostic tool to assess the degree of ultrastructural damage of the corpusclar filtration unit. However, this approach lacks the ability to collect accurate stereological insights in a relative large tissue volume. Transmission electron tomography offers the ability to gather three-dimensional information with relative ease. Therefore, this contribution aims to highlight what electron tomography can bring to the pathologist in this challenging area of diagnostic practice. Kidney tissue was prepared for routine ultrastructural transmission electron microscopy investigation. Three-dimensional data stacks were automatically acquired by tilting semi-thin sections of 270 nm in an angular range of typically -60° to +60° with 1° increment. Subsequently, models of the filtration unit were produced by computer-assisted tracking of structures of interest. This short report illustrates the capability that transmission electron tomography can offer in the fine structure-function assessment of the porous fenestrated glomerular capillary endothelium, the underlying basement membrane and the podocyte filtration slits. Furthermore, this approach allows the generation of morphometric data about size, shape and volume alterations of the kidney's filtration barrier at the nanoscale.

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

    NARCIS (Netherlands)

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

    2012-01-01

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

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

    NARCIS (Netherlands)

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

    2012-01-01

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

  11. Quantum Ising model coupled with conducting electrons

    Energy Technology Data Exchange (ETDEWEB)

    Yamashita, Yasufumi; Yonemitsu, Kenji [Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan); Graduate University for Advanced studies, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan)

    2005-01-01

    The effect of photo-doping on the quantum paraelectric SrTiO{sub 3} is studied by using the one-dimensional quantum Ising model, where the Ising spin describes the effective lattice polarization of an optical phonon. Two types of electron-phonon couplings are introduced through the modulation of transfer integral via lattice deformations. After the exact diagonalization and the perturbation studies, we find that photo-induced low-density carriers can drastically alter quantum fluctuations when the system locates near the quantum critical point between the quantum para- and ferro-electric phases.

  12. Quantum Ising model coupled with conducting electrons

    Science.gov (United States)

    Yamashita, Yasufumi; Yonemitsu, Kenji

    2005-01-01

    The effect of photo-doping on the quantum paraelectric SrTiO3 is studied by using the one-dimensional quantum Ising model, where the Ising spin describes the effective lattice polarization of an optical phonon. Two types of electron-phonon couplings are introduced through the modulation of transfer integral via lattice deformations. After the exact diagonalization and the perturbation studies, we find that photo-induced low-density carriers can drastically alter quantum fluctuations when the system locates near the quantum critical point between the quantum para- and ferro-electric phases.

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

    Science.gov (United States)

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

    2017-05-18

    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 scales. To assess beam damage at the angstrom scale, we followed the intensity of P3HT and PCBM diffraction rings as a function of accumulated electron dose by acquiring dose series and varying the electron dose rate, sample preparation, and the temperature during acquisition. From this, we calculated a critical dose for diffraction experiments. In imaging mode, thin film deformation was assessed using the normalized cross-correlation coefficient, while mass loss was determined via changes in average intensity and standard deviation, also varying electron dose rate, sample preparation, and temperature during acquisition. The understanding of beam damage and the determination of critical electron doses provides a framework for future experiments to maximize the information content during the acquisition of images and diffraction patterns with (cryogenic) transmission electron microscopy.

  14. Condensing Organic Aerosols in a Microphysical Model

    Science.gov (United States)

    Gao, Y.; Tsigaridis, K.; Bauer, S.

    2015-12-01

    The condensation of organic aerosols is represented in a newly developed box-model scheme, where its effect on the growth and composition of particles are examined. We implemented the volatility-basis set (VBS) framework into the aerosol mixing state resolving microphysical scheme Multiconfiguration Aerosol TRacker of mIXing state (MATRIX). This new scheme is unique and advances the representation of organic aerosols in models in that, contrary to the traditional treatment of organic aerosols as non-volatile in most climate models and in the original version of MATRIX, this new scheme treats them as semi-volatile. Such treatment is important because low-volatility organics contribute significantly to the growth of particles. The new scheme includes several classes of semi-volatile organic compounds from the VBS framework that can partition among aerosol populations in MATRIX, thus representing the growth of particles via condensation of low volatility organic vapors. Results from test cases representing Mexico City and a Finish forrest condistions show good representation of the time evolutions of concentration for VBS species in the gas phase and in the condensed particulate phase. Emitted semi-volatile primary organic aerosols evaporate almost completely in the high volatile range, and they condense more efficiently in the low volatility range.

  15. An experimental electronic model for a neuronal cell

    Science.gov (United States)

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

    2014-04-01

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

  16. Model of electron pairs in electron-doped cuprates

    Science.gov (United States)

    Singh, R. J.; Khan, Shakeel

    2016-07-01

    In the order parameter of hole-doped cuprate superconductors in the pseudogap phase, two holes enter the order parameter from opposite sides and pass through various CuO2 cells jumping from one O2- to the other under the influence of magnetic field offered by the Cu2+ ions in that CuO2 cell and thus forming hole pairs. In the pseudogap phase of electron-doped cuprates, two electrons enter the order parameter at Cu2+ sites from opposite ends and pass from one Cu2+ site to the diagonally opposite Cu2+ site. Following this type of path, they are subjected to high magnetic fields from various Cu2+ ions in that cell. They do not travel from one Cu2+ site to the other along straight path but by helical path. As they pass through the diagonal, they face high to low to very high magnetic field. Therefore, frequency of helical motion and pitch goes on changing with the magnetic field. Just before reaching the Cu2+ ions at the exit points of all the cells, the pitch of the helical motion is enormously decreased and thus charge density at these sites is increased. So the velocity of electrons along the diagonal path is decreased. Consequently, transition temperature of electron-doped cuprates becomes less than that of hole-doped cuprates. Symmetry of the order parameter of the electron-doped cuprates has been found to be of 3dx2-y2 + iS type. It has been inferred that internal magnetic field inside the order parameter reconstructs the Fermi surface, which is requisite for superconductivity to take place. Electron pairs formed in the pseudogap phase are the precursors of superconducting order parameter when cooled below Tc.

  17. Modeling ion sensing in molecular electronics

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Caroline J.; Smeu, Manuel, E-mail: manuel.smeu@northwestern.edu; Ratner, Mark A., E-mail: ratner@northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 (United States)

    2014-02-07

    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{sup +}), alkali metal cations (M{sup +}), calcium ions (Ca{sup 2+}), and hydronium ions (H{sub 3}O{sup +}) is considered. Density functional theory (DFT) is used within the Keldysh non-equilibrium Green's function framework (NEGF) to model electron transport properties of quinolinedithiol (QDT, C{sub 9}H{sub 7}NS{sub 2}), bridging Al electrodes. The geometry of the transport region is relaxed with DFT. The transport properties of the device are modeled with NEGF-DFT to determine if this device can distinguish among the M{sup +} + QDT species containing monovalent cations, where M{sup +} = H{sup +}, Li{sup +}, Na{sup +}, or K{sup +}. 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.

  18. 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

  19. 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.

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

    Science.gov (United States)

    Hannah, David R.; Venkatachary, Ranga

    2010-01-01

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

  1. 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.

  2. Electronic and magnetic properties of a conductive metal-organic framework from first principles

    Science.gov (United States)

    Hamed, Samia M.; Reyes-Lillo, Sebastian E.; Neaton, Jeffrey B.

    Motivated by the recent synthesis of a mixed-valence metal-organic framework (MOF) displaying high electron mobilities upon reduction, we undertake a computational study of its electronic, structural, and magnetic properties, utilizing ab initio density functional theory. We model the reduced system through charge doping, and the local ligand environment through finite cluster calculations. Molecular orbitals near the Fermi level are found to display mixtures of localized iron d and delocalized ligand p states suggesting strong charge carrier delocalization. Furthermore, we extend our study to one dimensional and three dimensional periodic systems and discuss possible transport mechanisms. Finally, the static correlation effects due to the presence of partially filled iron d orbitals requires an especially careful choice of exchange correlation functional, and the consequence of this choice is demonstrated.

  3. 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.

  4. Web Resources for Model Organism Studies

    Institute of Scientific and Technical Information of China (English)

    Bixia Tang; Yanqing Wang; Junwei Zhu; Wenming Zhao

    2015-01-01

    An ever-growing number of resources on model organisms have emerged with the continued development of sequencing technologies. In this paper, we review 13 databases of model organisms, most of which are reported by the National Institutes of Health of the United States (NIH; http://www.nih.gov/science/models/). We provide a brief description for each database, as well as detail its data source and types, functions, tools, and availability of access. In addition, we also provide a quality assessment about these databases. Significantly, the organism databases instituted in the early 1990s––such as the Mouse Genome Database (MGD), Saccharomyces Genome Database (SGD), and FlyBase––have developed into what are now comprehensive, core authority resources. Furthermore, all of the databases mentioned here update continually according to user feedback and with advancing technologies.

  5. Mathematical Modeling Social Responsibility for Dynamic Organizations

    Directory of Open Access Journals (Sweden)

    Farzaneh Chavoshbashi

    2012-03-01

    Full Text Available Dynamic organizations as accountable organizations, for transparency and accountability to its stakeholders to stakeholders for their toward performance there should express their commitment to social responsibility are through their values and ensure that this commitment throughout the organization are now and thus will have a social responsibility for their mutual benefit, so there is more and more coherent in their ethical approach takes advantage and the community and stakeholders and the organization will have better performance and strengths. Because of interest in social responsibility, in this paper dynamic model is presented for Corporate Social Responsibility of Bionic organization. Model presented a new model is inspired by chaos theory and natural systems theory based on bifurcation in creation to be all natural systems, realizing the value of responsibility as one of the fundamental values of social and institutional development that the relationship between business and work environment in the global market economy and range will be specified. First Social Responsibility factors identified, then experts and scholars determine the weight of the components and technical coefficient for modeling and paired comparison has been done using MATLAB mathematical Software.

  6. Organ-to-Cell-Scale Health Assessment Using Geographical Information System Approaches with Multibeam Scanning Electron Microscopy.

    Science.gov (United States)

    Knothe Tate, Melissa L; Zeidler, Dirk; Pereira, André F; Hageman, Daniel; Garbowski, Tomasz; Mishra, Sanjay; Gardner, Lauren; Knothe, Ulf R

    2016-07-01

    This study combines novel multibeam electron microscopy with a geographical information system approach to create a first, seamless, navigable anatomic map of the human hip and its cellular inhabitants. Using spatial information acquired by localizing relevant map landmarks (e.g. cells, blood vessels), network modeling will enable disease epidemiology studies in populations of cells inhabiting tissues and organs.

  7. Polymer models of chromosome (re)organization

    Science.gov (United States)

    Mirny, Leonid

    Chromosome Conformation Capture technique (Hi-C) provides comprehensive information about frequencies of spatial interactions between genomic loci. Inferring 3D organization of chromosomes from these data is a challenging biophysical problem. We develop a top-down approach to biophysical modeling of chromosomes. Starting with a minimal set of biologically motivated interactions we build ensembles of polymer conformations that can reproduce major features observed in Hi-C experiments. I will present our work on modeling organization of human metaphase and interphase chromosomes. Our works suggests that active processes of loop extrusion can be a universal mechanism responsible for formation of domains in interphase and chromosome compaction in metaphase.

  8. 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.

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

    OpenAIRE

    2016-01-01

    A physics-based explicit mathematical model for the external voltage-dependent forward dark current in bulk heterojunction (BHJ) organic solar cells is developed by considering Shockley-Read-Hall (SRH) recombination and solving the continuity equations for both electrons and holes. An analytical model for the external voltage-dependent photocurrent in BHJ organic solar cells is also proposed by incorporating exponential photon absorption, dissociation efficiency of bound electron-hole pairs (...

  10. Microtechnology-Based Multi-Organ Models

    Directory of Open Access Journals (Sweden)

    Seung Hwan Lee

    2017-05-01

    Full Text Available Drugs affect the human body through absorption, distribution, metabolism, and elimination (ADME processes. Due to their importance, the ADME processes need to be studied to determine the efficacy and side effects of drugs. Various in vitro model systems have been developed and used to realize the ADME processes. However, conventional model systems have failed to simulate the ADME processes because they are different from in vivo, which has resulted in a high attrition rate of drugs and a decrease in the productivity of new drug development. Recently, a microtechnology-based in vitro system called “organ-on-a-chip” has been gaining attention, with more realistic cell behavior and physiological reactions, capable of better simulating the in vivo environment. Furthermore, multi-organ-on-a-chip models that can provide information on the interaction between the organs have been developed. The ultimate goal is the development of a “body-on-a-chip”, which can act as a whole body model. In this review, we introduce and summarize the current progress in the development of multi-organ models as a foundation for the development of body-on-a-chip.

  11. Microtechnology-Based Multi-Organ Models.

    Science.gov (United States)

    Lee, Seung Hwan; Sung, Jong Hwan

    2017-05-21

    Drugs affect the human body through absorption, distribution, metabolism, and elimination (ADME) processes. Due to their importance, the ADME processes need to be studied to determine the efficacy and side effects of drugs. Various in vitro model systems have been developed and used to realize the ADME processes. However, conventional model systems have failed to simulate the ADME processes because they are different from in vivo, which has resulted in a high attrition rate of drugs and a decrease in the productivity of new drug development. Recently, a microtechnology-based in vitro system called "organ-on-a-chip" has been gaining attention, with more realistic cell behavior and physiological reactions, capable of better simulating the in vivo environment. Furthermore, multi-organ-on-a-chip models that can provide information on the interaction between the organs have been developed. The ultimate goal is the development of a "body-on-a-chip", which can act as a whole body model. In this review, we introduce and summarize the current progress in the development of multi-organ models as a foundation for the development of body-on-a-chip.

  12. New Federated Collaborative Networked Organization Model (FCNOM

    Directory of Open Access Journals (Sweden)

    Morcous M. Yassa

    2012-01-01

    Full Text Available Formation of Collaborative Networked Organization (CNO usually comes upon expected business opportunities and needs huge of negotiation during its lifecycle, especially to increase the Dynamic Virtual Organization (DVO configuration automation. Decision makers need more comprehensive information about CNO system to support their decisions. Unfortunately, there is no single formal modeling, tool, approach or any comprehensive methodology that covers all perspectives. In spite of there are some approaches to model CNO have been existed, these approaches model the CNO either with respect to the technology, or business without considering organizational behavior, federation modeling, and external environments. The aim of this paper is to propose an integrated framework that combines the existed modeling perspectives, as well as, proposes new ones. Also, it provides clear CNO boundaries. By using this approach the view of CNO environment becomes clear and unified. Also, it minimizes the negotiations within CNO components during its life cycle, supports DVO configuration automation, as well as, helps decision making for DVO, and achieves harmonization between CNO partners. The proposed FCNOM utilizes CommonKADS methodology organization model for describing CNO components. Insurance Collaborative Network has been used as an example to proof the proposed FCNOM model.

  13. Characterization and Modeling of Power Electronics Device

    Directory of Open Access Journals (Sweden)

    Tandjaoui Mohammed Nasser

    2014-10-01

    Full Text Available During the three decades spent, the advances of high voltage/current semiconductor technology directly affect the power electronics converter technology and its progress. The developments of power semiconductors led successively to the appearance of the elements such as the Thyristors, and become commercially available. The various semiconductor devices can be classified into the way they can be controlled, uncontrolled category such as the Diode when it’s on or off state is controlled by the power circuit, and second category is the fully controlled such as the Metal Oxide Semiconductor Field Effect Transistor (MOSFET, and this category can be included a new hybrid devices such as the Insulated Gate Bipolar Transistor (IGBT, and the Gate Turn-off Thyristor (GTO. This paper describes the characteristics and modeling of several types of power semiconductor devices such as MOSFET, IGBT and GTO.

  14. 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...... such as rural amenities and rural development that are spillover benefit additional to the supply of food. In this paper we further develop an existing dynamic general equilibrium model of the Danish economy to specifically incorporate organic farming. In the model and input-output data each primary...... to illustrate the working of our theory by constructing a long term forecast for the development of the Danish economy. Moreover we simulate the effect of the recent agreed 2003 reform of the common agricultural policy....

  15. Safety Cultural Competency Modeling in Nuclear Organizations

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-05-15

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

  16. Expanding on Successful Concepts, Models, and Organization

    Science.gov (United States)

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

  17. Exploring the electronic structure of an organic semiconductor based on a compactly fused electron donor-acceptor molecule.

    Science.gov (United States)

    Alemany, Pere; Canadell, Enric; Geng, Yan; Hauser, Jürg; Macchi, Piero; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia

    2015-05-18

    A Mott-type semiconductor based on a compactly fused and partially oxidized electron donor-acceptor (D-A) molecule was recently prepared and identified to exhibit a large room-temperature conductivity of 2 S cm(-1) . In a marked contrast to the organic conductors characterized by relatively well decoupled and segregated uniform stacks of D and A moieties, the formally half-oxidized tetrathiafulvalene donors of the actual compound are organized in columnar π stacks only, whereby the coplanar electron-acceptor units, namely benzothiadiazole, are closely annulated along their ridges. Herein, we present a theoretical study that explores the electronic structure of this novel type of organic semiconductor. The highly symmetric-solid state material behaves as a one-dimensional electronic system with strong antiferromagnetic interactions (coupling constant>200 cm(-1) ). The unique shape and local dipole of this redox-active fused electron D-A molecule lays the basis for further investigations of the collective electronic structure, mainly in the function of different counterions embedded in the crystalline lattice. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. 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.

  19. 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.

  20. Emergent organization in a model market

    CERN Document Server

    Yadav, Avinash Chand; Ramaswamy, Ramakrishna

    2016-01-01

    We study the collective behavior of interacting agents in a simple model of market economics originally introduced by N{\\o}rrelykke 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. We study this model market on regular lattices in two--dimension as well as on random complex networks; in the critical state 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.

  1. Progress on Analytical Modeling of Coherent Electron Cooling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, G.; Blaskiewicz, M.; Litvinenko, V.; Webb, S.

    2010-05-23

    We report recent progresses on analytical studies of Coherent Electron Cooling. The phase space electron beam distribution obtained from the 1D FEL amplifier is applied to an infinite electron plasma model and the electron density evolution inside the kicker is derived. We also investigate the velocity modulation in the modulator and obtain a closed form solution for the current density evolution for infinite homogeneous electron plasma.

  2. Self-organized model of cascade spreading

    Science.gov (United States)

    Gualdi, S.; Medo, M.; Zhang, Y.-C.

    2011-01-01

    We study simultaneous price drops of real stocks and show that for high drop thresholds they follow a power-law distribution. To reproduce these collective downturns, we propose a minimal self-organized model of cascade spreading based on a probabilistic response of the system elements to stress conditions. This model is solvable using the theory of branching processes and the mean-field approximation. For a wide range of parameters, the system is in a critical state and displays a power-law cascade-size distribution similar to the empirically observed one. We further generalize the model to reproduce volatility clustering and other observed properties of real stocks.

  3. Recursive self-organizing network models.

    Science.gov (United States)

    Hammer, Barbara; Micheli, Alessio; Sperduti, Alessandro; Strickert, Marc

    2004-01-01

    Self-organizing models constitute valuable tools for data visualization, clustering, and data mining. Here, we focus on extensions of basic vector-based models by recursive computation in such a way that sequential and tree-structured data can be processed directly. The aim of this article is to give a unified review of important models recently proposed in literature, to investigate fundamental mathematical properties of these models, and to compare the approaches by experiments. We first review several models proposed in literature from a unifying perspective, thereby making use of an underlying general framework which also includes supervised recurrent and recursive models as special cases. We shortly discuss how the models can be related to different neuron lattices. Then, we investigate theoretical properties of the models in detail: we explicitly formalize how structures are internally stored in different context models and which similarity measures are induced by the recursive mapping onto the structures. We assess the representational capabilities of the models, and we shortly discuss the issues of topology preservation and noise tolerance. The models are compared in an experiment with time series data. Finally, we add an experiment for one context model for tree-structured data to demonstrate the capability to process complex structures.

  4. Theory and modeling of electron fishbones

    Science.gov (United States)

    Vlad, G.; Fusco, V.; Briguglio, S.; Fogaccia, G.; Zonca, F.; Wang, X.

    2016-10-01

    Internal kink instabilities exhibiting fishbone like behavior have been observed in a variety of experiments where a high energy electron population, generated by strong auxiliary heating and/or current drive systems, was present. After briefly reviewing the experimental evidences of energetic electrons driven fishbones, and the main results of linear and nonlinear theory of electron fishbones, the results of global, self-consistent, nonlinear hybrid MHD-Gyrokinetic simulations will be presented. To this purpose, the extended/hybrid MHD-Gyrokinetic code XHMGC will be used. Linear dynamics analysis will enlighten the effect of considering kinetic thermal ion compressibility and diamagnetic response, and kinetic thermal electrons compressibility, in addition to the energetic electron contribution. Nonlinear saturation and energetic electron transport will also be addressed, making extensive use of Hamiltonian mapping techniques, discussing both centrally peaked and off-axis peaked energetic electron profiles. It will be shown that centrally peaked energetic electron profiles are characterized by resonant excitation and nonlinear response of deeply trapped energetic electrons. On the other side, off-axis peaked energetic electron profiles are characterized by resonant excitation and nonlinear response of barely circulating energetic electrons which experience toroidal precession reversal of their motion.

  5. Image pixel device using integrated organic electronic components

    Science.gov (United States)

    Swathi, K.; Narayan, K. S.

    2016-11-01

    We report a solution processed, monolithically integrated device similar to an imaging pixel element used in complementary metal-oxide semiconductor (CMOS) based cameras. This integrated pixel essentially consists of a pair of organic photodiode (OPD) and organic field effect transistor (OFET). The signal generated by the light responsive OPD drives the OFET to different output states to quantify the light intensity. The prerequisite of a low operating voltage OFET (polymer semiconductor and a self-assembled hybrid dielectric layer. A bulk heterojunction blend was used as the photo-active layer in the OPD along with suitable buffer layers for charge extraction. The material parameters were optimized to realize a suitable structure which clearly demonstrated the interplay of the OPD and OFET operations, thereby forming a roadmap for all-organic CMOS arrays.

  6. 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.

  7. Characteristic energy losses of electrons in organic NTCDA-films

    CERN Document Server

    Komolov, S A; Sidorenko, A G; Alyaev, Y G; Novolodskij, V A

    2001-01-01

    The studies on the characteristic energy losses of slow electrons in the NTCDA thin film on the ZnO (0001) surface are presented. It is shown, that the spectrum of the energy losses (E sub p =4.0; 5.6; 12.5 and 14.5 eV) in the area of low energies (< 60 eV) reflects the structure of transitions between the valency zone and the conductivity zone. The energy losses on the plasma oscillations excitation the excitation of pi-plasmon with the energy of 6.5 eV and excitation of the pi-sigma plasmon with the energy of 25 eV become prevailing with the growth of the initial electrons energy

  8. Peculiarity of Thiophene/Graphene interface for organic electronic applications

    Science.gov (United States)

    Goumri-Said, Souraya

    Interfacial study between thiophene molecule and graphene surface is investigated on the basis of density functional theory. The reported HOMO-LUMO energy gaps, adsorption energy as well as binding energy are showing the existence of intermolecular forces accumulated from the attractive van der Waals forces and Pauli repulsion forces. The interface's separation distance is varied from 1.00Å to 2.50Å. It is noted that, subsequently growing intermolecular forces are very sensitive even to a relatively small change in the interface's separation distance between the molecule and the surface. The electronic density of states, dense electrons population of the thiophene/graphene system is found to be at energy Fermi level with appearance of spin-polarization. A slight magnetic behaviour on thiophene molecule, accompanied by a decrease in the magnetization of graphene surface was observed in the presence of the molecule near to the surface.

  9. An electron-accepting molecular unit exhibiting an orientational preference favorable for organic photovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Akaike, Kouki, E-mail: kakaike@physik.hu-berlin.de [RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Ando, Shinji; Enozawa, Hideo [RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Kosaka, Atsuko; Kajitani, Takashi [RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Chemical Resources Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Fukushima, Takanori, E-mail: fukushima@res.titech.ac.jp [RIKEN Advanced Science Institute, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Chemical Resources Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan)

    2015-05-29

    Control of molecular orientation of organic semiconductor is essential for efficient light absorption and charge-carrier transport in organic optoelectronic devices. We synthesized compound 1 as a fundamental electron-accepting building block for the design of n-type semiconductors and conducting polymers. We found that this molecule, upon evaporation onto a substrate such as SiO{sub 2} and electron-donor films, spontaneously assembles with a face-on orientation relative to the substrate surface. This orientation is favorable for thin-film organic photovoltaics. Despite relatively small π-conjugation, 1 showed strong absorption in visible-light region and an appropriate lowest unoccupied molecular orbital energy for electron transfer with electron donors including copper phthalocyanine and poly(3-hexylthiophene). Accordingly, thin-film devices, fabricated using 1 and electron donors, exhibited a clear photovoltaic response. This suggests that compound 1 provides a promising building block for the development of active materials in organic photovoltaics. - Highlights: • An electron acceptor (1) featuring an indacenetetraone core was designed. • Acceptor 1 exhibits strong electronic absorption in visible-light region. • Acceptor 1 spontaneously adopts face-on orientation on SiO{sub 2} and organic substrates. • Thin film of 1 shows an n-type semiconducting property. • Electron donor/1 bilayer films display a clear photovoltaic response.

  10. Molecular orientation and electronic structure at organic heterojunction interfaces

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-01

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

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

    DEFF Research Database (Denmark)

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

    2012-01-01

    bands can be achieved in organic semiconductors provided that one properly accounts for the coupling to molecular vibrational modes and the presence of disorder. Our findings rationalize the growing experimental evidence that even the best band structure theories based on a many-body treatment...

  12. A Theory of Electronic Propinquity: Mediated Communication in Organizations

    Science.gov (United States)

    Korzenny, Felipe

    1978-01-01

    Proposes a theoretical approach to mediated communication in organizations suggesting that man-machine interface in mediated human communication is more effectively dealt with by using a comprehensive theoretical approach rather than separate communication devices that are tested as they appear in the market. (MH)

  13. Two state electron model for geminate recombination of electron-ion pairs in liquid isooctane

    Energy Technology Data Exchange (ETDEWEB)

    Lukin, L.V., E-mail: lukin@binep.ac.ru [Institute of Energy Problems of Chemical Physics (Branch), Russian Academy of Sciences, Chernogolovka, P.O. Box 56, Moscow oblast 142432 (Russian Federation); Yakovlev, B.S. [Institute of Energy Problems of Chemical Physics (Branch), Russian Academy of Sciences, Chernogolovka, P.O. Box 56, Moscow oblast 142432 (Russian Federation)

    2011-04-28

    Graphical abstract: M + n . h{nu} {yields} mobile electron {yields} trapped electron {yields} free charges. Research highlights: {yields} Electrons produced by ionization of liquid alkanes are trapped near positive ions. {yields} The recombination kinetics was expressed in terms of a trapped electron life time. {yields} Transient absorption after the ionizing pulse was analyzed for liquid isooctane. {yields} The life time of trapped electrons was found. - Abstract: Recombination kinetics of geminate electron-ion pairs is considered in the framework of the two state model for electron transport in liquid hydrocarbons. It is shown that the model well reproduces recent experimental data on the subpicosecond geminate recombination obtained in liquid isooctane. The life time of electrons in a localized state in isooctane is estimated to lie in the range between 0.14 ps and 0.57 ps at room temperature.

  14. 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.

  15. 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 Schr odinger-Poisson (SP) simulation (Abstract shortened by ProQuest.

  16. 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

  17. Electron microscopy and theoretical modeling of cochleates.

    Science.gov (United States)

    Nagarsekar, Kalpa; Ashtikar, Mukul; Thamm, Jana; Steiniger, Frank; Schacher, Felix; Fahr, Alfred; May, Sylvio

    2014-11-11

    Cochleates are self-assembled cylindrical condensates that consist of large rolled-up lipid bilayer sheets and represent a novel platform for oral and systemic delivery of therapeutically active medicinal agents. With few preceding investigations, the physical basis of cochleate formation has remained largely unexplored. We address the structure and stability of cochleates in a combined experimental/theoretical approach. Employing different electron microscopy methods, we provide evidence for cochleates consisting of phosphatidylserine and calcium to be hollow tubelike structures with a well-defined constant lamellar repeat distance and statistically varying inner and outer radii. To rationalize the relation between inner and outer radii, we propose a theoretical model. Based on the minimization of a phenomenological free energy expression containing a bending, adhesion, and frustration contribution, we predict the optimal tube dimensions of a cochleate and estimate ratios of material constants for cochleates consisting of phosphatidylserines with varied hydrocarbon chain structures. Knowing and understanding these ratios will ultimately benefit the successful formulation of cochleates for drug delivery applications.

  18. 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

    2016-12-01

    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.

  19. Electronic Properties of Organic Semiconductors Based on Nonconjugated Polymers

    Institute of Scientific and Technical Information of China (English)

    A.N.Lachinov

    2007-01-01

    1 Results The paper presented review of experimental results on the charge transport study in the polymer materials,possessed charge instability.The base of these materials is noncojugated polyaromatic compounds.Characteristic feature these materials is a wide of band gap up to 4.3 eV and the value of first ionization potential about 6 eV.Electronic energetic parameters like these are typical for insulator materials.However it was established that there are not only hopping mechanism of charge transpor...

  20. The human chromosome. Electron microscopic observations on chromatin fiber organization.

    Science.gov (United States)

    Abuelo, J G; Moore, D E

    1969-04-01

    Human lymphocytes were grown in short-term tissue culture and were arrested in metaphase with Colcemid. Their chromosomes were prepared by the Langmuir trough-critical point drying technique and were examined under the electron microscope. In addition, some chromosomes were digested with trypsin, Pronase, or DNase. The chromosomes consist entirely of tightly packed, 240 +/- 50-A chromatin fibers. Trypsin and Pronase treatments induce relaxation of fiber packing and reveal certain underlying fiber arrangements. Furthermore, trypsin treatment demonstrates that the chromatin fiber has a 25-50 A trypsin-resistant core surrounded by a trypsin-sensitive sheath. DNase digestion suggests that this core contains DNA.

  1. Modeling plasmonic efficiency enhancement in organic photovoltaics.

    Science.gov (United States)

    Taff, Y; Apter, B; Katz, E A; Efron, U

    2015-09-10

    Efficiency enhancement of bulk heterojunction (BHJ) organic solar cells by means of the plasmonic effect is investigated by using finite-difference time-domain (FDTD) optical simulations combined with analytical modeling of exciton dissociation and charge transport efficiencies. The proposed method provides an improved analysis of the cell performance compared to previous FDTD studies. The results of the simulations predict an 11.8% increase in the cell's short circuit current with the use of Ag nano-hexagons.

  2. Self-organized model of cascade spreading

    CERN Document Server

    Gualdi, Stanislao; Zhang, Yi-Cheng

    2010-01-01

    We study simultaneous price drops of real stocks and show that for high drop thresholds they follow a power-law distribution. To reproduce these collective downturns, we propose a self-organized model of cascade spreading based on a probabilistic response of the system's elements to stress conditions. This model is solvable using the theory of branching processes and the mean-field approximation and displays a power-law cascade-size distribution-similar to the empirically observed one-over a wide range of parameters.

  3. Synthesis of cyclobutane lignans via an organic single electron oxidant–electron relay system†

    Science.gov (United States)

    Riener, Michelle; Nicewicz, David A.

    2013-01-01

    A direct method to synthesize lignan cyclobutanes and analogs via photoinduced electron transfer is presented. A variety of oxygenated alkenes are employed to furnish terminal or substituted cyclobutane adducts with complete regiocontrol, yielding cycloadducts with trans stereochemistry. Key to minimizing competing cycloreversion is the inclusion of an aromatic electron relay (ER). This method has been adapted to the synthesis of the natural products magnosalin and pellucidin A. PMID:24349680

  4. Geometry Modeling of an Electronic Expansion Valve Head

    Institute of Scientific and Technical Information of China (English)

    张川; 马善伟; 陈江平; 陈芝久; 陈文勇; 王健

    2004-01-01

    This paper proposed that the flow characteristic of electronic expansion valve should be adapted to the evaporator superheat gain to refrigerant flow rate under different working conditions. Two native methods of geometry modeling of electronic expansion valve head were introduced. By analysis of them, some shortcoming was detected and a universal modeling method of electronic expansion valve head was put forward. Through this model, the flow characteristic of EEV and the influence factors can be investigated more deeply.

  5. Electron--electron double resonance study of magnetic energy transfer between trapped electrons and radicals in organic glasses: Relation between dipolar cross relaxation times and dipolar interaction distances

    Energy Technology Data Exchange (ETDEWEB)

    Lin, D.P.; Feng, D.F.; Ngo, F.Q.H.; Kevan, L.

    1976-11-15

    Electron--electron double resonance (ELDOR) has been used to measure cross-relaxation times between trapped electrons and trapped radicals produced by ..gamma.. irradiation of 2-methyltetrahydrofuran and 3-methylhexane organic glasses. The cross-relaxation times are measured as a function of temperature, radiation dose, and the frequency difference ..delta..f of the microwave frequencies used. The cross-relaxation times are nearly temperature independent and depend on ..delta..f/sup 2/ at doses where the spin concentrations approach uniformity; these features indicate the dominance of single step over multistep cross-relaxation processes. Equations have been derived to relate the dipolar cross-relaxation distance to the measured cross-relaxation times, and it is suggested that the cross-relaxation line shape is Lorentzian in magnetically dilute systems. Typical electron--radical correlation distances in these organic glasses are 10 A. (AIP)

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

    Science.gov (United States)

    Campbell, Michael G; Dincă, Mircea

    2017-05-12

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

  7. Electron impact ionization of tungsten ions in a statistical model

    Science.gov (United States)

    Demura, A. V.; Kadomtsev, M. B.; Lisitsa, V. S.; Shurygin, V. A.

    2015-01-01

    The statistical model for calculations of the electron impact ionization cross sections of multielectron ions is developed for the first time. The model is based on the idea of collective excitations of atomic electrons with the local plasma frequency, while the Thomas-Fermi model is used for atomic electrons density distribution. The electron impact ionization cross sections and related ionization rates of tungsten ions from W+ up to W63+ are calculated and then compared with the vast collection of modern experimental and modeling results. The reasonable correspondence between experimental and theoretical data demonstrates the universal nature of statistical approach to the description of atomic processes in multielectron systems.

  8. 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.

  9. Two state electron model for geminate recombination of electron-ion pairs in liquid isooctane

    Science.gov (United States)

    Lukin, L. V.; Yakovlev, B. S.

    2011-04-01

    Recombination kinetics of geminate electron-ion pairs is considered in the framework of the two state model for electron transport in liquid hydrocarbons. It is shown that the model well reproduces recent experimental data on the subpicosecond geminate recombination obtained in liquid isooctane. The life time of electrons in a localized state in isooctane is estimated to lie in the range between 0.14 ps and 0.57 ps at room temperature.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-07-01

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

  11. Theories on Frustrated Electrons in Two-Dimensional Organic Solids

    Directory of Open Access Journals (Sweden)

    Chisa Hotta

    2012-08-01

    Full Text Available Two-dimensional quarter-filled organic solids are a promising class of materials to realize the strongly correlated insulating states called dimer Mott insulator and charge order. In their conducting layer, the molecules form anisotropic triangular lattices, harboring geometrical frustration effect, which could give rise to many interesting states of matter in the two insulators and in the metals adjacent to them. This review is concerned with the theoretical studies on such issue over the past ten years, and provides the systematic understanding on exotic metals, dielectrics, and spin liquids, which are the consequences of the competing correlation and fluctuation under frustration.

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

    Science.gov (United States)

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

    2016-03-01

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

  13. Transition metal oxides for organic electronics: energetics, device physics and applications.

    Science.gov (United States)

    Meyer, Jens; Hamwi, Sami; Kröger, Michael; Kowalsky, Wolfgang; Riedl, Thomas; Kahn, Antoine

    2012-10-23

    During the last few years, transition metal oxides (TMO) such as molybdenum tri-oxide (MoO(3) ), vanadium pent-oxide (V(2) O(5) ) or tungsten tri-oxide (WO(3) ) have been extensively studied because of their exceptional electronic properties for charge injection and extraction in organic electronic devices. These unique properties have led to the performance enhancement of several types of devices and to a variety of novel applications. TMOs have been used to realize efficient and long-term stable p-type doping of wide band gap organic materials, charge-generation junctions for stacked organic light emitting diodes (OLED), sputtering buffer layers for semi-transparent devices, and organic photovoltaic (OPV) cells with improved charge extraction, enhanced power conversion efficiency and substantially improved long term stability. Energetics in general play a key role in advancing device structure and performance in organic electronics; however, the literature provides a very inconsistent picture of the electronic structure of TMOs and the resulting interpretation of their role as functional constituents in organic electronics. With this review we intend to clarify some of the existing misconceptions. An overview of TMO-based device architectures ranging from transparent OLEDs to tandem OPV cells is also given. Various TMO film deposition methods are reviewed, addressing vacuum evaporation and recent approaches for solution-based processing. The specific properties of the resulting materials and their role as functional layers in organic devices are discussed.

  14. Branched terthiophenes in organic electronics: from small molecules to polymers.

    Science.gov (United States)

    Scheuble, Martin; Goll, Miriam; Ludwigs, Sabine

    2015-01-01

    A zoo of chemical structures is accessible when the branched unit 2,2':3',2″-terthiophene (3T) is included both in structurally well-defined small molecules and polymer-like architectures. The first part of this review article highlights literature on all-thiophene based branched oligomers including dendrimers as well as combinations of 3T-units with functional moieties for light-harvesting systems. Motivated by the perfectly branched macromolecular dendrimers both electropolymerization as well as chemical approaches are presented as methods for the preparation of branched polythiophenes with different branching densities. Structure-function relationships between the molecular architecture and optical and electronic properties are discussed throughout the article.

  15. 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 Electronics,"…

  16. Accountability Analysis of Electronic Commerce Protocols by Finite Automaton Model

    Institute of Scientific and Technical Information of China (English)

    Xie Xiao-yao; Zhang Huan-guo

    2004-01-01

    The accountability of electronic commerce protocols is an important aspect to insures security of electronic transaction. This paper proposes to use Finite Automaton (FA) model as a new kind of framework to analyze the trans action protocols in the application of electronic commerce.

  17. Solution-processable organic dielectrics for graphene electronics

    Science.gov (United States)

    Mattevi, Cecilia; Colléaux, Florian; Kim, HoKwon; Lin, Yen-Hung; Park, Kyung T.; Chhowalla, Manish; Anthopoulos, Thomas D.

    2012-08-01

    We report the fabrication, at low-temperature, of solution processed graphene transistors based on carefully engineered graphene/organic dielectric interfaces. Graphene transistors based on these interfaces show improved performance and reliability when compared with traditional SiO2 based devices. The dielectric materials investigated include Hyflon AD (Solvay), a low-k fluoropolymer, and various organic self-assembled monolayer (SAM) nanodielectrics. Both types of dielectric are solution processed and yield graphene transistors with similar operating characteristics, namely high charge carrier mobility, hysteresis free operation, negligible doping effect and improved operating stability as compared to bare SiO2 based devices. Importantly, the use of SAM nanodielectrics enables the demonstration of low operating voltage ( < |1.5| V), solution-processable and flexible graphene transistors with tunable doping characteristics through molecular engineering of the SAM’s molecular length and terminal group. The work is a significant step towards graphene microelectronics where large-volume and low-temperature processing are required.

  18. 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.

  19. PREFACE: India-Japan Workshop on Biomolecular Electronics & Organic Nanotechnology for Environment Preservation

    Science.gov (United States)

    Onoda, Mitsuyoshi; Malhotra, Bansi D.

    2012-04-01

    The 'India-Japan Workshop on Biomolecular Electronics & Organic Nanotechnology for Environment Preservation' (IJWBME 2011) will be held on 7-10 December 2011 at EGRET Himeji, Himeji, Hyogo, Japan. This workshop was held for the first time on 17-19 December 2009 at NPL, New Delhi. Keeping in mind the importance of organic nanotechnology and biomolecular electronics for environmental preservation and their anticipated impact on the economics of both the developing and the developed world, IJWBME 2009 was jointly organized by the Department of Biological Functions, Graduate School of Life Sciences and Systems Engineering, the Kyushu Institute of Technology (KIT), Kitakyushu, Japan, and the Department of Science & Technology Centre on Biomolecular Electronics (DSTCBE), National Physical Laboratory (NPL). Much progress in the field of biomolecular electronics and organic nanotechnology for environmental preservation is expected for the 21st Century. Organic optoelectronic devices, such as organic electroluminescent devices, organic thin-film transistors, organic sensors, biological systems and so on have especially attracted much attention. The main purpose of this workshop is to provide an opportunity for researchers interested in biomolecular electronics and organic nanotechnology for environmental preservation, to come together in an informal and friendly atmosphere and exchange technical knowledge and experience. We are sure that this workshop will be very useful and fruitful for all participants in summarizing the recent progress in biomolecular electronics and organic nanotechnology for environmental preservation and preparing new ground for the next generation. Many papers have been submitted from India and Japan and more than 30 papers have been accepted for presentation. The main topics of interest are as follows: Bioelectronics Biomolecular Electronics Fabrication Techniques Self-assembled Monolayers Nano-sensors Environmental Monitoring Organic Devices

  20. Monoenergetic electron parameters in a spheroid bubble model

    Institute of Scientific and Technical Information of China (English)

    H.Sattarian; Sh.Rahmatallahpur; T.Tohidi

    2013-01-01

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

  1. Modelling of electron beam absorption in complex geometries

    Science.gov (United States)

    Klassen, Alexander; Bauereiß, Andreas; Körner, Carolin

    2014-02-01

    Computational modelling of processes that involve highly energetic electrons like electron beam melting, welding, drilling or electron beam lithography, to name but a few, requires information about the attenuation of the electron beam as it passes through the sample. Depth-dose curves as a function of electron energy, target material as well as local surface obliquity have to be provided in situ during the calculation. The most efficient way to address this issue is by employing mathematical expressions. Therefore, we propose an electron beam model based on a set of semi-empirical equations available from different published literature and on theoretical considerations. Particular stress is thereby put on accuracy and the range of validity of the theoretical approach by comparison with experimental data. Finally, we apply our model to powder-bed based additive manufacturing. The numerical results demonstrate that electron beam absorption and depth of penetration have a strong influence on the quality of the fabricated product.

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

    DEFF Research Database (Denmark)

    Lévay, B.; Mogensen, O. E.

    1980-01-01

    By means of the positron lifetime technique we have measured positronium (Ps) yields in mixtures of nonpolar liquids with various electron scavengers which bind the electron fairly weakly (1–2 eV) in stable anions. The results are discussed with reference to recent excess electron works, and new...... 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...

  3. 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.

  4. Structural analysis of organic films by electron diffraction at high and low energy

    Science.gov (United States)

    Stevens, Michael Richard

    This dissertation concerns the importance of electron diffraction as a structural tool in the analysis of organic crystalline materials, focusing on those specimens for which X-ray analysis is insufficient. It extends the range of knowledge needed for solving common problems that occur in such analysis: sample preparation, damage processes, extraction of crystallographic phases, and specimen irregularities. This research reports the first direct measurement of electron beam damage in transmission for beam energies below the carbon-K edge and in part extends the research of Howie, Isaacson, Fryer, and others. Here, it is confirmed that a correlation exists between the carbon-K shell ionization and the damage cross section by direct measurement of spot fading in transmission at beam energies ranging from 200eV to 1000eV. The threshold in damage was directly measured confirming the hypothesis linking K shell ionization to damage in the aromatic specimens; however, for the aliphatic specimens, the threshold effects were not as significant, indicating the importance of other damage processes which are explained. Calculations based on the experimental data show a region of beam energy which may be utilized to image single molecules, in contradiction to previous theory. Utilizing energy filtering, Kohler mode, cryo-microscopy, and standard low-dose techniques, the structures of two organic specimens which could not be solved by X-ray are solved by electron diffraction. These specimens exhibited high sensitivity to the electron beam and were thought good candidates for the project. The first is a Diacetylene polymer 1,2 bis (10,12 tricosadiynoyl)-sn-glycero-3phosphocholine (DC89PC) with a large unit cell, here only a partial structure solution was possible by Direct Methods (DM) phasing and chemical modeling. The full solution will require new sample preparation techniques. Film bending was observed directly, and the resulting effects to the diffraction data are explained

  5. Recent progress of high performance polymer OLED and OPV materials for organic printed electronics

    Science.gov (United States)

    Sekine, Chizu; Tsubata, Yoshiaki; Yamada, Takeshi; Kitano, Makoto; Doi, Shuji

    2014-06-01

    The development of organic printed electronics has been expanding to a variety of applications and is expected to bring innovations to our future life. Along with this trend, high performance organic materials with cost-efficient fabrication processes and specific features such as thin, light weight, bendable, and low power consumption are required. A variety of organic materials have been investigated in the development of this field. The basic guidelines for material design and the recent progress of polymer-based organic light-emitting diodes (OLEDs) and organic photovoltaic cells (OPVs) are reported.

  6. 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.

  7. MODEL ORGANISMS USED IN MOLECULAR BIOLOGY OR MEDICAL RESEARCH

    OpenAIRE

    Pandey Govind

    2011-01-01

    A model organism is a non-human species that is studied to understand specific biological phenomena with the expectation that investigations made in the organism model will provide insight into the workings of other organisms. The model organisms are widely used to explore potential causes and treatments for human as well as animal diseases when experiments on animals or humans would be unfeasible or considered less ethical. Studying model organisms may be informative, but care must be taken ...

  8. Spintronic and Electronic Phenomena in Organic Molecules Measured with μSR

    Science.gov (United States)

    Wang, Ke; Schulz, Leander; Willis, Maureen; Zhang, Sijie; Misquitta, Alston J.; Drew, Alan J.

    2016-09-01

    The use of implanted muons to probe the spin dynamics and electronic excitations in organic materials is reviewed. At first, a brief introduction to the historical context and background of the muon technique is given, followed by an outline of some of the underlying theoretical models needed to quantitatively interpret data taken on organic molecules. Caution is advised when using certain theoretical models for the interpretation of low-field spin relaxation data. The next section deals with spin dynamics in soft materials, and starts with discussing many of the key results in thin films, followed by a review of bulk measurements in three different materials classes — polymers, biologically active molecules, and small molecules. Finally, we present a detailed discussion of the density functional theory methodology when applied to μSR, and present the common issues encountered when trying to perform these calculations to support muon experiments. In particular, we discuss a method for benchmarking to manage the approximations inherent to the technique and common sources of errors that can sometimes fortuitously cancel.

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

    Directory of Open Access Journals (Sweden)

    Luis R. Domingo

    2016-09-01

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

  11. Organic light emitting diodes using magnesium doped organic acceptor as electron injection layer and silver as cathode

    Institute of Scientific and Technical Information of China (English)

    Cao Guo-Hua; Qin Da-Shan; Guan Min; Cao Jun-Song; Zeng Yi-Ping; Li Jin-Min

    2008-01-01

    Organic light emitting diodes employing magnesium doped electron aceeptor 3,4,9,10 perylenetetracarboxylic dianhydride (Mg:PTCDA) as electron injection layer and silver as cathode were demonstrated. As compared to Mg:Ag cathode,the combination of the Mg:PTCDA layer and silver provided enhanced electron injection into tris (8-quinolinolato) aluminium.The device with 1:2 Mg:PTCDA and Ag showed an increase of about 12% in the maximum current efficiency,mainly due to the improved hole-electron balance,and an increase of about 28% in the maximum power efficiency,as compared to the control device using Mg:Ag cathode.The properties of Mg:PTCDA composites were studied as well.

  12. 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.

  13. Chemical Defects and Electronics States in Organic Semiconductors

    Science.gov (United States)

    2008-05-31

    binding is indeed larger in PATT than in PBTTT (by 40%). Colleagues at PARC and Imperial College ( lain McCulloch) have characterized the properties of...P A TT and a paper including theoretical and experimental results (mobility, structure, and thermal properties) was submitted for publication. (J. E...acceptors. This model explains for the first time why exposure of pentacene to oxygen in the presence of an electric field leads top-type doping of the

  14. 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.

  15. Nanostructured organic electronic materials: Synthesis and sensor applications

    Science.gov (United States)

    Dua, Vineet

    2009-12-01

    This study is an investigation into (a) the process by which one obtains bulk quantities of nanofibers of parent polythiophene, (b) in-situ deposition of nanofibers of polythiophene on flexible substrate and its application in vapor sensing, and (c) inkjet printing of graphene on flexible substrate and its application as a detector. (a) The 2 nd chapter of the thesis is an extension of "seeding" method from aqueous to organic solvents to synthesize parent polythiophene nanofibers. Bulk quantities of parent polythiophene nanofibers were synthesized in one step using catalytic amounts of freeze dried V2O5. This work is published in Chemistry Letters 2008 37(5), 526--527. (b) The 3rd chapter deals with in-situ films of polythiophene nanofibers on plastic substrates. In this a one step method to directly deposit nanofibers of parent polythiophene on flexible substrate is discussed. These films show a reversible detection of highly oxidizing vapors such as NO2, Cl2 and SO 2 at ppb levels under ambient conditions. This work is published in Macromolecules 2009, 42, 5414--5415. (c) The 4 th chapter describes the synthesis of reduced graphene oxide (RGO) using a mild reducing agent ascorbic acid (Vitamin C) rather than traditionally used harsh reducing agents (N2H4). Dispersions of RGO were inkjet printed on flexible substrate and has been shown to detect aggressive vapors NO2 and Cl2 at ambient conditions. This work is accepted for publication in Angewandte Chemie (Nov 2009).

  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. Expanding on Successful Concepts, Models, and Organization

    Energy Technology Data Exchange (ETDEWEB)

    Teeguarden, Justin G.; Tan, Yu-Mei; Edwards, Stephen W.; Leonard, Jeremy A.; Anderson, Kim A.; Corley, Richard A.; Kile, Molly L.; L. Massey Simonich, Staci; Stone, David; Tanguay, Robert L.; Waters, Katrina M.; Harper, Stacey L.; Williams, David E.

    2016-09-06

    In her letter to the editor1 regarding our recent Feature Article “Completing the Link between Exposure Science and Toxicology for Improved Environmental Health Decision Making: The Aggregate Exposure Pathway Framework” 2, Dr. von Göetz expressed several concerns about terminology, and the perception that we propose the replacement of successful approaches and models for exposure assessment with a concept. We are glad to have the opportunity to address these issues here. If the goal of the AEP framework was to replace existing exposure models or databases for organizing exposure data with a concept, we would share Dr. von Göetz concerns. Instead, the outcome we promote is broader use of an organizational framework for exposure science. The framework would support improved generation, organization, and interpretation of data as well as modeling and prediction, not replacement of models. The field of toxicology has seen the benefits of wide use of one or more organizational frameworks (e.g., mode and mechanism of action, adverse outcome pathway). These frameworks influence how experiments are designed, data are collected, curated, stored and interpreted and ultimately how data are used in risk assessment. Exposure science is poised to similarly benefit from broader use of a parallel organizational framework, which Dr. von Göetz correctly points out, is currently used in the exposure modeling community. In our view, the concepts used so effectively in the exposure modeling community, expanded upon in the AEP framework, could see wider adoption by the field as a whole. The value of such a framework was recognized by the National Academy of Sciences.3 Replacement of models, databases, or any application with the AEP framework was not proposed in our article. The positive role broader more consistent use of such a framework might have in enabling and advancing “general activities such as data acquisition, organization…,” and exposure modeling was discussed

  18. Modeling disordered morphologies in organic semiconductors.

    Science.gov (United States)

    Neumann, Tobias; Danilov, Denis; Lennartz, Christian; Wenzel, Wolfgang

    2013-12-05

    Organic thin film devices are investigated for many diverse applications, including light emitting diodes, organic photovoltaic and organic field effect transistors. Modeling of their properties on the basis of their detailed molecular structure requires generation of representative morphologies, many of which are amorphous. Because time-scales for the formation of the molecular structure are slow, we have developed a linear-scaling single molecule deposition protocol which generates morphologies by simulation of vapor deposition of molecular films. We have applied this protocol to systems comprising argon, buckminsterfullerene, N,N-Di(naphthalene-1-yl)-N,N'-diphenyl-benzidine, mer-tris(8-hydroxy-quinoline)aluminum(III), and phenyl-C61-butyric acid methyl ester, with and without postdeposition relaxation of the individually deposited molecules. The proposed single molecule deposition protocol leads to formation of highly ordered morphologies in argon and buckminsterfullerene systems when postdeposition relaxation is used to locally anneal the configuration in the vicinity of the newly deposited molecule. The other systems formed disordered amorphous morphologies and the postdeposition local relaxation step has only a small effect on the characteristics of the disordered morphology in comparison to the materials forming crystals.

  19. 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.

  20. 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...... the need for circuit simulators to evaluate potential designs before fabrication, as integrated circuit prototypes are expensive to build, and troubleshooting is difficult. In this report, we focus on the simulation of printed circuit boards (PCB’s) and interconnects both of which are of great importance...

  1. 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

    Accurate structure factors are extracted from synchrotron powder diffraction data measured on crystalline diamond based on a novel multipole model division of overlapping reflection intensities. The approach limits the spherical-atom bias in structure factors extracted from overlapping powder data...... 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....

  2. Enhanced electronic injection in organic light-emitting diodes by incorporating silver nanoclusters and cesium carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Ying-Chung; Gao, Chia-Yuan [Department of Electrical Engineering, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Chen, Kan-Lin [Department of Electronic Engineering, Fortune Institute of Technology, Kaohsiung, Taiwan (China); Sze, Po-Wen [Department of Electro-Optical Science and Engineering, Kao Yuan University, Kaohsiung, Taiwan (China); Huang, Chien-Jung, E-mail: chien@nuk.edu.tw [Department of Applied Physics, National University of Kaohsiung, Kaohsiung, Taiwan (China)

    2015-10-01

    Highlights: • The localized electric field around SNCs is enhanced. • When the cesium carbonate/silver nanoclusters/cesium carbonate electron-injection structure replaces the cesium carbonate electron-injection structure, higher electron-injection ability is obtained. • The structure for efficient electron injection is critical to characteristics of the device. - Abstract: The influence of the cesium carbonate/silver nanoclusters/cesium carbonate electron-injection structure (CSC-EIS) on the performance of organic light-emitting diodes is investigated in this study. The silver nanoclusters (SNCs) are introduced between the electron-injection layers by means of thermal evaporation. When the CSC-EIS replaces the cesium carbonate electron-injection structure, higher electron-injection ability is obtained because the electron-injection barrier between the cathode and the electron-transport layer is remarkably reduced from 1.2 to 0 eV. In addition, surface plasmon resonance effect will cause the enhanced localized electric field around the SNCs, resulting that electron-injection ability is further enhanced from the cathode to the emitting layer.

  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. Scanning probe microscopy investigation of self-organized perylenetetracarboxdiimide nanostructures at surfaces: structural and electronic properties.

    Science.gov (United States)

    Palermo, Vincenzo; Liscio, Andrea; Gentilini, Desirée; Nolde, Fabian; Müllen, Klaus; Samorì, Paolo

    2007-01-01

    A scanning probe microscopy investigation of the self-organization and local electronic properties of spin-coated ultrathin films of N-alkyl substituted perylenetetracarboxdiimide (PDI) is described. By carefully balancing the interplay between molecule-molecule and molecule-substrate interactions, PDI is able to form highly ordered supramolecular architectures on flat surfaces from solution. On an electrically insulating yet highly polar surface (mica) PDI forms strongly anisotropic architectures with needlelike structures with lengths of up to a few micrometers. On a conductive yet apolar surface (highly oriented pyrolytic graphite), the competition between the strong molecule-substrate interactions and the intermolecular forces leads to the generation of more disordered structures. The local electronic properties of these architectures are studied by Kelvin probe force microscopy by estimating their surface potential (SP). Quantitative measurements of the SP are obtained by analyzing the experimentally estimated SP data with a computational model, which discriminates between the intrinsic SP and the effect of long-range tip-surface interactions. The SP of PDI aggregates depends on the structural order at the supramolecular level. Narrow needles of constant width reveal identical SPs independent of length. Wider needles with a polydisperse width distribution exhibit a greater SP.

  5. 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.

  6. Computer Simulations of Molecular Electronic Devices in Vacuum and in Organic Solvents

    Science.gov (United States)

    Wang, Huachuan

    The main aim of this dissertation is to study the structure and dynamics of molecular electronic devices in vacuum and in solvent environment, with special focus on the mechanical properties and cross-section geometries of the break-junction down to the atomic level. The problem statement relies on how to overcome the limitations of observations from experiments, to interpret and reduce the gap between experiential measurements and theoretical studies. In order to reach this goal, a molecular system involving gold nano-electrodes, organic dithiol molecules and a driving-spring model has been built based on the experimental set-up of the break junction (BJ) technique. This technique can be classified as the mechanical controllable break junction (MCBJ) and scanning tunneling / atomic force microscope break junction (STM/AFM-BJ). We then generated self-assembled monolayers and molecular junctions by combining grand-canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulation. These approaches allow us to calibrate the structure and dynamics of molecular junctions under multiple environmental factors simultaneously. In the final stage, conductance calculations are performed using the density functional theory (DFT) in combination with the Green's function techniques. The intermediate molecular junction structures could be used to perform electronic transport calculations to eventually close the force-structure-conductance loop.

  7. 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...

  8. Organic acid modeling and model validation: Workshop summary. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, T.J.; Eilers, J.M.

    1992-08-14

    A workshop was held in Corvallis, Oregon on April 9--10, 1992 at the offices of E&S Environmental Chemistry, Inc. The purpose of this workshop was to initiate research efforts on the entitled ``Incorporation of an organic acid representation into MAGIC (Model of Acidification of Groundwater in Catchments) and testing of the revised model using Independent data sources.`` The workshop was attended by a team of internationally-recognized experts in the fields of surface water acid-bass chemistry, organic acids, and watershed modeling. The rationale for the proposed research is based on the recent comparison between MAGIC model hindcasts and paleolimnological inferences of historical acidification for a set of 33 statistically-selected Adirondack lakes. Agreement between diatom-inferred and MAGIC-hindcast lakewater chemistry in the earlier research had been less than satisfactory. Based on preliminary analyses, it was concluded that incorporation of a reasonable organic acid representation into the version of MAGIC used for hindcasting was the logical next step toward improving model agreement.

  9. Organic acid modeling and model validation: Workshop summary

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, T.J.; Eilers, J.M.

    1992-08-14

    A workshop was held in Corvallis, Oregon on April 9--10, 1992 at the offices of E S Environmental Chemistry, Inc. The purpose of this workshop was to initiate research efforts on the entitled Incorporation of an organic acid representation into MAGIC (Model of Acidification of Groundwater in Catchments) and testing of the revised model using Independent data sources.'' The workshop was attended by a team of internationally-recognized experts in the fields of surface water acid-bass chemistry, organic acids, and watershed modeling. The rationale for the proposed research is based on the recent comparison between MAGIC model hindcasts and paleolimnological inferences of historical acidification for a set of 33 statistically-selected Adirondack lakes. Agreement between diatom-inferred and MAGIC-hindcast lakewater chemistry in the earlier research had been less than satisfactory. Based on preliminary analyses, it was concluded that incorporation of a reasonable organic acid representation into the version of MAGIC used for hindcasting was the logical next step toward improving model agreement.

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

    Science.gov (United States)

    Turi, László

    2016-04-21

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

  11. A new ONERA-CNES Slot Electron Model.

    OpenAIRE

    Sicart-Piet, A.; Boscher, D.; Lazaro, D.; Bourdarie, S.; G. Rolland

    2013-01-01

    A new model of electron flux in the Slot Region has been developed at ONERA. This model is based on several data sets, low altitudes data as POES or SAC-C measurements, but also data at higher altitudes as HEO1, HEO3, ICO and CRRES measurements. This model provides mean electron flux between L=2 and L=4 for energies between 0.1 MeV and 3 MeV. This model includes a confidence level which takes into account the dynamics of electron flux in the slot region.

  12. Electron-Deficient Dihydroindaceno-Dithiophene Regioisomers for n-Type Organic Field-Effect Transistors.

    Science.gov (United States)

    Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Rault-Berthelot, Joëlle; Jacques, Emmanuel; Poriel, Cyril

    2017-03-08

    In this work, we wish to report the first member of a new family of organic semiconductors constructed on a meta dihydroindacenodithiophene core, that is, 2,2'-(2,8-dihexyl-4,6-dihydro-s-indaceno[1,2-b:7,6-b']dithiophene-4,6-diylidene)dimalononitrile (called meta-IDT(═C(CN)2)2). The properties of this molecule were studied in detail through a structure-properties relationship study with its regioisomer, that is, 2,2'-(2,7-dihexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-4,9-diylidene)dimalononitrile (para-IDT(═C(CN)2)2) (see isomer structures in blue in Chart 2). The influence of the bridge functionalization was also investigated by comparison with their diketone analogues meta-IDT(═O)2 and para-IDT(═O)2. This study sheds light on the impact of regioisomerism on the electronic properties at the molecular level (electrochemistry, absorption spectroscopy, molecular modeling) and also on the supramolecular arrangement, and finally on the organic field-effect transistors (OFET) performances and stabilities. The significant effect of self-assembled monolayers of 4-(dimethylamino)benzenethiol grafted on the gold drain and source electrodes or of the use of flexible substrate (polyethylene naphtalate) instead of glass on the OFET performances and stabilities are also reported. In the light of these results (maximum mobility reaching 7.1 × 10(-2) cm(2) V(-1) cm(-1), high IDon/IDoff of 2.3 × 10(7), and subthreshold swing of 1.2 V/dec), we believe that the present OFETs can be further used to construct electronic circuits.

  13. One carbon metabolism in anaerobic bacteria: Regulation of carbon and electron flow during organic acid production

    Energy Technology Data Exchange (ETDEWEB)

    Zeikus, J.G.; Jain, M.

    1993-12-31

    The project deals with understanding the fundamental biochemical mechanisms that physiologically control and regulate carbon and electron flow in anaerobic chemosynthetic bacteria that couple metabolism of single carbon compounds and hydrogen to the production of organic acids (formic, acetic, butyric, and succinic) or methane. The authors compare the regulation of carbon dioxide and hydrogen metabolism by fermentation, enzyme, and electron carrier analysis using Butyribacterium methylotrophicum, Anaeroblospirillum succiniciproducens, Methanosarcina barkeri, and a newly isolated tri-culture composed of a syntrophic butyrate degrader strain IB, Methanosarcina mazei and Methanobacterium formicicum as model systems. To understand the regulation of hydrogen metabolism during butyrate production or acetate degradation, hydrogenase activity in B. methylotrophicum or M. barkeri is measured in relation to growth substrate and pH; hydrogenase is purified and characterized to investigate number of hydrogenases; their localization and functions; and, their sequences are determined. To understand the mechanism for catabolic CO{sub 2} fixation to succinate the PEP carboxykinase enzyme and gene of A. succiniciproducens are purified and characterized. Genetically engineered strains of Escherichia coli containing the phosphoenolpyruvate (PEP) carboxykinase gene are examined for their ability to produce succinate in high yield. To understand the mechanism of fatty acid degradation by syntrophic acetogens during mixed culture methanogenesis formate and hydrogen production are characterized by radio tracer studies. It is intended that these studies provide strategies to improve anaerobic fermentations used for the production of organic acids or methane and, new basic understanding on catabolic CO{sub 2} fixation mechanisms and on the function of hydrogenase in anaerobic bacteria.

  14. Electronic Stopping Power for 0.05-10 MeV Protons in a Group of Organic Materials

    Institute of Scientific and Technical Information of China (English)

    TAN Zhen-Yu; XIA Yue-Yuan; ZHAO Ming-Wen; LIU Xiang-Dong; ZHANG Li-Ming

    2008-01-01

    Electronic stopping powers for 0.05-10 Me V protons in a group of organic materials are systematically calculated. The calculations are based on Ashley's dielectric model, and an evaluation approach of optical energy loss function is incorporated into Ashley's model because no experimental optical data are available for most of the organic materials under consideration. The Barkas-effect correction and Bloch correction are included. The proton stopping powers for the considered organic materials except for mylar in the energy range from 0.05 to 10 MeV are presented for the first time. The results may be useful for studies of various radiation effects in these materials and for space research.

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

    Energy Technology Data Exchange (ETDEWEB)

    Stadtmüller, Benjamin; Schröder, Sonja [Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany); Jülich-Aachen Research Alliance (JARA) – Fundamentals of Future Information Technology, 52425 Jülich (Germany); Kumpf, Christian, E-mail: c.kumpf@fz-juelich.de [Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany); Jülich-Aachen Research Alliance (JARA) – Fundamentals of Future Information Technology, 52425 Jülich (Germany)

    2015-10-01

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

  16. Modeling Kleinian cosmology with electronic metamaterials

    CERN Document Server

    Figueiredo, David; Fumeron, Sébastien; Berche, Betrand; Moraes, Fernando

    2016-01-01

    This paper deals with the propagation of Klein-Gordon particles in flat background spacetime exhibiting discontinuous metric changes from a Lorentzian signature (-,+,+,+) to a Kleinian signature (-,+,+,-). A formal analogy with the propagation of electrons at a junction between an anisotropic semiconductor and an electronic metamaterial is presented. From that analogy, we study the dynamics of these particles falling onto planar boundary interfaces between these two families of media and show a mirror-like behavior for the particle flux. Finally, the case of a double junction of finite thickness is examined and the possibility of tunneling through it is discussed. A physical link between the metamaterial and the Kleinian slabs is found by calculating the time of flight of the respective traversing particles.

  17. Modeling Kleinian cosmology with electronic metamaterials

    Science.gov (United States)

    Figueiredo, David; Gomes, Felipe A.; Fumeron, Sébastien; Berche, Bertrand; Moraes, Fernando

    2016-08-01

    This paper deals with the propagation of Klein-Gordon particles in flat background spacetime exhibiting discontinuous metric changes from a Lorentzian signature (-,+,+,+) to a Kleinian signature (-,+,+,-) . A formal analogy with the propagation of electrons at a junction between an anisotropic semiconductor and an electronic metamaterial is presented. From that analogy, we study the dynamics of these particles falling onto planar boundary interfaces between these two families of media and show a mirror-like behavior for the particle flux. Finally, the case of a double junction of finite thickness is examined and the possibility of tunneling through it is discussed. A physical link between the metamaterial and the Kleinian slabs is found by calculating the time of flight of the respective traversing particles.

  18. 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.

  19. 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...

  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. Diarylindenotetracenes via a selective cross-coupling/C-H functionalization: electron donors for organic photovoltaic cells.

    Science.gov (United States)

    Gu, Xingxian; Luhman, Wade A; Yagodkin, Elisey; Holmes, Russell J; Douglas, Christopher J

    2012-03-16

    A direct synthesis of new donor materials for organic photovoltaic cells is reported. Diaryindenotetracenes were synthesized utilizing a Kumada-Tamao-Corriu cross-coupling of peri-substituted tetrachlorotetracene with spontaneous indene annulation via C-H activation. Vacuum deposited planar heterojunction organic photovoltaic cells incorporating these molecules as electron donors exhibit power conversion efficiencies exceeding 1.5% with open-circuit voltages ranging from 0.7 to 1.1 V when coupled with C(60) as an electron acceptor.

  2. 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.

  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. 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".

  5. Forecasting relativistic electron flux using dynamic multiple regression models

    Directory of Open Access Journals (Sweden)

    H.-L. Wei

    2011-02-01

    Full Text Available The forecast of high energy electron fluxes in the radiation belts is important because the exposure of modern spacecraft to high energy particles can result in significant damage to onboard systems. A comprehensive physical model of processes related to electron energisation that can be used for such a forecast has not yet been developed. In the present paper a systems identification approach is exploited to deduce a dynamic multiple regression model that can be used to predict the daily maximum of high energy electron fluxes at geosynchronous orbit from data. It is shown that the model developed provides reliable predictions.

  6. A polaron model for electron transfer in globular proteins.

    Science.gov (United States)

    Chuev, G N; Lakhno, V D

    1993-07-07

    Polaron models have been considered for the electron states in protein globules existing in a solvent. These models account for two fundamental effects, viz, polarization interaction of an electron with the conformational vibrations and the heterogeneity of the medium. Equations have been derived to determine the electron state in a protein globule. The parameters of this state show that it is an extended state with an energy of 2 eV. The electron transfer rate for cyt C self-exchange reaction has been calculated in the polaron model. Reorganization energy, tunneling matrix element and the rate constant have also been estimated. The results are compared with experimental data. The influence of model parameters on the significance of the data obtained has been studied. The potentialities of the model are discussed.

  7. Thermal Evolution of Organic Matter in Source Rocks—Experimental and Scanning Electron Microscopic Studies

    Institute of Scientific and Technical Information of China (English)

    姜开侠; 潘小明

    1991-01-01

    Five major froms(lamellar,banded,crack-like,dissceminated and segregated encrustation(of organic matter distribution in sourc rocks have been revealed under scanning electron microscope by using the heavy metal staining technique.The degree of organic impregnation is related to the amount of liquied hydrocarbons in the rocks,and from this relationship a rough estimation of organic matter can be made on the basis of electron microscopic observations.In conjunction with experimental studies it has been found that the distribution forms of organic matter are a function of its maturity in the process of thermal evolution and accordingly some microscopic criteria can be developed for the assessment of source rocks.

  8. Surface Patterning of PEDOT:PSS by Photolithography for Organic Electronic Devices

    Directory of Open Access Journals (Sweden)

    Shihong Ouyang

    2015-01-01

    Full Text Available Along with the development of organic electronics, conductive polymer of PEDOT:PSS has been attracting more and more attention because they possess various novel electrical, optical, and mechanical properties, which render them useful in modern organic optoelectronic devices. Due to its organic nature, it is lightweight and can be fabricated into flexible devices. For better device processing and integrating, it is essential to tune their surface morphologies, and photolithography is the best choice at present. In this paper, current PEDOT:PSS patterning approaches using photolithography are reviewed, and some of our works are also briefly introduced. Appropriate photolithographic patterning process for PEDOT:PSS will enable its application in future organic electronics.

  9. Proton-Coupled Electron Transfer in Organic Synthesis: Fundamentals, Applications, and Opportunities.

    Science.gov (United States)

    Miller, David C; Tarantino, Kyle T; Knowles, Robert R

    2016-06-01

    Proton-coupled electron transfers (PCETs) are unconventional redox processes in which both protons and electrons are exchanged, often in a concerted elementary step. While PCET is now recognized to play a central a role in biological redox catalysis and inorganic energy conversion technologies, its applications in organic synthesis are only beginning to be explored. In this chapter, we aim to highlight the origins, development, and evolution of the PCET processes most relevant to applications in organic synthesis. Particular emphasis is given to the ability of PCET to serve as a non-classical mechanism for homolytic bond activation that is complimentary to more traditional hydrogen atom transfer processes, enabling the direct generation of valuable organic radical intermediates directly from their native functional group precursors under comparatively mild catalytic conditions. The synthetically advantageous features of PCET reactivity are described in detail, along with examples from the literature describing the PCET activation of common organic functional groups.

  10. A new atmospheric aerosol phase equilibrium model (UHAERO: organic systems

    Directory of Open Access Journals (Sweden)

    N. R. Amundson

    2007-09-01

    Full Text Available In atmospheric aerosols, water and volatile inorganic and organic species are distributed between the gas and aerosol phases in accordance with thermodynamic equilibrium. Within an atmospheric particle, liquid and solid phases can exist at equilibrium. Models exist for computation of phase equilibria for inorganic/water mixtures typical of atmospheric aerosols; when organic species are present, the phase equilibrium problem is complicated by organic/water interactions as well as the potentially large number of organic species. We present here an extension of the UHAERO inorganic thermodynamic model (Amundson et al., 2006c to organic/water systems. Phase diagrams for a number of model organic/water systems characteristic of both primary and secondary organic aerosols are computed. Also calculated are inorganic/organic/water phase diagrams that show the effect of organics on inorganic deliquescence behavior. The effect of the choice of activity coefficient model for organics on the computed phase equilibria is explored.

  11. A new atmospheric aerosol phase equilibrium model (UHAERO: organic systems

    Directory of Open Access Journals (Sweden)

    N. R. Amundson

    2007-06-01

    Full Text Available In atmospheric aerosols, water and volatile inorganic and organic species are distributed between the gas and aerosol phases in accordance with thermodynamic equilibrium. Within an atmospheric particle, liquid and solid phases can exist at equilibrium. Models exist for computation of phase equilibria for inorganic/water mixtures typical of atmospheric aerosols; when organic species are present, the phase equilibrium problem is complicated by organic/water interactions as well as the potentially large number of organic species. We present here an extension of the UHAERO inorganic thermodynamic model (Amundson et al., 2006c to organic/water systems. Phase diagrams for a number of model organic/water systems characteristic of both primary and secondary organic aerosols are computed. Also calculated are inorganic/organic/water phase diagrams that show the effect of organics on inorganic deliquescence behavior. The effect of the choice of activity coefficient model for organics on the computed phase equilibria is explored.

  12. Dynamic pricing models for electronic business

    Indian Academy of Sciences (India)

    Y Narahari; C V L Raju; K Ravikumar; Sourabh Shah

    2005-04-01

    Dynamic pricing is the dynamic adjustment of prices to consumers depending upon the value these customers attribute to a product or service. Today’s digital economy is ready for dynamic pricing; however recent research has shown that the prices will have to be adjusted in fairly sophisticated ways, based on sound mathematical models, to derive the benefits of dynamic pricing. This article attempts to survey different models that have been used in dynamic pricing. We first motivate dynamic pricing and present underlying concepts, with several examples, and explain conditions under which dynamic pricing is likely to succeed. We then bring out the role of models in computing dynamic prices. The models surveyed include inventory-based models, data-driven models, auctions, and machine learning. We present a detailed example of an e-business market to show the use of reinforcement learning in dynamic pricing.

  13. 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.

  14. Lattice Boltzmann Model for Electronic Structure Simulations

    CERN Document Server

    Mendoza, M; Succi, S

    2015-01-01

    Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.

  15. Synthesis, photophysical and electrochemical properties of 2,8-diaryl-dibenzothiophene derivatives for organic electronics

    Indian Academy of Sciences (India)

    Pabitra K Nayak; Neeraj Agarwal; N Periasamy

    2010-03-01

    A series of 2,8--diaryldibenzothiophene derivatives were synthesized and characterized. These molecules have electron withdrawing or electron donating groups at the para phenyl position, which alters the electronic properties of these derivatives. The quantum yield, fluorescence lifetime, singlet, triplet and EHOMO energy levels of these compounds were determined by fluorescence, phosphorescence and cyclic voltammetry. A plot of Hammett constants of the para substituents vs EHOMO revealed a linear relationship. The usefulness of these molecules in organic light emitting diodes, OLEDs is discussed vis-à-vis the energy levels and properties.

  16. Organic Power Electronics: Transistor Operation in the kA/cm2 Regime

    Science.gov (United States)

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

    2017-03-01

    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 cm2 V‑1 s‑1, this OPBT device architecture has much more potential if new materials optimized for its geometry will be developed.

  17. Organic Power Electronics: Transistor Operation in the kA/cm(2) Regime.

    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.

  18. Organic Power Electronics: Transistor Operation in the kA/cm2 Regime

    Science.gov (United States)

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

    2017-01-01

    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 cm2 V−1 s−1, this OPBT device architecture has much more potential if new materials optimized for its geometry will be developed. PMID:28303924

  19. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Koh, Ai Leen [Department of Materials Science and Engineering, Stanford University, Durand Building Room 139, 496 Lomita Mall, Stanford, CA 94305 (United States); Stanford Nanocharacterization Laboratory, Stanford University, Stanford, CA 94305 (United States); Department of Mechanical Engineering, Stanford University, Stanford, CA 94305 (United States)], E-mail: alkoh@stanford.edu; Shachaf, Catherine M.; Elchuri, Sailaja; Nolan, Garry P. [Baxter Laboratory in Genetic Pharmacology, Department of Microbiology and Immunology, Stanford University, Stanford, CA 94305 (United States); Sinclair, Robert [Department of Materials Science and Engineering, Stanford University, Durand Building Room 139, 496 Lomita Mall, Stanford, CA 94305 (United States); Stanford Nanocharacterization Laboratory, Stanford University, Stanford, CA 94305 (United States)

    2008-12-15

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

  1. 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…

  2. Electron thermal transport barriers in RTP: experiment and modelling

    NARCIS (Netherlands)

    Schilham, A.M.R.; Hogeweij, G. M. D.; Cardozo, N. J. L.

    2001-01-01

    Experiments in which very localized electron cyclotron heating (ECH) is scanned through the RTP plasma show sharp transitions, in which the electron temperature profile abruptly changes shape. The phenomenology-the profiles shapes, the sharp transitions-can be reproduced with a transport model which

  3. Temperature dependence of electronic heat capacity in Holstein model

    CERN Document Server

    Fialko, N S; Lakhno, V D

    2015-01-01

    The dynamics of charge migration was modeled to calculate temperature dependencies of its thermodynamic equilibrium values such as energy and electronic heat capacity in homogeneous adenine fragments. The energy varies from nearly polaron one at T~0 to midpoint of the conductivity band at high temperatures. The peak on the graph of electronic heat capacity is observed at the polaron decay temperature.

  4. 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…

  5. 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.…

  6. 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.

  7. Model for Railway Infrastructure Management Organization

    Directory of Open Access Journals (Sweden)

    Gordan Stojić

    2012-03-01

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

  8. Knowledge Management Model on Educational Organization

    Directory of Open Access Journals (Sweden)

    Elsina Ferdinandus

    2015-12-01

    Key Words: model, knowledge management, educational organizations Abstrak: Penelitian ini bertujuan mendeskripsikan proses knowledge management yang dilakukan pada SMA Negeri 1 Pulau-pulau Aru dan SMA Yos Sudarso Dobo di Kabupaten Kepulauan Aru. Penelitian ini menggunakan jenis penelitian kualitatif dengan rancangan studi multi kasus. Data dikumpulkan dengan teknik observasi, wawancara mendalam dan dokumentasi kemudian dianalisis dengan teknik analisis data kasus individu dan analisis data lintas kasus. Temuan penelitian ini menggambarkan (1 guru-guru sudah melakukan transformasi pengetahuan explicit to tacit dengan baik ketika melakukan persiapan pembelajaran, transformasi pengetahuan tacit to explicit belum dilakukan dengan baik, dan transformasi pengetahuan tacit to tacit sudah dilakukan dengan baik; (2  sosialisasi dilakukan dengan baik, namun belum maksimal; (3  kepala sekolah SMA Negeri 1 Pulau-pulau Aru lebih demokratis dan kepala sekolah SMA Yos Sudarso Dobo lebih paternalistis; (4 peningkatan berupa upaya memasukan pengetahuan dari luar sekolah sudah dilakukan oleh kedua sekolah; dan (5  proses knowledge capture di kedua sekolah sudah berjalan dengan baik. Kata kunci: model, knowledge management, organisasi pendidikan

  9. Polaron Model of the Formation of Hydrated Electron States

    OpenAIRE

    2015-01-01

    A computer simulation of the formation of photoexcited electrons in water is performed within the framework of a dynamic model. The obtained results are discussed in comparison with experimental data and theoretical estimates.

  10. Blocking layer modeling for temperature analysis of electron transfer ...

    African Journals Online (AJOL)

    Blocking layer modeling for temperature analysis of electron transfer rate in quantum dot sensitized solar cells. ... Journal of Fundamental and Applied Sciences ... of the quantum dots and free energy of system and finally the Marcus equation.

  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. 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

  13. 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

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

    Science.gov (United States)

    Hendrickson, Heidi Phillips

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

  15. 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....

  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. Peculiarities of designing Holistic Electronic Government Services Integration Model

    OpenAIRE

    Tadas Limba

    2011-01-01

    Purpose – the aim ok this paper is to develop a Holistic Electronic Government Services Integration Model which could ensure the efficient integration of electronic government services in the local self-government level. Methodology - the following analyses have been carried out in thirkpaper: theoretical-systematic; normative and conceptual comparative analysis of the researcha A method of modeling has also been applied. Finding – the scientific work analyzes the improvement opportunities of...

  18. 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...... sampling. We show that a significant number of snapshots are needed to avoid artifacts in the calculated electronic circular dichroism parameters due to insufficient configurational sampling, thus highlighting the efficiency of the PE model....

  19. Formal Modelling of Goals in Organizations

    NARCIS (Netherlands)

    Popova, Viara; Sharpanskykh, Alexei

    2008-01-01

    Each organization exists or is created for the achievement of one or more goals. To ensure continued success, the organization should monitor its performance with respect to the formulated goals. In practice the performance of an organization is often evaluated by estimating its performance indicato

  20. 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.

  1. Row-like organization of ATP synthase in intact mitochondria determined by cryo-electron tomography

    NARCIS (Netherlands)

    Dudkina, Natalya V.; Oostergetel, Gert T.; Lewejohann, Dagmar; Braun, Hans-Peter; Boekema, Egbert J.

    2010-01-01

    The fine structure of intact, close-to-spherical mitochondria from the alga Polytomella was visualized by dual-axis cryo-electron tomography. The supramolecular organization of dimeric ATP synthase in the cristae membranes was investigated by averaging subvolumes of tomograms and 3D details at simil

  2. Speculations on the Impact of Global Electronic Networks on Human Cognition and Human Organization.

    Science.gov (United States)

    Nilan, Michael S.

    1993-01-01

    Examines the relationship between a society's communication technology and Marshall McLuhan's concerns for human cognition, and between the technology and the ways that humans organize their societies. It is suggested that appropriate development of global electronic networks could have a positive effect on individual and organizational abilities…

  3. Click-chemistry approaches to π-conjugated polymers for organic electronics applications

    Science.gov (United States)

    Facchetti, Antonio; Lanari, Daniela; Santoro, Stefano

    2016-01-01

    Given the wide utility of click-chemistry reactions for the preparation of simple moieties within large architecturally complex materials, this minireview article aims at surveying papers exploring their scope in the area of π-conjugated polymers for application in organic electronics to enable advanced functional properties. PMID:28567241

  4. Write between the lines: Electronic outlining and the organization of text ideas

    NARCIS (Netherlands)

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

    2012-01-01

    De Smet, M. J. R., Brand-Gruwel, S., Broekkamp, H., & Kirschner, P. A. (2012). Write between the lines: Electronic outlining and the organization of text ideas. Computers in Human Behavior, 28(6), 2107-2116. doi:10.1016/j.chb.2012.1006.1015

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

    Science.gov (United States)

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

    1965-01-01

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

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

    NARCIS (Netherlands)

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

    2016-01-01

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

  7. Computations on injection into organics : or how to let electrons shine

    NARCIS (Netherlands)

    Uijttewaal, Mattheus Adrianus

    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 mu

  8. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hlawacek, Gregor [Physics of Interfaces and Nanomaterials, MESA, Institute for Nanotechnology, University of Twente, Enschede (Netherlands); Institute for Physics, University of Leoben (Austria); Khokhar, Fawad S.; Gastel, Raoul van; Poelsema, Bene [Physics of Interfaces and Nanomaterials, MESA, Institute for Nanotechnology, University of Twente, Enschede (Netherlands); Teichert, Christian [Institute for Physics, University of Leoben (Austria)

    2011-07-01

    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 para-sexiphenyl on the transparent electrode material graphene. State of the art Low Energy Electron Microscopy, micro Low Energy Electron Diffraction and spot profile analysis techniques revealed the morphological and structural evolution of the thin film. Subtle difference in the molecular arrangement in comparison to graphite are confirmed by molecular dynamics simulations. Initial islands are found to have a meta stable structure that is characterized by flat lying molecules. With increasing coverage this structure changes into a herringbone arrangement similar to the {l_brace}111{r_brace} bulk layer. The layer-by-layer growth of 6P on graphene proceeds by subsequent adding of {l_brace}111{r_brace} layers.

  10. Modelling low energy electron interactions for biomedical uses of radiation

    Energy Technology Data Exchange (ETDEWEB)

    Fuss, M; Garcia, G [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones CientIficas (CSIC), Serrano 113-bis, 28006 Madrid (Spain); Munoz, A; Oller, J C [Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT), Avenida Complutense 22, 28040 Madrid (Spain); Blanco, F [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, Avenida Complutense s.n., 28040 Madrid (Spain); Limao-Vieira, P [Departamento de Fisica, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Huerga, C; Tellez, M [Hospital Universitario La Paz, paseo de la Castellana 261, 28046 Madrid (Spain); Hubin-Fraskin, M J [Department of Chemistry, University of Liege, 4000 Liege 1 (Belgium); Nixon, K; Brunger, M, E-mail: g.garcia@imaff.cfmac.csic.e [School of Chemistry, Physics and Earth Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia)

    2009-11-15

    Current radiation based medical applications in the field of radiotherapy, radio-diagnostic and radiation protection require modelling single particle interactions at the molecular level. Due to their relevance in radiation damage to biological systems, special attention should be paid to include the effect of low energy secondary electrons. In this study we present a single track simulation procedure for photons and electrons which is based on reliable experimental and theoretical cross section data and the energy loss distribution functions derived from our experiments. The effect of including secondary electron interactions in this model will be discussed.

  11. Modeling Deterministic Chaos Using Electronic Circuits

    Directory of Open Access Journals (Sweden)

    T. Gotthans

    2011-06-01

    Full Text Available This paper brings a note on systematic circuit synthesis methods for modeling the dynamical systems given by mathematical model. Both classical synthesis and integrator based method is demonstrated via the relatively complicated real physical systems with possible chaotic solution. A variety of the different active building blocks are utilized to make the final circuits as simple as possible while preserving easily measurable voltage-mode state variables. Brief experimental verification, i.e. oscilloscope screenshots, is presented. The observed attractors have some structural stability and good relationship to their numerically integrated counterparts.

  12. 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

  13. 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.

  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.

    2016-01-01

    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. PMID:26891337

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

    NARCIS (Netherlands)

    Edison, Arthur; Hall, Robert; Junot, Christophe; Karp, Peter; Kurland, Irwin; Mistrik, Robert; Reed, Laura; Saito, Kazuki; Salek, Reza; Steinbeck, Christoph; Sumner, Lloyd; Viant, Mark

    2016-01-01

    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

  16. 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.

  17. Template and Model Driven Development of Standardized Electronic Health Records.

    Science.gov (United States)

    Kropf, Stefan; Chalopin, Claire; Denecke, Kerstin

    2015-01-01

    Digital patient modeling targets the integration of distributed patient data into one overarching model. For this integration process, both a theoretical standard-based model and information structures combined with concrete instructions in form of a lightweight development process of single standardized Electronic Health Records (EHRs) are needed. In this paper, we introduce such a process along side a standard-based architecture. It allows the modeling and implementation of EHRs in a lightweight Electronic Health Record System (EHRS) core. The approach is demonstrated and tested by a prototype implementation. The results show that the suggested approach is useful and facilitates the development of standardized EHRSs.

  18. 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

  19. Impact of plasma parameter on self-organization of electron temperature gradient driven turbulence

    Science.gov (United States)

    Kawai, C.; Idomura, Y.; Maeyama, S.; Ogawa, Y.

    2017-04-01

    Self-organization in the slab electron temperature gradient driven (ETG) turbulence is investigated based on gyrokinetic simulations and the Hasegawa-Mima (HM) equation. The scale and the anisotropy of self-organized turbulent structures vary depending on the Rhines scale and the characteristic scale given by the adiabatic response term in the HM equation. The former is determined by competition between the linear wave dispersion and the nonlinear turbulent cascade, while the latter is given as the scale, at which the turbulent cascade is impeded. These scales are controlled by plasma parameters such as the density and temperature gradient, and the temperature ratio of ion to electron. It is found that depending on the plasma parameters, the ETG turbulence shows either isotropic turbulence or zonal flows, which give significantly different transport levels. Although the modulational instability excites zonal modes regardless of the plasma parameters, the final turbulent structure is determined by the self-organization process.

  20. STEADY-STATE MODEL OF SOLAR WIND ELECTRONS REVISITED

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Peter H.; Kim, Sunjung; Choe, G. S., E-mail: yoonp@umd.edu [School of Space Research, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of)

    2015-10-20

    In a recent paper, Kim et al. put forth a steady-state model for the solar wind electrons. The model assumed local equilibrium between the halo electrons, characterized by an intermediate energy range, and the whistler-range fluctuations. The basic wave–particle interaction is assumed to be the cyclotron resonance. Similarly, it was assumed that a dynamical steady state is established between the highly energetic superhalo electrons and high-frequency Langmuir fluctuations. Comparisons with the measured solar wind electron velocity distribution function (VDF) during quiet times were also made, and reasonable agreements were obtained. In such a model, however, only the steady-state solution for the Fokker–Planck type of electron particle kinetic equation was considered. The present paper complements the previous analysis by considering both the steady-state particle and wave kinetic equations. It is shown that the model halo and superhalo electron VDFs, as well as the assumed wave intensity spectra for the whistler and Langmuir fluctuations, approximately satisfy the quasi-linear wave kinetic equations in an approximate sense, thus further validating the local equilibrium model constructed in the paper by Kim et al.

  1. 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

  2. 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.

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

    KAUST Repository

    Ryno, Sean M.

    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.

  4. Electronic structure of planar-quasicycled organic molecules with intramolecular hydrogen bond

    Directory of Open Access Journals (Sweden)

    ALEXEI N. PANKRATOV

    2007-03-01

    Full Text Available By means of the HF/6-311G(d,p method, the electronic structure of the series of organic molecules, among which are malonaldehyde, acetylacetone, thiomalonaldehyde,’the derivatives of aniline 2-XC6H4NH2, phenol 2-XC6H4OH, benzenethiol 2-XC6H4SH (X = CHO, COOH, COO-, NO, NO2, OH, OCH3, SH, SCH3, F, Cl, Br, 8-hydroxyquinoline, 8-mercaptoquinoline, tropolone, has been studied. The intramolecular hydrogen bond (IHB has been established to lead to a local electron redistribution in quasicycle, and primarily to the electron density transfer between the direct IHB participants – from the hydrogen atom toward the proton-aceptor atom. On forming the IHB of the S–H···O type, the electron density in general decreases on the sulphohydryl hydrogen atom and increases on the sulphur atom.

  5. Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lobayan, Rosana M., E-mail: rmlb@exa.unne.edu.ar [Departamento de Física, Facultad de Ciencias Exactas, Naturales y Agrimensura, Universidad Nacional del Nordeste, 3400, Corrientes (Argentina); Bochicchio, Roberto C., E-mail: rboc@df.uba.ar [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, and IFIBA, CONICET, Ciudad Universitaria, 1428, Buenos Aires (Argentina)

    2014-05-07

    Two-electron three-center bonding interactions in organic ions like methonium (CH{sub 5}{sup +}), ethonium (C{sub 2}H{sub 7}{sup +}), and protonated alkanes n−C{sub 4}H{sub 11}{sup +} isomers (butonium cations) are described and characterized within the theoretical framework of the topological analysis of the electron density decomposition into its effectively paired and unpaired contributions. These interactions manifest in some of this type of systems as a concentration of unpaired electron cloud around the bond paths, in contrast to the well known paradigmatic boron hydrids in which it is not only concentrated close to the atomic nucleus and the bond paths but out of them and over the region defined by the involved atoms as a whole. This result permits to propose an attempt of classification for these interactions based in such manifestations. In the first type, it is called as interactions through bonds and in the second type as interactions through space type.

  6. Self-Organized Criticality in a Random Network Model

    OpenAIRE

    Nirei, Makoto

    1998-01-01

    A new model of self-organized criticality is defined by incorporating a random network model in order to explain endogenous complex fluctuations of economic aggregates. The model can feature many globally interactive systems such as economies or societies.

  7. Electronic, structural, and substrate effect properties of single-layer covalent organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Liangbo; Zhu, Pan [Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Meunier, Vincent, E-mail: meuniv@rpi.edu [Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)

    2015-05-14

    Recently synthesized two-dimensional covalent organic frameworks (COFs) exhibit high surface area, large pore size, and unique structural architectures, making them promising materials for various energy applications. Here, a total of nine COFs structures, including two deposited on a hexagonal boron nitride substrate, are investigated using density functional theory, quasi-particle many-body theory within the GW approximation, and an image charge model. The structures considered belong to two major families (thiophene-based COF-n (T-COF-n) and tetrakis (4-aminophenyl) porphyrin-x (TAPP-x)) differing from the presence of B—O or C=N linkers. While T-COF-n structures are shown to constitute planar networks, TAPP-x systems can display non-negligible corrugation due to the out-of-plane rotation of phenyl rings. We find that the electronic properties do not differ significantly when altering the chain molecules within each family. Many-body effects are shown to lead to large band-gap increase while the presence of the substrate yields appreciable reductions of the gaps, due to substrate polarization effects.

  8. 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

  9. Study of Self-Organization Model of Multiple Mobile Robot

    OpenAIRE

    Li Shu-qin; Ceng Xian-yi; Xia De-shen

    2006-01-01

    A good organization model of multiple mobile robot should be able to improve the efficiency of the system, reduce the complication of robot interactions, and detract the difficulty of computation. From the sociology aspect of topology, structure and organization, this paper studies the multiple mobile robot organization formation and running mechanism in the dynamic, complicated and unknown environment. It presents and describes in detail a Hierarchical- Web Recursive Organization Model (HWRO...

  10. Ferromagnetism in Electronic Models for Manganites

    OpenAIRE

    Riera, Jose; Hallberg, Karen; Dagotto, Elbio

    1996-01-01

    Ground state properties of the Kondo model for manganese oxides in one dimension are studied using numerical techniques. The large Hund coupling ($J_{H}$) limit is specially analyzed. A robust region of fully saturated ferromagnetism (FM) is identified at all densities. For open boundary conditions it is shown exactly that the ground state is FM at $J_{H} = \\infty$. Hole-spin phase separation competing with FM was also observed when a large exchange $J$ between the $Mn^{3+}$ ions is used. As ...

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

    Science.gov (United States)

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

    2017-09-01

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

  12. 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)

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

    Science.gov (United States)

    Chen, Duan; Wei, Guo-Wei

    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

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

    Science.gov (United States)

    Chen, Duan; Wei, Guo-Wei

    2010-06-01

    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

  15. A Topological Model for C2 Organizations

    Science.gov (United States)

    2011-06-01

    functions of the organization, and the capabilities of its members, as these sets somehow efine the boundaries of organizational performance and the...and functions of the organization, and the capabilities of its members, as these sets somehow efine the boundaries of organizational performance and

  16. 25th anniversary article: organic electronics marries photochromism: generation of multifunctional interfaces, materials, and devices.

    Science.gov (United States)

    Orgiu, Emanuele; Samorì, Paolo

    2014-03-26

    Organic semiconductors have garnered significant interest as key components for flexible, low-cost, and large-area electronics. Hitherto, both materials and processing thereof seems to head towards a mature technology which shall ultimately meet expectations and efforts built up over the past years. However, by its own organic electronics cannot compete or complement the silicon-based electronics in integrating multiple functions in a small area unless novel solutions are brought into play. Photochromic molecules are small organic molecules able to undergo reversible photochemical isomerization between (at least) two (meta)stable states which exhibit markedly different properties. They can be embedded as additional component in organic-based materials ready to be exploited in devices such as OLEDs, OFETs, and OLETs. The structurally controlled incorporation of photochromic molecules can be done at various interfaces of a device, including the electrode/semiconductor or dielectric/semiconductor interface, or even as a binary mixture in the active layer, in order to impart a light responsive nature to the device. This can be accomplished by modulating via a light stimulus fundamental physico-chemical properties such as charge injection and transport in the device.

  17. ReO{sub x} charge injection/blocking layers in organic electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Luo Jiaxiu; Xiao Lixin; Chen Zhijian; Qu Bo; Gong Qihuang, E-mail: xiao66@pku.edu.c, E-mail: qhgong@pku.edu.c [State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China)

    2010-09-29

    The charge transport of rhenium oxide (ReO{sub x}) in organic electronic devices was investigated. The hole injection/transport was blocked and the electron injection/transport was enhanced with doping of ReO{sub x} in organic electronic devices. Thus the charge balance and efficiency of organic light-emitting diodes were improved; current efficiency of 2.7 cd A{sup -1} at 20 mA cm{sup -2} for the device with ReO{sub x} was higher than 1.5 cd A{sup -1} for the device without it. In the case of organic photovoltaic cells, the open-circuit voltage (V{sub oc}), 0.58 V, was higher compared with the device without ReO{sub x} (0.44 V) due to the improvement of interface properties. The power conversion efficiency was increased to 2.27% by the combination of ReO{sub x} (increases V{sub oc}) with poly(3,4-ethylenedioxythiophene) : poly(styrene-sulfonate) (improves hole transport to increase J{sub sc}) on the modification of the anode, higher than 1.85% for the device without ReO{sub x}.

  18. Synthesis, structure, and opto-electronic properties of organic-based nanoscale heterojunctions

    Directory of Open Access Journals (Sweden)

    Cimrová Vĕra

    2011-01-01

    Full Text Available Abstract Enormous research effort has been put into optimizing organic-based opto-electronic systems for efficient generation of free charge carriers. This optimization is mainly due to typically high dissociation energy (0.1-1 eV and short diffusion length (10 nm of excitons in organic materials. Inherently, interplay of microscopic structural, chemical, and opto-electronic properties plays crucial role. We show that employing and combining advanced scanning probe techniques can provide us significant insight into the correlation of these properties. By adjusting parameters of contact- and tapping-mode atomic force microscopy (AFM, we perform morphologic and mechanical characterizations (nanoshaving of organic layers, measure their electrical conductivity by current-sensing AFM, and deduce work functions and surface photovoltage (SPV effects by Kelvin force microscopy using high spatial resolution. These data are further correlated with local material composition detected using micro-Raman spectroscopy and with other electronic transport data. We demonstrate benefits of this multi-dimensional characterizations on (i bulk heterojunction of fully organic composite films, indicating differences in blend quality and component segregation leading to local shunts of photovoltaic cell, and (ii thin-film heterojunction of polypyrrole (PPy electropolymerized on hydrogen-terminated diamond, indicating covalent bonding and transfer of charge carriers from PPy to diamond.

  19. 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.

  20. Numerical modeling of electron-beam welding of dissimilar metals

    Science.gov (United States)

    Krektuleva, R. A.; Cherepanov, O. I.; Cherepanov, R. O.

    2016-11-01

    This paper is devoted to numerical modeling of heat transfer processes and estimation of thermal stresses in weld seams created by electron beam welding of heterogeneous metals. The mathematical model is based on a system of equations that includes the Lagrange's variational equation of theory of plasticity and variational equation of M. Biot's principle to simulate the heat transfer processes. The two-dimensional problems (plane strain and plane stress) are considered for estimation of thermal stresses in welds considering differences of mechanical properties of welded materials. The model is developed for simulation of temperature fields and stresses during electron beam welding.

  1. Modified binary encounter Bethe model for electron-impact ionization

    CERN Document Server

    Guerra, M; Indelicato, P; Santos, J P

    2013-01-01

    Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed. The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells. The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

  2. Relativistic models for quasielastic electron and neutrino-nucleus scattering

    Directory of Open Access Journals (Sweden)

    Meucci Andrea

    2012-12-01

    Full Text Available Relativistic models developed within the framework of the impulse approximation for quasielastic (QE electron scattering and successfully tested in comparison with electron-scattering data have been extended to neutrino-nucleus scattering. Different descriptions of final-state interactions (FSI in the inclusive scattering are compared. In the relativistic Green’s function (RGF model FSI are described consistently with the exclusive scattering using a complex optical potential. In the relativistic mean field (RMF model FSI are described by the same RMF potential which gives the bound states. The results of the models are compared for electron and neutrino scattering and, for neutrino scattering, with the recently measured charged-current QE (CCQE MiniBooNE cross sections.

  3. A conceptual model for assessing the impact of electronic procurement

    NARCIS (Netherlands)

    Boer, de Luitzen; Harink, Jeroen; Heijboer, Govert

    2002-01-01

    This paper aims to contribute to the development of a conceptual model for studying the direct and indirect impact of various forms of electronic procurement (EP) on a firm's integral purchasing (-related) costs. The model builds on existing classifications of purchasing-related costs and benefits a

  4. 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

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

    NARCIS (Netherlands)

    Karssenberg, J.G.; Slot, van der P.J.M.; Volokhine, I.V.; Verschuur, J.W.J.; Boller, K.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 exam

  6. Aqueous Processing for Printed Organic Electronics: Conjugated Polymers with Multistage Cleavable Side Chains.

    Science.gov (United States)

    Schmatz, Brian; Yuan, Zhibo; Lang, Augustus W; Hernandez, Jeff L; Reichmanis, Elsa; Reynolds, John R

    2017-09-27

    The ability to process conjugated polymers via aqueous solution is highly advantageous for reducing the costs and environmental hazards of large scale roll-to-roll processing of organic electronics. However, maintaining competitive electronic properties while achieving aqueous solubility is difficult for several reasons: (1) Materials with polar functional groups that provide aqueous solubility can be difficult to purify and characterize, (2) many traditional coupling and polymerization reactions cannot be performed in aqueous solution, and (3) ionic groups, though useful for obtaining aqueous solubility, can lead to a loss of solid-state order, as well as a screening of any applied bias. As an alternative, we report a multistage cleavable side chain method that combines desirable aqueous processing attributes without sacrificing semiconducting capabilities. Through the attachment of cleavable side chains, conjugated polymers have for the first time been synthesized, characterized, and purified in organic solvents, converted to a water-soluble form for aqueous processing, and brought through a final treatment to cleave the polymer side chains and leave behind the desired electronic material as a solvent-resistant film. Specifically, we demonstrate an organic soluble polythiophene that is converted to an aqueous soluble polyelectrolyte via hydrolysis. After blade coating from an aqueous solution, UV irradiation is used to cleave the polymer's side chains, resulting in a solvent-resistant, electroactive polymer thin film. In application, this process results in aqueous printed materials with utility for solid-state charge transport in organic field effect transistors (OFETs), along with red to colorless electrochromism in ionic media for color changing displays, demonstrating its potential as a universal method for aqueous printing in organic electronics.

  7. 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.

  8. 3D Bioprinting of Tissue/Organ Models.

    Science.gov (United States)

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

    2016-04-04

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-12

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

  10. Kinetic modelling of runaway electrons in dynamic scenarios

    CERN Document Server

    Stahl, A; Papp, G; Landreman, M; Fülöp, T

    2016-01-01

    Improved understanding of runaway-electron formation and decay processes are of prime interest for the safe operation of large tokamaks, and the dynamics of the runaway electrons during dynamical scenarios such as disruptions are of particular concern. In this paper, we present kinetic modelling of scenarios with time-dependent plasma parameters; in particular, we investigate hot-tail runaway generation during a rapid drop in plasma temperature. With the goal of studying runaway-electron generation with a self-consistent electric-field evolution, we also discuss the implementation of a conservative collision operator and demonstrate its properties. An operator for avalanche runaway-electron generation, which takes the energy dependence of the scattering cross section and the runaway distribution into account, is investigated. We show that the simpler avalanche model of Rosenbluth & Putvinskii [Nucl. Fusion 37, 1355 (1997)] can give very inaccurate results for the avalanche growth rate (either lower or hig...

  11. Cyclotron resonance in two-dimensional electron system with self-organized antidots

    CERN Document Server

    Suchalkin, S D; Zundel, M; Nachtwei, G; Klitzing, K V; Eberl, K

    2001-01-01

    The data on the experimental study on the cyclotron resonance in the two-dimensional electron system with the random scattering potential, conditioned by the massif of the AlInAs self-organized quantum islands, formed in the AlGaAs/GaAs heterotransition plane, are presented. The sharp narrowing of the cyclotron resonance with increase in the magnetic field, explained by the charge scattering peculiarities in the given potential is established. The obtained results suggest the strongly correlated electron state in the strong magnetic fields by the carriers concentrations lesser than the antidots concentrations

  12. Remotion of organic compounds of actual industrial effluents by electron beam irradiation

    Science.gov (United States)

    Sampa, M. H. O.; Duarte, C. L.; Rela, P. R.; Somessari, E. S. R.; Silveira, C. G.; Azevedo, A. L.

    1998-06-01

    Organic compounds has been a great problem of environmental pollution, the traditional methods are not effecient on removing these compounds and most of them are deposited to ambient and stay there for long time causing problems to the environment. Ionizing radiation has been used with success to destroy organic molecules. Actual industrial effluents were irradiated using IPEN's electron beam wastewater pilot plant to study organic compounds degradation. The samples were irradiated with and without air mixture by different doses. Irradiation treatment efficiency was evaluated by the Cromatography Gas Analyses of the samples before and after irradiation. The studied organic compounds were: phenol, chloroform, tetrachloroethylene (PCE), carbon tetrachloride, trichloroethylene (TCE), 1,1-dichloroethane, dichloromethane, benzene, toluene and xilene. A degradation superior to 80% was achieved for the majority of the compounds with air addition and 2kGy delivered dose condition. For the samples that were irradiated without air addition the degradation was higher.

  13. Remotion of organic compounds of actual industrial effluents by electron beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Sampa, M.H.O.; Duarte, C.L.; Rela, P.R.; Somessari, E.S.R.; Silveira, C.G.; Azevedo, A.L

    1998-06-01

    Organic compounds has been a great problem of environmental pollution, the traditional methods are not efficient on removing these compounds and most of them are deposited to ambient and stay there for long time causing problems to the environment. Ionizing radiation has been used with success to destroy organic molecules. Actual industrial effluents were irradiated using IPEN's electron beam wastewater pilot plant to study organic compounds degradation. The samples were irradiated with and without air mixture by different doses. Irradiation treatment efficiency was evaluated by the Cromatography Gas Analyses of the samples before and after irradiation. The studied organic compounds were: phenol, chloroform, tetrachloroethylene (PCE), carbon tetrachloride, trichloroethylene (TCE), 1,1-dichloroethane, dichloromethane, benzene, toluene and xilene. A degradation superior to 80% was achieved for the majority of the compounds with air addition and 2kGy delivered dose condition. For the samples that were irradiated without air addition the degradation was higher.

  14. 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.

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

    Science.gov (United States)

    Li, Yanyan; Xie, Mengjun; Bian, Jiang

    2014-01-01

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

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

    National Research Council Canada - National Science Library

    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

    .... 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...

  17. Molecular modeling of inelastic electron transport in molecular junctions

    Science.gov (United States)

    Jiang, Jun; Kula, Mathias; Luo, Yi

    2008-09-01

    A quantum chemical approach for the modeling of inelastic electron tunneling spectroscopy of molecular junctions based on scattering theory is presented. Within a harmonic approximation, the proposed method allows us to calculate the electron-vibration coupling strength analytically, which makes it applicable to many different systems. The calculated inelastic electron transport spectra are often in very good agreement with their experimental counterparts, allowing the revelation of detailed information about molecular conformations inside the junction, molecule-metal contact structures, and intermolecular interaction that is largely inaccessible experimentally.

  18. Molecular modeling of inelastic electron transport in molecular junctions

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Jun; Kula, Mathias; Luo Yi [Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm (Sweden)], E-mail: luo@kth.se

    2008-09-17

    A quantum chemical approach for the modeling of inelastic electron tunneling spectroscopy of molecular junctions based on scattering theory is presented. Within a harmonic approximation, the proposed method allows us to calculate the electron-vibration coupling strength analytically, which makes it applicable to many different systems. The calculated inelastic electron transport spectra are often in very good agreement with their experimental counterparts, allowing the revelation of detailed information about molecular conformations inside the junction, molecule-metal contact structures, and intermolecular interaction that is largely inaccessible experimentally.

  19. 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.

  20. 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.

  1. Static and dynamic electronic characterization of organic monolayers grafted on a silicon surface.

    Science.gov (United States)

    Pluchery, O; Zhang, Y; Benbalagh, R; Caillard, L; Gallet, J J; Bournel, F; Lamic-Humblot, A-F; Salmeron, M; Chabal, Y J; Rochet, F

    2016-02-07

    Organic layers chemically grafted on silicon offer excellent interfaces that may open up the way for new organic-inorganic hybrid nanoelectronic devices. However, technological achievements rely on the precise electronic characterization of such organic layers. We have prepared ordered grafted organic monolayers (GOMs) on Si(111), sometimes termed self-assembled monolayers (SAMs), by a hydrosilylation reaction with either a 7-carbon or an 11-carbon alkyl chain, with further modification to obtain amine-terminated surfaces. X-ray photoelectron spectroscopy (XPS) is used to determine the band bending (∼ 0.3 eV), and ultraviolet photoelectron spectroscopy (UPS) to measure the work function (∼ 3.4 eV) and the HOMO edge. Scanning tunneling microscopy (STM) confirms that the GOM surface is clean and smooth. Finally, conductive AFM is used to measure electron transport through the monolayer and to identify transition between the tunneling and the field emission regimes. These organic monolayers offer a promising alternative to silicon dioxide thin films for fabricating metal-insulator-semiconductor (MIS) junctions. We show that gold nanoparticles can be covalently attached to mimic metallic nano-electrodes and that the electrical quality of the GOMs is completely preserved in the process.

  2. Modeling the Free Carrier Recombination Kinetics in PTB7:PCBM Organic Photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Oosterhout, Stefan D.; Ferguson, Andrew J.; Larson, Bryon W.; Olson, Dana C.; Kopidakis, Nikos

    2016-11-03

    Currently the exact recombination mechanism of free carriers in organic photovoltaic (OPV) devices is poorly understood. Often a reduced Langevin model is used to describe the decay behavior of electrons and holes. Here we propose a novel, simple kinetic model that accurately describes the decay behavior of free carriers in the PTB7:PCBM organic photovoltaic blend. This model needs to only take into account free and trapped holes in the polymer, and free electrons in the fullerene, to accurately describe the recombination behavior of free carriers as measured by time-resolved microwave conductivity (TRMC). The model is consistent for different PTB7:PCBM blend ratios and spans a light intensity range of over 3 orders of magnitude. The model demonstrates that dark carriers exist in the polymer and interact with photoinduced charge carriers, and that the trapping and detrapping rates of the holes are of high importance to the overall carrier lifetime.

  3. 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......-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...

  4. 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

    2012-08-01

    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.

  5. 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

  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. using stereochemistry models in teaching organic compounds ...

    African Journals Online (AJOL)

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    (ii) provide the students with basic knowledge in chemical concepts and ... ethanol, ethan-l-ol and ethyl alcohol in some textbooks and they are the same. ... Considering class level, what is the performance of the students in naming organic.

  8. A Physical Model of Electron Radiation Belts of Saturn

    Science.gov (United States)

    Lorenzato, L.; Sicard-Piet, A.; Bourdarie, S.

    2012-04-01

    Radiation belts causes irreversible damages on on-board instruments materials. That's why for two decades, ONERA proposes studies about radiation belts of magnetized planets. First, in the 90's, the development of a physical model, named Salammbô, carried out a model of the radiation belts of the Earth. Then, for few years, analysis of the magnetosphere of Jupiter and in-situ data (Pioneer, Voyager, Galileo) allow to build a physical model of the radiation belts of Jupiter. Enrolling on the Cassini age and thanks to all information collected, this study permits to adapt Salammbô jovian radiation belts model to the case of Saturn environment. Indeed, some physical processes present in the kronian magnetosphere are similar to those present in the magnetosphere of Jupiter (radial diffusion; interaction of energetic electrons with rings, moons, atmosphere; synchrotron emission). However, some physical processes have to be added to the kronian model (compared to the jovian model) because of the particularity of the magnetosphere of Saturn: interaction of energetic electrons with neutral particles from Enceladus, and wave-particle interaction. This last physical process has been studied in details with the analysis of CASSINI/RPWS (Radio and Plasma Waves Science) data. The major importance of the wave particles interaction is now well known in the case of the radiation belts of the Earth but it is important to investigate on its role in the case of Saturn. So, importance of each physical process has been studied and analysis of Cassini MIMI-LEMMS and CAPS data allows to build a model boundary condition (at L = 6). Finally, results of this study lead to a kronian electrons radiation belts model including radial diffusion, interactions of energetic electrons with rings, moons and neutrals particles and wave-particle interaction (interactions of electrons with atmosphere particles and synchrotron emission are too weak to be taken into account in this model). Then, to

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

    Science.gov (United States)

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

    2016-05-01

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

  10. A Modeling Exercise for the Organic Classroom

    Science.gov (United States)

    Whitlock, Christine R.

    2010-01-01

    An in-class molecular modeling exercise is described. Groups of students are given molecular models to investigate and questions about the models to answer. This exercise is a quick and effective way to review nomenclature, stereochemistry, and conformational analysis.

  11. [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.

  12. Probing the bonding and structures of metal-organic radicals with zero energy electrons

    Institute of Scientific and Technical Information of China (English)

    YANG DongSheng

    2012-01-01

    Metal-organic radicals are reactive and transient because of the existence of unpaired valence electrons,and thus the characterization of these open-shell systems is challenging.In our work,the radicals are synthesized by the reaction of bare metal atoms and organic ligands in a laser-vaporization supersonic molecular beam source and characterized with pulsed-field ionization zero electron kinetic energy (ZEKE) spectroscopy.The molecular beam ZEKE technique routinely yields sub-meV spectral resolution and is a powerful means to study the molecular bonding and structures.This account presents several examples of single-photon ZEKE spectroscopic applications in determining metal binding modes and molecular conformations.

  13. An extended model for electron spin polarization in photosynthetic bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Morris, A.L.; Norris, J.R. (Argonne National Lab., IL (USA) Chicago Univ., IL (USA). Dept. of Chemistry); Thurnauer, M.C. (Argonne National Lab., IL (USA))

    1990-01-01

    We have developed a general model for electron spin polarization which includes contributions from both CIDEP (chemically induced dynamic electron polarization) and CRP (correlated radical polarization). In this paper, we apply this model to sequential electron transfer in photosynthetic bacteria. Our model calculates the density matrix for the P{sup +}I{sup {minus}} radical pair and transfers the polarization as it develops to the P{sup +}Q{sup {minus}} radical pair. We illustrate several possible cases. One case is equivalent to CIDEP; no interactions are included on the secondary radical pair, P{sup +}Q{sup {minus}}. Another approximates CRPP by either increasing the transfer rate from P{sup +}I{sup {minus}} to P{sup +}Q{sup {minus}} or restricting interactions to the secondary radical pair, P{sup +}Q{sup {minus}}. Others allow interactions on both the primary and secondary radical pairs with various transfer rates. 15 refs., 4 figs.

  14. Electrochemical route to fabricate film-like conjugated microporous polymers and application for organic electronics.

    Science.gov (United States)

    Gu, Cheng; Chen, Youchun; Zhang, Zhongbo; Xue, Shanfeng; Sun, Shuheng; Zhang, Kai; Zhong, Chengmei; Zhang, Huanhuan; Pan, Yuyu; Lv, Ying; Yang, Yanqin; Li, Fenghong; Zhang, Suobo; Huang, Fei; Ma, Yuguang

    2013-07-05

    Film-like conjugated microporous polymers (CMPs) are fabricated by the novel strategy of carbazole-based electropolymerization. The CMP film storing a mass of counterions acting as an anode interlayer provides a significant power-conversion efficiency of 7.56% in polymer solar cells and 20.7 cd A(-1) in polymer light-emitting diodes, demonstrating its universality and potential as an electrode interlayer in organic electronics.

  15. Scenarios to explore the futures of the emerging technology of organic and large area electronics

    OpenAIRE

    Parandian, Alireza; Rip, Arie

    2013-01-01

    Emerging technologies pose challenges for futures research because of their uncertainties combined with promises. Actors are anticipating and acting strategically. Sociotechnical scenarios building on endogenous futures support and enlighten actors. Such scenarios contribute to “strategic intelligence” about the technologies and their embedding in society. Organic and large area electronics promise to substitute silicon-based technologies, but firms and potential users are reluctant to invest...

  16. Computational assessment of electron density in metallo-organic nickel pincer complexes for formation of PC bonds.

    Science.gov (United States)

    Eller, Joshua J; Downey, Karen

    2015-10-05

    Hydrophosphination is an atomically efficient method for introducing new carbon-phosphorous bonds in organic synthesis. New late-transition metal catalytic complexes are proposed to facilitate this process. These nickel-based complexes are analyzed using semiempirical (SE), Hartree-Fock (H-F), and density functional theory (DFT) models. H-F proves to be ineffective, while the SE approach has limited, qualitative use. DFT shows electron density at the metal center suitable for catalyzing bond formation in the proposed, reductive hydrophosphination mechanism. It also shows that the pincer complexes under investigation are relatively insensitive to solvent dielectric constant and to the chemical character of the monodentate ligand, both in terms of electron distribution and in terms of molecular orbital energies.

  17. 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)

  18. Nanostructured Electron-Selective Interlayer for Efficient Inverted Organic Solar Cells.

    Science.gov (United States)

    Song, Jiyun; Lim, Jaehoon; Lee, Donggu; Thambidurai, M; Kim, Jun Young; Park, Myeongjin; Song, Hyung-Jun; Lee, Seonghoon; Char, Kookheon; Lee, Changhee

    2015-08-26

    We report a unique nanostructured electron-selective interlayer comprising of In-doped ZnO (ZnO:In) and vertically aligned CdSe tetrapods (TPs) for inverted polymer:fullerene bulkheterojunction (BHJ) solar cells. With dimension-controlled CdSe TPs, the direct inorganic electron transport pathway is provided, resulting in the improvement of the short circuit current and fill factor of devices. We demonstrate that the enhancement is attributed to the roles of CdSe TPs that reduce the recombination losses between the active layer and buffer layer, improve the hole-blocking as well as electron-transporting properties, and simultaneously improve charge collection characteristics. As a result, the power conversion efficiency of PTB7:PC70BM based solar cell with nanostructured CdSe TPs increases to 7.55%. We expect this approach can be extended to a general platform for improving charge extraction in organic solar cells.

  19. Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport.

    Science.gov (United States)

    Goldey, Matthew B; Reid, Daniel; de Pablo, Juan; Galli, Giulia

    2016-11-23

    Establishing how the conformation of organic photovoltaic (OPV) polymers affects their electronic and transport properties is critical in order to determine design rules for new OPV materials and in particular to understand the performance enhancements recently reported for ternary blends. We report coupled classical and ab initio molecular dynamics simulations showing that polymer linkage twisting significantly reduces optical absorption efficiency, as well as hole transport rates in donor polymers. We predict that blends with components favoring planar geometries contribute to the enhancement of the overall efficiency of ternary OPVs. Furthermore, our electronic structure calculations for the PTB7-PID2-PC71BM system show that hole transfer rates are enhanced in ternary blends with respect to their binary counterpart. Finally, our results point at thermal disorder in the blend as a key reason responsible for device voltage losses and at the need to carry out electronic structure calculations at finite temperature to reliably compare with experiments.

  20. In-depth sphingomyelin characterization using electron impact excitation of ions from organics and mass spectrometry.

    Science.gov (United States)

    Baba, Takashi; Campbell, J Larry; Le Blanc, J C Yves; Baker, Paul R S

    2016-05-01

    Electron impact excitation of ions from organics (EIEIO), also referred to as electron-induced dissociation, was applied to singly charged SM molecular species in the gas phase. Using ESI and a quadrupole TOF mass spectrometer equipped with an electron-ion reaction device, we found that SMs fragmented sufficiently to identify their lipid class, acyl group structure, and the location of double bond(s). Using this technique, nearly 200 SM molecular species were found in four natural lipid extracts: bovine milk, porcine brain, chicken egg yolk, and bovine heart. In addition to the most common backbone, d18:1, sphingosines with a range of carbon chain lengths, sphingadienes, and some sphinganine backbones were also detected. Modifications in natural SMs were also identified, including addition of iodine/methanol across a carbon-carbon double bond. This unparalleled new approach to SM analysis using EIEIO-MS shows promise as a unique and powerful tool for structural characterization.

  1. 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)

  2. Surface residues dynamically organize water bridges to enhance electron transfer between proteins

    CERN Document Server

    de la Lande, Aurélien; Řezáč, Jan; Sanders, Barry C; Salahub, Dennis R; 10.1073/pnas.0914457107

    2010-01-01

    Cellular energy production depends on electron transfer (ET) between proteins. In this theoretical study, we investigate the impact of structural and conformational variations on the electronic coupling between the redox proteins methylamine dehydrogenase and amicyanin from Paracoccus denitrificans. We used molecular dynamics simulations to generate configurations over a duration of 40ns (sampled at 100fs intervals) in conjunction with an ET pathway analysis to estimate the ET coupling strength of each configuration. In the wild type complex, we find that the most frequently occurring molecular configurations afford superior electronic coupling due to the consistent presence of a water molecule hydrogen-bonded between the donor and acceptor sites. We attribute the persistence of this water bridge to a "molecular breakwater" composed of several hydrophobic residues surrounding the acceptor site. The breakwater supports the function of nearby solvent-organizing residues by limiting the exchange of water molecul...

  3. Carrier generation and electronic properties of a single-component pure organic metal

    Science.gov (United States)

    Kobayashi, Yuka; Terauchi, Takeshi; Sumi, Satoshi; Matsushita, Yoshitaka

    2017-01-01

    Metallic conduction generally requires high carrier concentration and wide bandwidth derived from strong orbital interaction between atoms or molecules. These requisites are especially important in organic compounds because a molecule is fundamentally an insulator; only multi-component salts with strong intermolecular interaction--namely, only charge transfer complexes and conducting polymers--have demonstrated intrinsic metallic behaviour. Herein we report a single-component electroactive molecule, zwitterionic tetrathiafulvalene(TTF)-extended dicarboxylate radical (TED), exhibiting metallic conduction even at low temperatures. TED exhibits d.c. conductivities of 530 S cm-1 at 300 K and 1,000 S cm-1 at 50 K with copper-like electronic properties. Spectroscopic and theoretical investigations of the carrier-generation mechanism and the electronic states of this single molecular species reveal a unique electronic structure with a spin-density gradient in the extended TTF moieties that becomes, in itself, a metallic state.

  4. 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.

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

    Science.gov (United States)

    Kaienburg, Pascal; Rau, Uwe; Kirchartz, Thomas

    2016-08-01

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

  6. 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.)

  7. 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.

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

    Science.gov (United States)

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

    2017-05-01

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

  9. Model Checking Electronic Commerce Security Protocols Based on CTL

    Institute of Scientific and Technical Information of China (English)

    XIAO De-qin; ZHANG Huan-guo

    2005-01-01

    We present a model based on Computational Temporal Logic (CTL) methods for verifying security requirements of electronic commerce protocols. The model describes formally the authentication, confidentiality integrity,non-repudiation, denial of service and access control of the electronic commerce protocols. We illustrate as case study a variant of the Lu-Smolka protocol proposed by Lu-Smolka.Moreover, we have discovered two attacks that allow a dishonest user to purchase a good debiting the amount to another user. And also, we compared our work with relative research works and found that the formal way of this paper is more general to specify security protocols for E-Commerce.

  10. 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.

  11. 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].

  12. Electron-scale reduced fluid models with gyroviscous effects

    Science.gov (United States)

    Passot, T.; Sulem, P. L.; Tassi, E.

    2017-08-01

    Reduced fluid models for collisionless plasmas including electron inertia and finite Larmor radius corrections are derived for scales ranging from the ion to the electron gyroradii. Based either on pressure balance or on the incompressibility of the electron fluid, they respectively capture kinetic Alfvén waves (KAWs) or whistler waves (WWs), and can provide suitable tools for reconnection and turbulence studies. Both isothermal regimes and Landau fluid closures permitting anisotropic pressure fluctuations are considered. For small values of the electron beta parameter e$ , a perturbative computation of the gyroviscous force valid at scales comparable to the electron inertial length is performed at order e)$ , which requires second-order contributions in a scale expansion. Comparisons with kinetic theory are performed in the linear regime. The spectrum of transverse magnetic fluctuations for strong and weak turbulence energy cascades is also phenomenologically predicted for both types of waves. In the case of moderate ion to electron temperature ratio, a new regime of KAW turbulence at scales smaller than the electron inertial length is obtained, where the magnetic energy spectrum decays like \\bot -13/3$ , thus faster than the \\bot -11/3$ spectrum of WW turbulence.

  13. Neutrino-Electron Scattering and the Little Higgs Models

    Institute of Scientific and Technical Information of China (English)

    LI Na; YUE Chong-Xing; LI Xu-Xin

    2011-01-01

    The neutrino-electron scattering process is sensitive to the standard model (SM) and the new physics beyond the SM.We calculate the corrections of the littlest Higgs model and the SU(3) simple group model to the vee scattering cross section.Using the LSND experimental measured values,we obtain the bounds on the relevant free parameters,which might be compatible with those from the electroweak precision data.Neutrino-electron scattering is a simple and purely leptonic weak interaction process that can play an important role to perform precision tests of the standard model (SM) and probe various kinds of new physics models beyond the SM.[1-3] Thus,this process provides an ideal tool for electroweak studies.%The neutrino-electron scattering process is sensitive to the standard model (SM) and the new physics beyond the SM. We calculate the corrections of the littlest Higgs model and the SU(3) simple group model to the vee scattering cross section. Using the LSND experimental measured values, we obtain the bounds on the relevant free parameters, which might be compatible with those from the electroweak precision data.

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

    Directory of Open Access Journals (Sweden)

    Mesbahus Saleheen

    2016-05-01

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

  15. A predictive standard model for heavy electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yifeng [Los Alamos National Laboratory; Curro, N J [UC DAVIS; Fisk, Z [UC DAVIS; Pines, D [UC DAVIS

    2010-01-01

    We propose a predictive standard model for heavy electron systems based on a detailed phenomenological two-fluid description of existing experimental data. It leads to a new phase diagram that replaces the Doniach picture, describes the emergent anomalous scaling behavior of the heavy electron (Kondo) liquid measured below the lattice coherence temperature, T*, seen by many different experimental probes, that marks the onset of collective hybridization, and enables one to obtain important information on quantum criticality and the superconducting/antiferromagnetic states at low temperatures. Because T* is {approx} J{sup 2} {rho}/2, the nearest neighbor RKKY interaction, a knowledge of the single-ion Kondo coupling, J, to the background conduction electron density of states, {rho}, makes it possible to predict Kondo liquid behavior, and to estimate its maximum superconducting transition temperature in both existing and newly discovered heavy electron families.

  16. Two-Temperature Model of Nonequilibrium Electron Relaxation:. a Review

    Science.gov (United States)

    Singh, Navinder

    The present paper is a review of the phenomena related to nonequilibrium electron relaxation in bulk and nano-scale metallic samples. The workable Two-Temperature Model (TTM) based on Boltzmann-Bloch-Peierls kinetic equation has been applied to study the ultra-fast (femto-second) electronic relaxation in various metallic systems. The advent of new ultra-fast (femto-second) laser technology and pump-probe spectroscopy has produced wealth of new results for micro- and nano-scale electronic technology. The aim of this paper is to clarify the TTM, conditions of its validity and nonvalidity, its modifications for nano-systems, to sum-up the progress, and to point out open problems in this field. We also give a phenomenological integro-differential equation for the kinetics of nondegenerate electrons that goes beyond the TTM.

  17. Kinetic modelling of runaway electrons in dynamic scenarios

    Science.gov (United States)

    Stahl, A.; Embréus, O.; Papp, G.; Landreman, M.; Fülöp, T.

    2016-11-01

    Improved understanding of runaway-electron formation and decay processes are of prime interest for the safe operation of large tokamaks, and the dynamics of the runaway electrons during dynamical scenarios such as disruptions are of particular concern. In this paper, we present kinetic modelling of scenarios with time-dependent plasma parameters; in particular, we investigate hot-tail runaway generation during a rapid drop in plasma temperature. With the goal of studying runaway-electron generation with a self-consistent electric-field evolution, we also discuss the implementation of a collision operator that conserves momentum and energy and demonstrate its properties. An operator for avalanche runaway-electron generation, which takes the energy dependence of the scattering cross section and the runaway distribution into account, is investigated. We show that the simplified avalanche model of Rosenbluth and Putvinskii (1997 Nucl. Fusion 37 1355) can give inaccurate results for the avalanche growth rate (either lower or higher) for many parameters, especially when the average runaway energy is modest, such as during the initial phase of the avalanche multiplication. The developments presented pave the way for improved modelling of runaway-electron dynamics during disruptions or other dynamic events.

  18. MARTINI Model for Physisorption of Organic Molecules on Graphite

    NARCIS (Netherlands)

    Gobbo, Cristian; Beurroies, Isabelle; de Ridder, David; Eelkema, Rienk; Marrink, Siewert J.; De Feyter, Steven; van Esch, Jan H.; de Vries, Alex H.

    2013-01-01

    An extension to the MARTINI coarse-grained model is presented to describe the adsorption of organic molecules on graphite surfaces. The model allows the study of the dynamics of the preferential adsorption of long-chain organic molecules from solvent and the formation of ordered structures on the su

  19. Yeast and filamentous fungi as model organisms in microbody research

    NARCIS (Netherlands)

    Klei, Ida J. van der; Veenhuis, Marten

    2006-01-01

    Yeast and filamentous fungi are important model organisms in microbody research. The value of these organisms as models for higher eukaryotes is underscored by the observation that the principles of various aspects of microbody biology are strongly conserved from lower to higher eukaryotes. This has

  20. 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...

  1. 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)

  2. Directly patternable, highly conducting polymers for broad applications in organic electronics.

    Science.gov (United States)

    Yoo, Joung Eun; Lee, Kwang Seok; Garcia, Andres; Tarver, Jacob; Gomez, Enrique D; Baldwin, Kimberly; Sun, Yangming; Meng, Hong; Nguyen, Thuc-Quyen; Loo, Yueh-Lin

    2010-03-30

    Postdeposition solvent annealing of water-dispersible conducting polymers induces dramatic structural rearrangement and improves electrical conductivities by more than two orders of magnitude. We attain electrical conductivities in excess of 50 S/cm when polyaniline films are exposed to dichloroacetic acid. Subjecting commercially available poly(ethylene dioxythiophene) to the same treatment yields a conductivity as high as 250 S/cm. This process has enabled the wide incorporation of conducting polymers in organic electronics; conducting polymers that are not typically processable can now be deposited from solution and their conductivities subsequently enhanced to practical levels via a simple and straightforward solvent annealing process. The treated conducting polymers are thus promising alternatives for metals as source and drain electrodes in organic thin-film transistors as well as for transparent metal oxide conductors as anodes in organic solar cells and light-emitting diodes.

  3. Control of electronic properties of organic conductors by hydrostatic and uniaxial compression

    Energy Technology Data Exchange (ETDEWEB)

    Kagoshima, S.; Kondo, R.; Hirai, H.; Shibata, T.; Kaga, Y. [Tokyo Univ. (Japan). Dept. of Basic Science; Maesato, M. [Kyoto Univ. (Japan). Dept. of Chemistry

    2001-01-01

    We developed the uniaxial strain method to artificially control the electronic properties of organic conductors by reducing the intermolecular distance along a desired direction without changing those along others. Using this method, we were able to cause and enhance superconductivity in two-dimensional organic conductors, {alpha}-(BEDT-TTF){sub 2}KHg(SCN){sub 4} and its isostructural compound having NH{sub 4} instead of K. We found that these two compounds show essentially the same properties if their lattice parameters are appropriately reduced by the uniaxial strain method, although they show quite different properties under ambient and hydrostatic pressures. In the one-dimensional organic superconductor (TMTSF){sub 2}PF{sub 6}, we found a novel result that is contradictory to the current interpretation for the suppression of spin density waves under pressures. (orig.)

  4. 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.

  5. Constraint-Based Modeling of Carbon Fixation and the Energetics of Electron Transfer in Geobacter metallireducens

    Energy Technology Data Exchange (ETDEWEB)

    Feist, AM; Nagarajan, H; Rotaru, AE; Tremblay, PL; Zhang, T; Nevin, KP; Lovley, DR; Zengler, K

    2014-04-24

    Geobacter species are of great interest for environmental and biotechnology applications as they can carry out direct electron transfer to insoluble metals or other microorganisms and have the ability to assimilate inorganic carbon. Here, we report on the capability and key enabling metabolic machinery of Geobacter metallireducens GS-15 to carry out CO2 fixation and direct electron transfer to iron. An updated metabolic reconstruction was generated, growth screens on targeted conditions of interest were performed, and constraint-based analysis was utilized to characterize and evaluate critical pathways and reactions in G. metallireducens. The novel capability of G. metallireducens to grow autotrophically with formate and Fe(III) was predicted and subsequently validated in vivo. Additionally, the energetic cost of transferring electrons to an external electron acceptor was determined through analysis of growth experiments carried out using three different electron acceptors (Fe(III), nitrate, and fumarate) by systematically isolating and examining different parts of the electron transport chain. The updated reconstruction will serve as a knowledgebase for understanding and engineering Geobacter and similar species. Author Summary The ability of microorganisms to exchange electrons directly with their environment has large implications for our knowledge of industrial and environmental processes. For decades, it has been known that microbes can use electrodes as electron acceptors in microbial fuel cell settings. Geobacter metallireducens has been one of the model organisms for characterizing microbe-electrode interactions as well as environmental processes such as bioremediation. Here, we significantly expand the knowledge of metabolism and energetics of this model organism by employing constraint-based metabolic modeling. Through this analysis, we build the metabolic pathways necessary for carbon fixation, a desirable property for industrial chemical production. We

  6. Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions: A Combined EPR and DFT Study.

    Science.gov (United States)

    Mardis, Kristy L; Webb, Jeremy N; Holloway, Tarita; Niklas, Jens; Poluektov, Oleg G

    2015-12-03

    Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advanced electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC71BM.

  7. Influence of chemical and structural evolution of dissolved organic matter on electron transfer capacity during composting

    Energy Technology Data Exchange (ETDEWEB)

    He, Xiao-Song [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Xi, Bei-Dou, E-mail: hexs82@126.com [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Cui, Dong-Yu [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Liu, Yong [Guangdong Key Laboratory of Agro-Environmental Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650 (China); Tan, Wen-Bin; Pan, Hong-Wei; Li, Dan [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China)

    2014-03-01

    Highlights: • Electron transfer capability (ETC) of compost-derived DOM was investigated. • Composting treatment increased the ETC of DOM from municipal solid wastes. • The ETC increase related to humic matter, and molecule weight, and N and S content. - Abstract: Dissolved organic matter (DOM) can mediate electron transfer and change chemical speciation of heavy metals. In this study, the electron transfer capability (ETC) of compost-derived DOM was investigated through electrochemical approaches, and the factors influencing the ETC were studied using spectral and elemental analysis. The results showed that the electron accepting capacity (EAC) and electron donating capacity (EDC) of compost-derived DOM were 3.29–40.14 μmol{sub e−} (g C){sup −1} and 57.1– 346.07 μmol{sub e−} (g C){sup −1}, respectively. Composting treatment increased the fulvic- and humic-like substance content, oxygenated aliphatic carbon content, lignin-derived aromatic carbon content, molecule weight, and N and S content of DOM, but decreased the aliphatic carbon content and the C and H content. This conversion increased the EDC and EAC of the DOM during composting.

  8. The Impact of Interlayer Electronic Coupling on Charge Transport in Organic Semiconductors: A Case Study on Titanylphthalocyanine Single Crystals.

    Science.gov (United States)

    Zhang, Zongpeng; Jiang, Lang; Cheng, Changli; Zhen, Yonggang; Zhao, Guangyao; Geng, Hua; Yi, Yuanping; Li, Liqiang; Dong, Huanli; Shuai, Zhigang; Hu, Wenping

    2016-04-18

    Traditionally, it is believed that three-dimensional transport networks are preferable to those of lower dimensions. We demonstrate that inter-layer electronic couplings may result in a drastic decrease of charge mobilities by utilizing field-effect transistors (FET) based on two phases of titanyl phthalocyanine (TiOPc) crystals. The α-phase crystals with electronic couplings along two dimensions show a maximum mobility up to 26.8 cm(2)  V(-1)  s(-1) . In sharp contrast, the β-phase crystals with extra significant inter-layer electronic couplings show a maximum mobility of only 0.1 cm(2)  V(-1)  s(-1) . Theoretical calculations on the bulk crystals and model slabs reveal that the inter-layer electronic couplings for the β-phase devices will diminish remarkably the device charge transport abilities owing to the coupling direction perpendicular to the current direction. This work provides new insights into the impact of the dimensionality and directionality of the packing arrangements on charge transport in organic semiconductors.

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

    DEFF Research Database (Denmark)

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

    2005-01-01

    ,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA, Fig. 1c) film surfaces, respectively, in order to form organic–organic interfaces so that molecules constituting the interfacing layers differ by the substituent group. The surface potential and the density of unoccupied electron states (DOUS) located 5–25 eV above the Fermi...... serve for decreasing of the energy corresponding to the σ*1 and σ*2 bands and the sub-bands within them while an addition of a benzene-like fragment would do the opposite. The BPTCDI/PTCDA and BNTCDI/NTCDA interfaces were found non-reacted and a 4.1±0.1 eV work function value for both BPTCDI and BNTCDI...... films was determined, which is about 0.25 eV lower than the work functions of the PTCDA and the NTCDA films....

  10. Electron-gas clusters: the ultimate jellium model

    Science.gov (United States)

    Koskinen, M.; Lipas, P. O.; Manninen, M.

    1995-12-01

    The local spin-density approximation is used to calculate ground- and isomeric-state geometries of jellium clusters with 2 to 22 electrons. The positive background charge of the model is completely deformable, both in shape and in density. The model has no input parameters. The resulting shapes of the clusters exhibit breaking of axial and inversion symmetries; in general the shapes are far from ellipsoidal. Those clusters which lack inversion symmetry are extremely soft against odd-multipole deformations. Some clusters can be interpreted as molecules built from magic clusters. The deformation produces a gap at the Fermi level. This results in a regular odd-even staggering of the total energy per electron and of the HOMO level. The strongly deformed 14-electron cluster is semimagic. Stable isomers are predicted. The splitting of the plasmon resonance due to deformation is estimated on a classical argument.

  11. 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.

  12. Electronic market models for decision support systems on the Web

    Institute of Scientific and Technical Information of China (English)

    谢勇; 王红卫; 费奇

    2004-01-01

    With the prevalence of the Web, most decision-makers are likely to use the Web to support their decision-making. Web-based technologies are leading a major stream of researching decision support systems (DSS). We propose a formal definition and a conceptual framework for Web-based open DSS (WODSS). The formal definition gives an overall view of WODSS, and the conceptual framework based on browser/broker/server computing mode employs the electronic market to mediate decision-makers and providers, and facilitate sharing and reusing of decision resources. We also develop an admitting model, a trading model and a competing model of electronic market in WODSS based on market theory in economics. These models reveal the key mechanisms that drive WODSS operate efficiently.

  13. Fuse Modeling for Reliability Study of Power Electronics 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...

  14. An Emerging Model for Student Feedback: Electronic Distributed Evaluation

    Science.gov (United States)

    Brunk-Chavez, Beth; Arrigucci, Annette

    2012-01-01

    In this article we address several issues and challenges that the evaluation of writing presents individual instructors and composition programs as a whole. We present electronic distributed evaluation, or EDE, as an emerging model for feedback on student writing and describe how it was integrated into our program's course redesign. Because the…

  15. 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

  16. Fuse Modeling for Reliability Study of Power Electronics 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...

  17. High power electronics package: from modeling to implementation

    NARCIS (Netherlands)

    Yuan, C.A.; Kregting, R.; Ye, H.; Driel, W. van; Gielen, A.W.J.; Zhang, G.Q.

    2011-01-01

    Power electronics, such as high power RF components and high power LEDs, requires the combination of robust and reliable package structures, materials, and processes to guarantee their functional performance and lifetime. We started with the thermal and thermal-mechanical modeling of such component

  18. Dimers of Azurin as model systems for electron transfer

    NARCIS (Netherlands)

    Jongh, Thyra Estrid de

    2006-01-01

    This thesis describes the investigation of crosslinked complexes of the blue copper protein azurin by means of spectroscopic techniques such as Uv-Vis and NMR as well as by X-ray crystallography. These non-physiological dimers serve as model systems for interprotein electron transfer (ET) and allow

  19. 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

  20. 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…

  1. Functional models of power electronic components for system studies

    Science.gov (United States)

    Tam, Kwa-Sur; Yang, Lifeng; Dravid, Narayan

    1991-01-01

    A novel approach to model power electronic circuits has been developed to facilitate simulation studies of system-level issues. The underlying concept for this approach is to develop an equivalent circuit, the functional model, that performs the same functions as the actual circuit but whose operation can be simulated by using larger time step size and the reduction in model complexity, the computation time required by a functional model is significantly shorter than that required by alternative approaches. The authors present this novel modeling approach and discuss the functional models of two major power electronic components, the DC/DC converter unit and the load converter, that are being considered by NASA for use in the Space Station Freedom electric power system. The validity of these models is established by comparing the simulation results with available experimental data and other simulation results obtained by using a more established modeling approach. The usefulness of this approach is demonstrated by incorporating these models into a power system model and simulating the system responses and interactions between components under various conditions.

  2. Optimization Model for Environmental Stress Screening of Electronic Components

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Environmental stress screening (ESS) is a technological process to reduce the costly early field failure ofelectronic components. This paper builds an optimization model for ESS of electronic components to obtain the optimalESS duration. The failure phenomena of ESS are modeled by mix ed distribution, and optimal ESS duration is definedby maximizing life-cycle cost savings under the condition of meeting reliability requirement.

  3. 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.

  4. 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.

  5. 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…

  6. 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…

  7. A new parametrizable model of molecular electronic structure

    CERN Document Server

    Laikov, Dimitri N

    2011-01-01

    A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set of orthogonalized atom-centered basis functions, the variational equations being solved formally within the minimal basis but the effect of polarization functions being included in the spirit of second-order perturbation theory. It is designed to yield good dipole polarizabilities and improved intermolecular potentials with dispersion terms. The molecular integrals include up to three-center one-electron and two-center two-electron terms, all in simple analytical forms. A method to extract the effective one-electron Hamiltonian of nonlocal-exchange Kohn-Sham theory from the coupled-cluster one-electron density matrix is designed and used to get its matrix representation in a molecule-intrinsic minimal basis as an input to the paramtrization procedure -- making a direct link...

  8. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

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

    2006-01-01

    compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....

  9. 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

  10. 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.

  11. Electronic structure calculations for the study of D-π-A organic sensitizers: Exploring polythiophene linkers

    Energy Technology Data Exchange (ETDEWEB)

    Climent, Clàudia [Departament de Química Física, Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès, 1-11, 08028 Barcelona (Spain); Casanova, David, E-mail: david.casanova@ehu.es [IKERBASQUE, Basque Foundation for Science, 48011 Bilbao, Euskadi, Spain, and Kimika Fakultea, Euskal Herriko Unibertsitatea (UPV/EHU), Donostia, Euskadi, Spain. (Spain)

    2013-09-23

    Highlights: • We study D-π-A dyes with polythiophene (Tn) or polycyclopentadithiophene (Cn) linkers. • Molecular geometry plays a crucial role in the photophysical properties of organic dyes. • Cn linkers induce lower transition energies and larger oscillator strengths than Tn separators. • We discuss a variety of computational tools to quantify the CT nature of electronic transitions. • We compute ground and excited state oxidation potentials with a long-range corrected functional. - Abstract: In this work we present a detailed study of the atomic and electronic structure of a collection of push–pull organic dyes for high-performance sensitized solar cells (DSSCs). We compare the computed photophysical properties of donor-bridge-acceptor (D-π-A) dyes with polythiophene (Tn) or polycyclopentadithiophene (Cn) conjugated linkers with up to four fused thiophene rings. Excitation energies to lowest excited singlet state have been rationalized by means of fragment and molecular orbitals. Vertical and adiabatic excitation energies are systematically lower for the Cn family and become smaller with the length of the molecular conjugation. We discuss a large variety of computational techniques for the characterization of the charge transfer (CT) nature of the electronic excitation. In addition to standard procedures to quantify CT character, we propose and explain several novel interaction based measures of CT. Finally, we have computed ground and excited state oxidation potentials (GSOP and ESOP) with long-range corrected (LRC) functional.

  12. Evolutionary Model to Traditional Culture and Program Organization

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jing-xiao; JIN Wei-xing; YANG De-qin

    2006-01-01

    To study the relationship between the evolutions of Chinese Traditional Culture (CTC) and program organization, an outline of the CTC is generalized by reviewing literature, and which is also compartmentalized into two aspects according to economic philosophy views: traditional philosophy aspect and value judgment. Based on three dimensions, which are the philosophy aspect (P), program organization model (P), and value judgment from economic philosophy views (V), and this evolution sequence, the CTC's influence on the program organization model in the evolution is discussed; then the cultural spatial evolution model for program organization based on the three dimensions (PPV) is constructed. From analyzing the plane matrix of P-P and empirical investigating on the organizational model of construction enterprises, it is found that the ancient Chinese government organizational model still has prevailing influence on the modern program organizational model in China.

  13. 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.

  14. Mathematical models of cell self-organization

    Directory of Open Access Journals (Sweden)

    Benoît Perthame

    2011-04-01

    More recently nonlinear hyperbolic and kinetic models also have been used to describe the phenomena at a smaller scale. We explain here some motivations for ‘microscopic’ descriptions, the mathematical difficulties arising in their analysis and how kinetic models can help in understanding the unity of these descriptions.

  15. Exploring Organic Mechanistic Puzzles with Molecular Modeling

    Science.gov (United States)

    Horowitz, Gail; Schwartz, Gary

    2004-01-01

    The molecular modeling was used to reinforce more general skills such as deducing and drawing reaction mechanisms, analyzing reaction kinetics and thermodynamics and drawing reaction coordinate energy diagrams. This modeling was done through the design of mechanistic puzzles, involving reactions not familiar to the students.

  16. Co-functionalized organic/inorganic hybrid ZnO nanorods as electron transporting layers for inverted organic solar cells

    Science.gov (United States)

    Ambade, Swapnil B.; Ambade, Rohan B.; Eom, Seung Hun; Baek, Myung-Jin; Bagde, Sushil S.; Mane, Rajaram S.; Lee, Soo-Hyoung

    2016-02-01

    In an unprecedented attempt, we present an interesting approach of coupling solution processed ZnO planar nanorods (NRs) by an organic small molecule (SM) with a strong electron withdrawing cyano moiety and the carboxylic group as binding sites by a facile co-functionalization approach. Direct functionalization by SMs (SM-ZnO NRs) leads to higher aggregation owing to the weaker solubility of SMs in solutions of ZnO NRs dispersed in chlorobenzene (CB). A prior addition of organic 2-(2-methoxyethoxy)acetic acid (MEA) over ZnO NRs not only inhibits aggregation of SMs over ZnO NRs, but also provides enough sites for the SM to strongly couple with the ZnO NRs to yield transparent SM-MEA-ZnO NRs hybrids that exhibited excellent capability as electron transporting layers (ETLs) in inverted organic solar cells (iOSCs) of P3HT:PC60BM bulk-heterojunction (BHJ) photoactive layers. A strongly coupled SM-MEA-ZnO NR hybrid reduces the series resistance by enhancing the interfacial area and tunes the energy level alignment at the interface between the (indium-doped tin oxide, ITO) cathode and BHJ photoactive layers. A significant enhancement in power conversion efficiency (PCE) was achieved for iOSCs comprising ETLs of SM-MEA-ZnO NRs (3.64%) advancing from 0.9% for pristine ZnO NRs, while the iOSCs of aggregated SM-ZnO NRs ETL exhibited a much lower PCE of 2.6%, thus demonstrating the potential of the co-functionalization approach. The superiority of the co-functionalized SM-MEA-ZnO NRs ETL is also evident from the highest PCE of 7.38% obtained for the iOSCs comprising BHJ of PTB7-Th:PC60BM compared with extremely poor 0.05% for non-functionalized ZnO NRs.In an unprecedented attempt, we present an interesting approach of coupling solution processed ZnO planar nanorods (NRs) by an organic small molecule (SM) with a strong electron withdrawing cyano moiety and the carboxylic group as binding sites by a facile co-functionalization approach. Direct functionalization by SMs (SM

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

    Science.gov (United States)

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

    2016-05-10

    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 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 and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC-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, NEVPT2, and the coupled cluster based CC2 and CC3.

  18. 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 O2 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 O2 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 O2 photo-reduction is actually operational in these organisms. We have established a simple method for the monitoring of FDP-mediated O2 photo-reduction, based on the measurement of redox kinetics of P700 (the electron donor of photosystem I) upon dark-to-light transition. The O2 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 O2 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.

  19. 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.

  20. 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

  1. Hopping electron model with geometrical frustration: kinetic Monte Carlo simulations

    Science.gov (United States)

    Terao, Takamichi

    2016-09-01

    The hopping electron model on the Kagome lattice was investigated by kinetic Monte Carlo simulations, and the non-equilibrium nature of the system was studied. We have numerically confirmed that aging phenomena are present in the autocorrelation function C ({t,tW )} of the electron system on the Kagome lattice, which is a geometrically frustrated lattice without any disorder. The waiting-time distributions p(τ ) of hopping electrons of the system on Kagome lattice has been also studied. It is confirmed that the profile of p (τ ) obtained at lower temperatures obeys the power-law behavior, which is a characteristic feature of continuous time random walk of electrons. These features were also compared with the characteristics of the Coulomb glass model, used as a model of disordered thin films and doped semiconductors. This work represents an advance in the understanding of the dynamics of geometrically frustrated systems and will serve as a basis for further studies of these physical systems.

  2. Microscopic modeling of magnetic-field effects on charge transport in organic semiconductors

    Science.gov (United States)

    Schellekens, A. J.; Wagemans, W.; Kersten, S. P.; Bobbert, P. A.; Koopmans, B.

    2011-08-01

    The stochastic Liouville equation is applied to the field of organic magnetoresistance to perform detailed microscopic calculations on the different proposed models. By adapting this equation, the influence of a magnetic field on the current in bipolaron, electron-hole pair, and triplet models is calculated. The simplicity and wide applicability of the stochastic Liouville equation makes it a powerful tool for interpreting experimental results on magnetoresistance measurements in organic semiconductors. New insights are gained on the influence of hopping rates and disorder on the magnetoresistance.

  3. [Models of the organization of neonatal screening].

    Science.gov (United States)

    Cassio, A; Piazzi, S; Colli, C; Balsamo, A; Bozza, D; Salardi, S; Sprovieri, G; Cacciari, E

    1994-01-01

    The authors evaluate the different organizational strategies of a congenital hypothyroidism screening program. Positive and negative aspects of laboratory screening tests (TSH only, T4-supplemental TSH, TSH and T4), organization strategies (centralization or decentralization), recall and first follow-up criteria are examined. The authors consider that the necessity for an early diagnostic confirmation can be associated with a precise etiologic diagnosis and an evaluation of the prenatal severity of congenital hypothyroidism factors. Some European and North-American experiences are compared with the activity of a regional Italian screening center.

  4. Analog electronic model of the lobster pyloric central pattern generator

    Energy Technology Data Exchange (ETDEWEB)

    Volkovskii, A [Institute for Nonlinear Science, University of California San Diego, CA (United States); Brugioni, S [Institute for Nonlinear Science, University of California San Diego, CA (United States); Istituto Nazionale di Ottica Applicata Largo E. Fermi 6 50125 Florence (Italy); Levi, R [Institute for Nonlinear Science, University of California San Diego, CA (United States); Rabinovich, M [Institute for Nonlinear Science, University of California San Diego, CA (United States); Selverston, A [Institute for Nonlinear Science, University of California San Diego, CA (United States); Abarbane, H D I [Institute for Nonlinear Science, University of California San Diego, CA (United States)

    2005-01-01

    An electronic circuit intended to simulate the nonlinear dynamics of a simplified 3-cell model of the pyloric central pattern generator in California spiny lobster stomato gastric ganglion is presented. The model employs the synaptic phase locked loop (SPLL) concept where the frequency of oscillations of a postsynaptic cell is mainly controlled by the synaptic current which depends on the phase shift between the oscillations. The theoretical study showed that the system has a stable steady state with correct phase shifts between the oscillations and that this regime is stable when the frequency of the pacemaker cell is varied over a wide range. The main bifurcations in the system were studied analytically, in computer simulations, and in experiments with the electronic circuit. The experimental measurements are in good agreement with the expectations of the theoretical model.

  5. 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.

  6. Fabrication of an Organic Light-Emitting Diode from New Host π Electron Rich Zinc Complex

    Science.gov (United States)

    Jafari, Mohammad Reza; Janghouri, Mohammad; Shahedi, Zahra

    2016-09-01

    A new π electron rich zinc complex was used as a fluorescent material in organic light-emitting diodes (OLEDs). Devices with a structure of indium tin oxide/poly (3,4-ethylenedi-oxythiophene):poly(styrenesulfonate) (PEDOT: PSS) (50 nm)/polyvinylcarbazole (60 nm)/Zn: %2 porphyrin derivatives (45 nm)/Al (150 nm) were fabricated. Porphyrin derivatives accounting for 2 wt.% in the π electron rich zinc complex were used as a host. The electroluminescence (EL) spectra of porphyrin derivatives indicated a red shift, as π electron rich zinc complex EL spectra. The device (4) has also a luminance of 3420 cd/m2 and maximum efficiency of 1.58 cd/A at 15 V, which are the highest values among four devices. The result of Commission International del'Eclairage (CIE) (X, Y) coordinate and EL spectrum of device (3) indicated that it is more red shifted compared to other devices. Results of this work indicate that π electron rich zinc complex is a promising host material for high efficiency red OLEDs and has a simple structure compared to Alq3-based devices.

  7. Spatial resolution of electron probe X-ray microanalysis on sections of organic (biological) material

    Energy Technology Data Exchange (ETDEWEB)

    Krefting, E.-R.; Felsmann, M.; Recker, A.; Feja, B.; Hoehling, H.J.; Reichelt, R. [Institut fuer Medizinische Physik und Biophysik, Westfaelische Wilhelms-Universitaet, Robert-Koch-Str. 31, 48149 Muenster (Germany); Reimer, L. [Physikalisches Institut, Westfaelische Wilhelms-Universitaet, Wilhelm-Klm-Str. 10, 48149 Muenster (Germany)

    1999-05-01

    A locally enhanced element concentration influences the result of an X-ray microanalysis at a neighbouring position. This influence was investigated for the first time systematically in organic (biological) material using sections of epoxy resin (thickness 0.5-2.5 {mu}m) containing a layer of pure gold. Wavelength and energy dispersive spectrometers were applied to analyse the X-rays generated by 15-35 keV electrons. Characteristic X-rays could be detected up to distances of several {mu}m from the gold layer. For example, for a 2.4 {mu}m thick section and 35 keV electrons the measured apparent gold concentration was above 0.1% (weight% per dry mass) at a distance of 10 {mu}m. Thus, the lateral resolution may be not better than a multiple of the section thickness. The apparent gold concentration at a given distance is proportional to the specimen thickness and increases with increasing electron energy. Monte Carlo simulations confirm the experimental results. The influence of a local enrichment depends on the particular specimen properties (e.g. thickness, density, mean atomic number), the electron energy, and the geometry of the detector with respect to the specimen. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  8. Calculation of the spectrum of quasiparticle electron excitations in organic molecular semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Tikhonov, E. V., E-mail: tikhonov@mig.phys.msu.ru [Moscow State University (Russian Federation); Uspenskii, Yu. A. [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Khokhlov, D. R. [Moscow State University (Russian Federation)

    2015-06-15

    A quasiparticle electronic spectrum belongs to the characteristics of nanoobjects that are most important for applications. The following methods of calculating the electronic spectrum are analyzed: the Kohn-Sham equations of the density functional theory (DFT), the hybrid functional method, the GW approximation, and the Lehmann approximation used in the spectral representation of one-electron Green’s function. The results of these approaches are compared with the data of photoemission measurements of benzene, PTCDA, and phthalocyanine (CuPc, H{sub 2}Pc, FePc, PtPc) molecules, which are typical representatives of organic molecular semiconductors (OMS). This comparison demonstrates that the Kohn-Sham equations of DFT incorrectly reproduce the electronic spectrum of OMS. The hybrid functional method correctly describes the spectrum of the valence and conduction bands; however, the HOMO-LUMO gap width is significantly underestimated. The correct gap width is obtained in both the GW approximation and the Lehmann approach, and the total energy in this approach can be calculated in the local density approximation of DFT.

  9. Modeling the influence of organic acids on soil weathering

    Science.gov (United States)

    Lawrence, Corey; Harden, Jennifer; Maher, Kate

    2014-08-01

    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.

  10. 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.

  11. Structural investigations of self-assembled monolayers for organic electronics: results from X-ray reflectivity.

    Science.gov (United States)

    Khassanov, Artoem; Steinrück, Hans-Georg; Schmaltz, Thomas; Magerl, Andreas; Halik, Marcus

    2015-07-21

    Self-assembled monolayers (SAMs) have been established as crucial interlayers and electronically active layers in organic electronic devices, such as organic light emitting diodes (OLEDs), organic photovoltaics (OPVs), organic thin film transistors (OTFTs), and nonvolatile memories (NVMs). The use of self-assembling functionalized organic molecules is beneficial due to mainly three advantages compared with common thin film deposition approaches. (1) Molecular self-assembly occurs with surface selectivity, determined by the interaction between the functional anchor group of the organic molecules and the target surface. (2) The film thickness of the resulting layers is perfectly controllable on the angstrom scale, due to the self-terminating film formation to only a single molecular layer. And finally, (3) the wide variability in the chemical structure of such molecules enables different SAM functionalities for devices, ranging from electrical insulation to charge storage to charge transport. The SAM approach can be further expanded by employing several functionalized molecules to create mixed SAMs with consequently mixed properties. The function of SAMs in devices depends not only on the chemical structure of the molecules but also on their final arrangement and orientation on the surface. A reliable and nondestructive in-depth characterization of SAMs on nonconductive oxide surfaces is still challenging because of the very small thickness and the impracticality of methods such as scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS). In this Account, we illustrate how X-ray reflectivity (XRR) provides analytical access to major questions of SAM composition, morphology, and even formation by means of investigations of pure and mixed SAMs based on phosphonic acids (PAs) of various chain structures on flat alumina (AlOx) surfaces. XRR is an analytical method that provides access to spatially averaged structural depth profiles over a relatively

  12. 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.

  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. Tunable Radiation Response in Hybrid Organic-Inorganic Gate Dielectrics for Low-Voltage Graphene Electronics.

    Science.gov (United States)

    Arnold, Heather N; Cress, Cory D; McMorrow, Julian J; Schmucker, Scott W; Sangwan, Vinod K; Jaber-Ansari, Laila; Kumar, Rajan; Puntambekar, Kanan P; Luck, Kyle A; Marks, Tobin J; Hersam, Mark C

    2016-03-01

    Solution-processed semiconductor and dielectric materials are attractive for future lightweight, low-voltage, flexible electronics, but their response to ionizing radiation environments is not well understood. Here, we investigate the radiation response of graphene field-effect transistors employing multilayer, solution-processed zirconia self-assembled nanodielectrics (Zr-SANDs) with ZrOx as a control. Total ionizing dose (TID) testing is carried out in situ using a vacuum ultraviolet source to a total radiant exposure (RE) of 23.1 μJ/cm(2). The data reveal competing charge density accumulation within and between the individual dielectric layers. Additional measurements of a modified Zr-SAND show that varying individual layer thicknesses within the gate dielectric tuned the TID response. This study thus establishes that the radiation response of graphene electronics can be tailored to achieve a desired radiation sensitivity by incorporating hybrid organic-inorganic gate dielectrics.

  15. Properties of two-dimensional electron gas containing self-organized quantum antidots

    Science.gov (United States)

    Vasilyev, Yu.; Suchalkin, S.; Zundel, M.; Heisenberg, D.; Eberl, K.; von Klitzing, K.

    1999-11-01

    A nonuniform two-dimensional electron gas in a heterojunction with inserted self-organized electrically inactive dots (acting as antidots) has been fabricated by molecular-beam epitaxy of AlGaAs/AlInAs/GaAs layer sequences. Transport measurements give the ratio of the transport mobility to the quantum mobility less than four, which suggests that the dominant scattering at low magnetic fields is the short-range scattering from the lateral potential of the antidots. Far-infrared cyclotron resonance (CR) spectra show an absorption mode as narrow as 0.5 cm-1 at high magnetic fields associated with the high-mobility electron gas formed between the antidot islands and confined in the lateral directions. The confinement energy of 14 cm-1 is derived from the CR spectra.

  16. Hybrid bio-organic interfaces with matchable nanoscale topography for durable high extracellular electron transfer activity.

    Science.gov (United States)

    Ding, Chunmei; Liu, Huan; Lv, Meiling; Zhao, Tianyi; Zhu, Ying; Jiang, Lei

    2014-07-21

    Here, we developed a novel hybrid bio-organic interface with matchable nano-scale topography between a polypyrrole nanowire array (PPy-NA) and the bacterium Shewanella, which enabled a remarkably increased extracellular electron transfer (EET) current from genus Shewanella over a rather long period. PPy-NA thus exhibited outstanding performance in mediating bacterial EET, which was superior to normal electrodes such as carbon plates, Au and tin-doped In₂O₃. It was proposed that the combined effect of the inherent electrochemical nature of PPy and the porous structured bacterial network that was generated on the PPy-NA enabled long-term stability, while the high efficiency was attributed to the enhanced electron transfer rate between PPy-NA and microbes caused by the enhanced local topological interactions.

  17. Inter-Fullerene Electronic Coupling Controls the Efficiency of Photoinduced Charge Generation in Organic Bulk Heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Larson, Bryon W. [Department of Chemistry, Colorado State University, 200 W Lake Street Fort Collins CO 80523 USA; Chemistry and Nanoscience Center, National Renewable Energy Laboratory, 15013 Denver West Parkway Golden CO 80401 USA; Reid, Obadiah G. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, 15013 Denver West Parkway Golden CO 80401 USA; Coffey, David C. [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, 15013 Denver West Parkway Golden CO 80401 USA; Department of Chemistry and Physics, Warren Wilson College, Swannanoa NC 28778 USA; Avdoshenko, Stanislav M. [Liebniz Institute for Solid State and Materials Research, Dresden D01069 Germany; Popov, Alexey A. [Liebniz Institute for Solid State and Materials Research, Dresden D01069 Germany; Boltalina, Olga V. [Department of Chemistry, Colorado State University, 200 W Lake Street Fort Collins CO 80523 USA; Strauss, Steven H. [Department of Chemistry, Colorado State University, 200 W Lake Street Fort Collins CO 80523 USA; Kopidakis, Nikos [Chemistry and Nanoscience Center, National Renewable Energy Laboratory, 15013 Denver West Parkway Golden CO 80401 USA; Rumbles, Garry [Department of Chemistry, Colorado State University, 200 W Lake Street Fort Collins CO 80523 USA; Chemistry and Nanoscience Center, National Renewable Energy Laboratory, 15013 Denver West Parkway Golden CO 80401 USA

    2016-09-26

    Photoinduced charge generation (PCG) dynamics are notoriously difficult to correlate with specific molecular properties in device relevant polymer:fullerene organic photovoltaic blend films due to the highly complex nature of the solid state blend morphology. Here, this study uses six judiciously selected trifluoromethylfullerenes blended with the prototypical polymer poly(3-hexylthiophene) and measure the PCG dynamics in 50 fs-500 ns time scales with time-resolved microwave conductivity and femtosecond transient absorption spectroscopy. The isomeric purity and thorough chemical characterization of the fullerenes used in this study allow for a detailed correlation between molecular properties, driving force, local intermolecular electronic coupling and, ultimately, the efficiency of PCG yield. The findings show that the molecular design of the fullerene not only determines inter-fullerene electronic coupling, but also influences the decay dynamics of free holes in the donor phase even when the polymer microstructure remains unchanged.

  18. Comparing risk attitudes of organic and non-organic farmers with a Bayesian random coefficient model

    NARCIS (Netherlands)

    Gardebroek, C.

    2006-01-01

    Organic farming is usually considered to be more risky than conventional farming, but the risk aversion of organic farmers compared with that of conventional farmers has not been studied. Using a non-structural approach to risk estimation, a Bayesian random coefficient model is used to obtain indivi

  19. 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.

  20. Improving CASINO performance for models with large number of electrons

    Energy Technology Data Exchange (ETDEWEB)

    Anton, L; Alfe, D; Hood, R Q; Tanqueray, D

    2009-05-13

    Quantum Monte Carlo calculations have at their core algorithms based on statistical ensembles of multidimensional random walkers which are straightforward to use on parallel computers. Nevertheless some computations have reached the limit of the memory resources for models with more than 1000 electrons because of the need to store a large amount of electronic orbitals related data. Besides that, for systems with large number of electrons, it is interesting to study if the evolution of one configuration of random walkers can be done faster in parallel. We present a comparative study of two ways to solve these problems: (1) distributed orbital data done with MPI or Unix inter-process communication tools, (2) second level parallelism for configuration computation.

  1. MODEL ORGANISMS USED IN MOLECULAR BIOLOGY OR MEDICAL RESEARCH

    Directory of Open Access Journals (Sweden)

    Pandey Govind

    2011-11-01

    Full Text Available A model organism is a non-human species that is studied to understand specific biological phenomena with the expectation that investigations made in the organism model will provide insight into the workings of other organisms. The model organisms are widely used to explore potential causes and treatments for human as well as animal diseases when experiments on animals or humans would be unfeasible or considered less ethical. Studying model organisms may be informative, but care must be taken when generalizing from one organism to another. Often, model organisms are chosen on the basis that they are amenable to experimental manipulation. When researchers look for an organism to use in their studies, they look for several traits. Among these are size, generation time, accessibility, manipulation, genetics, conservation of mechanisms and potential economic benefit. As comparative molecular biology has become more common, some researchers have sought model organisms from a wider assortment of lineages on the tree of life. There are many model organisms, such as viruses (e.g., Phage lambda virus, Tobacco mosaic virus, etc., bacteria (e.g., Bacillus subtilis, Escherichia coli, Pseudomonas fluorescens, Vibrio fischeri, etc., algae (e.g., Chlamydomonas reinhardtii, Emiliania huxleyi, etc., molds (e.g., Aspergillus nidulans, Neurospora crassa, etc., yeasts (e.g., Saccharomyces cerevisiae, Ustilago maydis, etc., higher plants (e.g., Arabidopsis thaliana, Lemna gibba, Lotus japonicus, Nicotiana tabaccum, Oryza sativa, Physcomitrella patens, Zea mays, etc. and animals (e.g., Caenorhabditis elegans, guinea pig, hamster, mouse, rat, cat, chicken, dog, frog, Hydra, Drosophila melanogaster fruit fly, fish, etc..

  2. 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.

  3. 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.

  4. 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.

  5. The fate of electron-hole pairs in polymer:fullerene blends for organic photovoltaics

    Science.gov (United States)

    Causa', Martina; de Jonghe-Risse, Jelissa; Scarongella, Mariateresa; Brauer, Jan C.; Buchaca-Domingo, Ester; Moser, Jacques-E.; Stingelin, Natalie; Banerji, Natalie

    2016-09-01

    There has been long-standing debate on how free charges are generated in donor:acceptor blends that are used in organic solar cells, and which are generally comprised of a complex phase morphology, where intermixed and neat phases of the donor and acceptor material co-exist. Here we resolve this question, basing our conclusions on Stark effect spectroscopy data obtained in the absence and presence of externally applied electric fields. Reconciling opposing views found in literature, we unambiguously demonstrate that the fate of photogenerated electron-hole pairs--whether they will dissociate to free charges or geminately recombine--is determined at ultrafast times, despite the fact that their actual spatial separation can be much slower. Our insights are important to further develop rational approaches towards material design and processing of organic solar cells, assisting to realize their purported promise as lead-free, third-generation energy technology that can reach efficiencies over 10%.

  6. More stable hybrid organic solar cells deposited on amorphous Si electron transfer layer

    Energy Technology Data Exchange (ETDEWEB)

    Samiee, Mehran; Modtland, Brian; Dalal, Vikram L., E-mail: vdalal@iastate.edu [Iowa State University, Dept. of Electrical and Computer Engineering, Ames, Iowa 50011 (United States); Aidarkhanov, Damir [Nazarbayev University, Astana (Kazakhstan)

    2014-05-26

    We report on defect densities, performance, and stability of organic/inorganic hybrid solar cells produced using n-doped inorganic amorphous silicon-carbide layers as the electron transport layer (ETL). The organic material was poly-3-hexyl-thiophene (P3HT) and heterojunction was formed using phenyl-C{sub 71}-Butyric-Acid-Methyl Ester (PCBM). For comparison, inverted solar cells fabricated using Cs{sub 2}CO{sub 3} as ETL were fabricated. Defect densities and subgap quantum efficiency curves were found to be nearly identical for both types of cells. The cells were subjected to 2xsun illumination and it was found that the cells produced using doped a-Si as ETL were much more stable than the cells produced using Cs{sub 2}CO{sub 3}.

  7. Novel non-conjugated main-chain hole-transporting polymers for organic electronics application.

    Science.gov (United States)

    Schelter, Jürgen; Mielke, Georg Felix; Köhnen, Anne; Wies, Jenna; Köber, Sebastian; Nuyken, Oskar; Meerholz, Klaus

    2010-09-01

    A new class of hole-transporting polymers for use in organic electronic devices such as organic light-emitting diodes (OLEDs) or photorefractive holographic storage devices has been synthesized. The polymers contain tetraarylbenzidines or tetraarylphenylenediamines as charge-transporting units in the polymer backbone and are connected by non-conjugating fluorene bridges. For use in OLEDs the novel polymers were functionalized with oxetane groups that can be cross-linked via a cationic ring opening polymerization to yield insoluble networks. Such insoluble films are necessary for the fabrication of multilayer devices by wet deposition techniques. The novel materials feature improved film-formation properties as demonstrated in green-emitting double-layer OLEDs.

  8. Multifunctional oxides for integrated manufacturing of efficient graphene electrodes for organic electronics

    Science.gov (United States)

    Kidambi, Piran R.; Weijtens, Christ; Robertson, John; Hofmann, Stephan; Meyer, Jens

    2015-02-01

    Using multi-functional oxide films, we report on the development of an integration strategy for scalable manufacturing of graphene-based transparent conducting electrodes (TCEs) for organic electronics. A number of fundamental and process challenges exists for efficient graphene-based TCEs, in particular, environmentally and thermally stable doping, interfacial band engineering for efficient charge injection/extraction, effective wetting, and process compatibility including masking and patterning. Here, we show that all of these challenges can be effectively addressed at once by coating graphene with a thin (>10 nm) metal oxide (MoO3 or WO3) layer. We demonstrate graphene electrode patterning without the need for conventional lithography and thereby achieve organic light emitting diodes with efficiencies exceeding those of standard indium tin oxide reference devices.

  9. The fate of electron-hole pairs in polymer:fullerene blends for organic photovoltaics.

    Science.gov (United States)

    Causa', Martina; De Jonghe-Risse, Jelissa; Scarongella, Mariateresa; Brauer, Jan C; Buchaca-Domingo, Ester; Moser, Jacques-E; Stingelin, Natalie; Banerji, Natalie

    2016-09-02

    There has been long-standing debate on how free charges are generated in donor:acceptor blends that are used in organic solar cells, and which are generally comprised of a complex phase morphology, where intermixed and neat phases of the donor and acceptor material co-exist. Here we resolve this question, basing our conclusions on Stark effect spectroscopy data obtained in the absence and presence of externally applied electric fields. Reconciling opposing views found in literature, we unambiguously demonstrate that the fate of photogenerated electron-hole pairs-whether they will dissociate to free charges or geminately recombine-is determined at ultrafast times, despite the fact that their actual spatial separation can be much slower. Our insights are important to further develop rational approaches towards material design and processing of organic solar cells, assisting to realize their purported promise as lead-free, third-generation energy technology that can reach efficiencies over 10%.

  10. 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...

  11. MATHEMATICAL MODELING OF EXTRACELLULAR ELECTRON TRANSFER IN BIOFILMS

    Energy Technology Data Exchange (ETDEWEB)

    Renslow, Ryan S.; Babauta, Jerome T.; Kuprat, Andrew P.; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim K.; Beyenal, Haluk

    2015-09-12

    Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as terminal electron acceptors for their metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce the requisite components for both mechanisms. In this study, a generic model is presented that incorporates the diffusion- and the conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to S. oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found in the literature. Our simulation results show that 1) biofilms having both mechanisms available, especially if they can interact, may have a metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of G. sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct parameters and cannot be assumed to have identical values. Finally, we determined that simulated cyclic and squarewave voltammetry based on our model are currently not capable of determining the specific percentages of extracellular electron transfer mechanisms in a biofilm. The developed model will be a critical tool for designing experiments to explain EET mechanisms.

  12. Modeling biofilms with dual extracellular electron transfer mechanisms

    Science.gov (United States)

    Renslow, Ryan; Babauta, Jerome; Kuprat, Andrew; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim; Beyenal, Haluk

    2013-01-01

    Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as terminal electron acceptors for their metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce the requisite components for both mechanisms. In this study, a generic model is presented that incorporates the diffusion- and the conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to S. oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found in the literature. Our simulation results show that 1) biofilms having both mechanisms available, especially if they can interact, may have a metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of G. sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct parameters and cannot be assumed to have identical values. Finally, we determined that simulated cyclic and squarewave voltammetry based on our model are currently not capable of determining the specific percentages of extracellular electron transfer mechanisms in a biofilm. The developed model will be a critical tool for designing experiments to explain EET mechanisms. PMID:24113651

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

    OpenAIRE

    Manuchehr Irandoust

    2016-01-01

    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 ...

  14. 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.

  15. Organic production in a dynamic CGE model

    DEFF Research Database (Denmark)

    Jacobsen, Lars Bo

    2004-01-01

    accumulation relationship for land, and an explicit modeling of the rate of stock accumulation (i.e., of land investment). We assume that land is industry specific, with land rentals adjusting to ensure that land supply equals land demand for each industry. Once the decision has been made to transform land...

  16. Nematodes: Model Organisms in High School Biology

    Science.gov (United States)

    Bliss, TJ; Anderson, Margery; Dillman, Adler; Yourick, Debra; Jett, Marti; Adams, Byron J.; Russell, RevaBeth

    2007-01-01

    In a collaborative effort between university researchers and high school science teachers, an inquiry-based laboratory module was designed using two species of insecticidal nematodes to help students apply scientific inquiry and elements of thoughtful experimental design. The learning experience and model are described in this article. (Contains 4…

  17. GUI-Based Document Access via SATCOMMS: Online Electronic Document Retrieval at the European Telecommunications Satellite Organization EUTELSAT.

    Science.gov (United States)

    Burton, Adrian P.

    1995-01-01

    Discusses accessing online electronic documents at the European Telecommunications Satellite Organization (EUTELSAT). Highlights include off-site paper document storage, the document management system, benefits, the EUTELSAT Standard IBM Access software, implementation, the development process, and future enhancements. (AEF)

  18. Domain organization of photosystem II in membranes of the cyanobacterium Synechocystis PCC6803 investigated by electron microscopy

    NARCIS (Netherlands)

    Folea, I. Mihaela; Zhang, Pengpeng; Aro, Eva-Mari; Boekema, Egbert J.

    2008-01-01

    The supramolecular organization of photosystem II (PSII) complexes in the photosynthetic membrane of the cyanobacterium Synechocystis 6803 was studied by electron microscopy. After mild detergent solubilization, crystalline PSII arrays were extracted in which dimeric PSII particles associate in mult

  19. All-organic sulfonium salts acting as efficient solution processed electron injection layer for PLEDs.

    Science.gov (United States)

    Georgiadou, Dimitra G; Vasilopoulou, Maria; Palilis, Leonidas C; Petsalakis, Ioannis D; Theodorakopoulos, Giannoula; Constantoudis, Vassilios; Kennou, Stella; Karantonis, Antonis; Dimotikali, Dimitra; Argitis, Panagiotis

    2013-12-11

    Herein we introduce the all-organic triphenylsulfonium (TPS) salts cathode interfacial layers (CILs), deposited from their methanolic solution, as a new simple strategy for circumventing the use of unstable low work function metals and obtaining charge balance and high electroluminescence efficiency in polymer light-emitting diodes (PLEDs). In particular, we show that the incorporation of TPS-triflate or TPS-nonaflate at the polymer/Al interface improved substantially the luminous efficiency of the device (from 2.4 to 7.9 cd/A) and reduced the turn-on and operating voltage, whereas an up to 4-fold increase in brightness (∼11 250 cd/m(2) for TPS-triflate and ∼14 682 cd/m(2) for TPS-nonaflate compared to ∼3221 cd/m(2) for the reference device) was observed in poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-(1,4-benzo-2,1',3-thiadiazole)] (F8BT)-based PLEDs. This was mainly attributed to the favorable decrease of the electron injection barrier, as derived from the open-circuit voltage (Voc) measurements, which was also assisted by the conduction of electrons through the triphenylsulfonium salt sites. Density functional theory calculations indicated that the total energy of the anionic (reduced) form of the salt, that is, upon placing an electron to its lowest unoccupied molecular orbital, is lower than its neutral state, rendering the TPS-salts stable upon electron transfer in the solid state. Finally, the morphology optimization of the TPS-salt interlayer through controlling the processing parameters was found to be critical for achieving efficient electron injection and transport at the respective interfaces.

  20. 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.