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Sample records for doped cu-phthalocyanine molecular

  1. Molecular resolution friction microscopy of Cu phthalocyanine thin films on dolomite (104) in water.

    Science.gov (United States)

    Nita, Paweł; Pimentel, Carlos; Luo, Feng; Milián-Medina, Begoña; Gierschner, Johannes; Pina, Carlos M; Gnecco, Enrico

    2014-07-21

    The reliability of ultrathin organic layers as active components for molecular electronic devices depends ultimately on an accurate characterization of the layer morphology and ability to withstand mechanical stresses on the nanoscale. To this end, since the molecular layers need to be electrically decoupled using thick insulating substrates, the use of AFM becomes mandatory. Here, we show how friction force microscopy (FFM) in water allows us to identify the orientation of copper(ii)phthalocyanine (CuPc) molecules previously self-assembled on a dolomite (104) mineral surface in ultra-high vacuum. The molecular features observed in the friction images show that the CuPc molecules are stacked in parallel rows with no preferential orientation with respect to the dolomite lattice, while the stacking features resemble well the single CuPc crystal structure. This proves that the substrate induction is low and makes friction force microscopy in water a suitable alternative to more demanding dynamic AFM techniques in ultra-high vacuum.

  2. Strongly enhanced Raman scattering of Cu-phthalocyanine sandwiched between graphene and Au(111).

    Science.gov (United States)

    Lin, Wan-Ing; Gholami, Mohammad Fardin; Beyer, Paul; Severin, Nikolai; Shao, Feng; Zenobi, Renato; Rabe, Jürgen P

    2017-01-05

    Graphene and flat gold have both been argued to enhance Raman scattering of molecular adsorbates through a chemical mechanism. Here we show that these two effects can add to each other. For Cu-phthalocyanine in between graphene and Au(111) on mica a Raman enhancement up to 68-fold has been observed.

  3. Time-of-flight analysis of charge mobility in a Cu-phthalocyanine-based discotic liquid crystal semiconductor

    OpenAIRE

    Fujikake, H; Murashige, T; Sugibayashi, M; Ohta, K.

    2004-01-01

    We used a time-of-flight method to study the charge carrier mobility properties of a molecular-aligned discotic liquid crystal semiconductor based on Cu-phthalocyanine. The heated isotropic-phase semiconductor material was sandwiched between transparent electrodes coated onto glass substrates without conventional alignment layers. This was then cooled, and a discotic liquid crystal semiconductor cell was obtained, which we used to make mobility measurements. The material had a fixed molecular...

  4. Time-of-flight analysis of charge mobility in a Cu-phthalocyanine-based discotic liquid crystal semiconductor

    Science.gov (United States)

    Fujikake, Hideo; Murashige, Takeshi; Sugibayashi, Makiko; Ohta, Kazuchika

    2004-10-01

    We used a time-of-flight method to study the charge carrier mobility properties of a molecular-aligned discotic liquid crystal semiconductor based on Cu-phthalocyanine. The heated isotropic-phase semiconductor material was sandwiched between transparent electrodes coated onto glass substrates without conventional alignment layers. This was then cooled, and a discotic liquid crystal semiconductor cell was obtained, which we used to make mobility measurements. The material had a fixed molecular alignment due to the supercooling of the hexagonal columnar mesophase. It was clarified that the carrier mobility for electrons was as high as it was for holes at room temperature. The maximum value of negative charge mobility reached 2.60×10-3cm2/Vs, although negative carrier mobility is often much lower than positive carrier mobility in other organic semiconductors, including conventional Cu-phthalocyanine vacuum-deposited films.

  5. Electronic structure differences between H(2)-, Fe-, Co-, and Cu-phthalocyanine highly oriented thin films observed using NEXAFS spectroscopy.

    Science.gov (United States)

    Willey, T M; Bagge-Hansen, M; Lee, J R I; Call, R; Landt, L; van Buuren, T; Colesniuc, C; Monton, C; Valmianski, I; Schuller, Ivan K

    2013-07-21

    Phthalocyanines, a class of macrocyclic, square planar molecules, are extensively studied as semiconductor materials for chemical sensors, dye-sensitized solar cells, and other applications. In this study, we use angular dependent near-edge x-ray absorption fine structure (NEXAFS) spectroscopy as a quantitative probe of the orientation and electronic structure of H2-, Fe-, Co-, and Cu-phthalocyanine molecular thin films. NEXAFS measurements at both the carbon and nitrogen K-edges reveal that phthalocyanine films deposited on sapphire have upright molecular orientations, while films up to 50 nm thick deposited on gold substrates contain prostrate molecules. Although great similarity is observed in the carbon and nitrogen K-edge NEXAFS spectra recorded for the films composed of prostrate molecules, the H2-phthalocyanine exhibits the cleanest angular dependence due to its purely out-of-plane π* resonances at the absorption onset. In contrast, organometallic-phthalocyanine nitrogen K-edges have a small in-plane resonance superimposed on this π* region that is due to a transition into molecular orbitals interacting with the 3dx(2)-y(2) empty state. NEXAFS spectra recorded at the metal L-edges for the prostrate films reveal dramatic variations in the angular dependence of specific resonances for the Cu-phthalocyanines compared with the Fe-, and Co-phthalocyanines. The Cu L3,2 edge exhibits a strong in-plane resonance, attributed to its b1g empty state with dx(2)-y(2) character at the Cu center. Conversely, the Fe- and Co- phthalocyanine L3,2 edges have strong out-of-plane resonances; these are attributed to transitions into not only b1g (dz(2)) but also eg states with dxz and dyz character at the metal center.

  6. Direct observation of hindered eccentric rotation of an individual molecule : Cu-phthalocyanine on C60

    NARCIS (Netherlands)

    Stöhr, Meike; Wagner, T; Gabriel, M; Weyers, B; Moller, R

    2002-01-01

    Individual Cu-phthalocyanine molecules have been investigated by scanning tunnel microscopy on a closed packed film of C-60 at various temperatures. The molecules are found to bind asymmetrically to one C-60. While they remain in one position at low temperature, they can hop between six equivalent p

  7. Direct observation of hindered eccentric rotation of an individual molecule : Cu-phthalocyanine on C60

    NARCIS (Netherlands)

    Stöhr, Meike; Wagner, T; Gabriel, M; Weyers, B; Moller, R

    2002-01-01

    Individual Cu-phthalocyanine molecules have been investigated by scanning tunnel microscopy on a closed packed film of C-60 at various temperatures. The molecules are found to bind asymmetrically to one C-60. While they remain in one position at low temperature, they can hop between six equivalent

  8. Controlling the Orbital Sequence in Individual Cu-Phthalocyanine Molecules

    NARCIS (Netherlands)

    Uhlmann, C.; Swart, I.; Repp, J.

    2013-01-01

    We report on the controlled change of the energetic ordering of molecular orbitals. Negatively charged copper(II)phthalocyanine on NaCl/Cu(100) undergoes a Jahn–Teller distortion that lifts the degeneracy of two frontier orbitals. The energetic order of the levels can be controlled by Au and Ag atom

  9. Controlling the Orbital Sequence in Individual Cu-Phthalocyanine Molecules

    NARCIS (Netherlands)

    Uhlmann, C.; Swart, I.; Repp, J.

    2013-01-01

    We report on the controlled change of the energetic ordering of molecular orbitals. Negatively charged copper(II)phthalocyanine on NaCl/Cu(100) undergoes a Jahn–Teller distortion that lifts the degeneracy of two frontier orbitals. The energetic order of the levels can be controlled by Au and Ag

  10. Molecularly doped metals.

    Science.gov (United States)

    Avnir, David

    2014-02-18

    The many millions of organic, inorganic, and bioorganic molecules represent a very rich library of chemical, biological, and physical properties that do not show up among the approximately 100 metals. The ability to imbue metals with any of these molecular properties would open up tremendous potential for the development of new materials. In addition to their traditional features and their traditional applications, metals would have new traits, which would merge their classical virtues such as conductivity and catalytic activity with the diverse properties of these molecules. In this Account, we describe a new materials methodology, which enables, for the first time, the incorporation and entrapment of small organic molecules, polymers, and biomolecules within metals. These new materials are denoted dopant@metal. The creation of dopant@metal yields new properties that are more than or different from the sum of the individual properties of the two components. So far we have developed methods for the doping of silver, copper, gold, iron, palladium, platinum, and some of their alloys, as well as Hg-Ag amalgams. We have successfully altered classical metal properties (such as conductivity), induced unorthodox properties (such as rendering a metal acidic or basic), used metals as heterogeneous matrices for homogeneous catalysts, and formed new metallic catalysts such as metals doped with organometallic complexes. In addition, we have created materials that straddle the border between polymers and metals, we have entrapped enzymes to form bioactive metals, we have induced chirality within metals, we have made corrosion-resistant iron, we formed efficient biocidal materials, and we demonstrated a new concept for batteries. We have developed a variety of methods for synthesizing dopant@metals including aqueous homogeneous and heterogeneous reductions of the metal cations, reductions in DMF, electrochemical entrapments, thermal decompositions of zerovalent metal carbonyls

  11. Molecular doping of graphene.

    Science.gov (United States)

    Wehling, T O; Novoselov, K S; Morozov, S V; Vdovin, E E; Katsnelson, M I; Geim, A K; Lichtenstein, A I

    2008-01-01

    Graphene is considered as one of the most promising materials for post silicon electronics, as it combines high electron mobility with atomic thickness [Novoselov et al. Science 2004, 306, 666-669. Novoselov et al. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 10451-10453]. The possibility of chemical doping and related excellent chemical sensor properties of graphene have been demonstrated experimentally [Schedin et al. Nat. Mater. 2007, 6, 652-655], but a microscopic understanding of these effects has been lacking, so far. In this letter, we present the first joint experimental and theoretical investigation of adsorbate-induced doping of graphene. A general relation between the doping strength and whether adsorbates are open- or closed-shell systems is demonstrated with the NO2 system: The single, open shell NO2 molecule is found to be a strong acceptor, whereas its closed shell dimer N2O4 causes only weak doping. This effect is pronounced by graphene's peculiar density of states (DOS), which provides an ideal situation for model studies of doping effects in semiconductors. We show that this DOS is ideal for "chemical sensor" applications and explain the recently observed [Schedin et al. Nat. Mater. 2007, 6, 652-655] NO2 single molecule detection.

  12. Photocatalytic Conversion of Carbon Dioxide Using Zn–Cu–Ga Layered Double Hydroxides Assembled with Cu Phthalocyanine: Cu in Contact with Gaseous Reactant is Needed for Methanol Generation

    Directory of Open Access Journals (Sweden)

    Kawamura Shogo

    2015-09-01

    Full Text Available Photocatalytic conversion of CO2 into fuels is an attractive option in terms of both reducing the increased concentration of atmospheric CO2 as well as generating renewable hydrocarbon fuels. It is necessary to investigate good catalysts for CO2 conversion and to clarify the mechanism irradiated by natural light. Layered Double Hydroxides (LDH have been attracting attention for CO2 photoreduction with the expectation of sorption capacity for CO2 in the layered space and tunable semiconductor properties as a result of the choice of metal cations. This study first clarifies the effects of Cu doping to LDH comprising Zn and Al or Ga. Cu could be incorporated in the cationic layers of LDH as divalent metal cations and/or interlayer anions as Cu(OH42−. The formation rates of methanol and CO were optimized for [Zn1.5Cu1.5Ga(OH8]+2Cu(OH42−·mH2O at a total rate of 560 nmol h−1 gcat−1 irradiated by UV–visible light. Cu phthalocyanine tetrasulfonate hydrate (CuPcTs4− and silver were effective as promoters of LDH for CO2 photoreduction. Especially, the total formation rate using CuPcTs-[Zn3Ga(OH8]+2CO32−·mH2O irradiated by visible light was 73% of that irradiated by UV–visible light. The promotion was based on HOMO–LUMO excitation of CuPcTs4− by visible light. The LUMO was distributed on N atoms of pyrrole rings bound to central Cu2+ ions. The photogenerated electrons diffused to the Cu site would photoreduce CO2 progressively in a similar way to inlayer and interlayer Cu sites in the LDH in this study.

  13. Electron transport in doped fullerene molecular junctions

    Science.gov (United States)

    Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

    The effect of doping on the electron transport of molecular junctions is analyzed in this paper. The doped fullerene molecules are stringed to two semi-infinite gold electrodes and analyzed at equilibrium and nonequilibrium conditions of these device configurations. The contemplation is done using nonequilibrium Green’s function (NEGF)-density functional theory (DFT) to evaluate its density of states (DOS), transmission coefficient, molecular orbitals, electron density, charge transfer, current, and conductance. We conclude from the elucidated results that Au-C16Li4-Au and Au-C16Ne4-Au devices behave as an ordinary p-n junction diode and a Zener diode, respectively. Moreover, these doped fullerene molecules do not lose their metallic nature when sandwiched between the pair of gold electrodes.

  14. Theoretical Scanning Tunnelling Microscopy Images of Metal (Fe, Co, Ni and Cu) Phthalocyanines

    Institute of Scientific and Technical Information of China (English)

    李群祥; 朱清时; 袁岚峰; 杨金龙; 侯建国

    2001-01-01

    The scanning tunnelling microscopy (STM) images of isolated iron phthalocyanine (FePc), cobalt phthalocyanine (CoPc), nickel phthalocyanine (NiPc) and copper phthalocyanine (CuPc) are simulated theoretically. All the simulated STM images show submolecular structures and reproduce well the features of the experimental images. The results show that there is a strong dependence of the STM images on the ion valence configuration of the metal ion. At the small tip bias voltages of less than 0.5 V, the central metal ions in NiPc and CuPc appear as holes in the molecular images, while they are the highlighted bumps in FePc and CoPc. The simulated images are interpreted by the fact that both FePc and CoPc systems have a significant dz2 character near the Fermi level while the NiPc and CuPc systems do not. Moreover, we predict that the central nickel ion for NiPc appears as a highlighted point when the tip bias voltage is larger than 0.7 V.

  15. Effect of molecular electrical doping on polyfuran based photovoltaic cells

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Shuwen; Opitz, Andreas; Salzmann, Ingo, E-mail: ingo.salzmann@physik.hu-berlin.de [Humboldt-Universität zu Berlin, Institut für Physik and IRIS Adlershof, Brook-Taylor Straße 6, 12489 Berlin (Germany); Frisch, Johannes [Helmholtz-Zentrum für Materialien und Energie GmbH, Bereich Solarenergieforschung, Albert-Einstein-Straße 15, 12489 Berlin (Germany); Cohen, Erez; Bendikov, Michael [Department of Organic Chemistry, Weizmann Institute of Science, 76100 Rehovot (Israel); Koch, Norbert [Humboldt-Universität zu Berlin, Institut für Physik and IRIS Adlershof, Brook-Taylor Straße 6, 12489 Berlin (Germany); Helmholtz-Zentrum für Materialien und Energie GmbH, Bereich Solarenergieforschung, Albert-Einstein-Straße 15, 12489 Berlin (Germany)

    2015-05-18

    The electronic, optical, and morphological properties of molecularly p-doped polyfuran (PF) films were investigated over a wide range of doping ratio in order to explore the impact of doping in photovoltaic applications. We find evidence for integer-charge transfer between PF and the prototypical molecular p-dopant tetrafluoro-tetracyanoquinodimethane (F4TCNQ) and employed the doped polymer in bilayer organic solar cells using fullerene as acceptor. The conductivity increase in the PF films at dopant loadings ≤2% significantly enhances the short-circuit current of photovoltaic devices. For higher doping ratios, however, F4TCNQ is found to precipitate at the heterojunction between the doped donor polymer and the fullerene acceptor. Ultraviolet photoelectron spectroscopy reveals that its presence acts beneficial to the energy-level alignment by doubling the open-circuit voltage of solar cells from 0.2 V to ca. 0.4 V, as compared to pristine PF.

  16. Origin and structure of polar domains in doped molecular crystals

    Science.gov (United States)

    Meirzadeh, E.; Azuri, I.; Qi, Y.; Ehre, D.; Rappe, A. M.; Lahav, M.; Kronik, L.; Lubomirsky, I.

    2016-11-01

    Doping is a primary tool for the modification of the properties of materials. Occlusion of guest molecules in crystals generally reduces their symmetry by the creation of polar domains, which engender polarization and pyroelectricity in the doped crystals. Here we describe a molecular-level determination of the structure of such polar domains, as created by low dopant concentrations (<0.5%). The approach comprises crystal engineering and pyroelectric measurements, together with dispersion-corrected density functional theory and classical molecular dynamics calculations of the doped crystals, using neutron diffraction data of the host at different temperatures. This approach is illustrated using centrosymmetric α-glycine crystals doped with minute amounts of different L-amino acids. The experimentally determined pyroelectric coefficients are explained by the structure and polarization calculations, thus providing strong support for the local and global understanding of how different dopants influence the properties of molecular crystals.

  17. Remote Molecular Doping of Colloidal Quantum Dot Photovoltaics

    KAUST Repository

    Kirmani, Ahmad R.

    2016-10-07

    In recent years colloidal quantum dot (CQD) photovoltaics have developed rapidly because of novel device architectures and robust surface passivation schemes. Achieving controlled net doping remains an important unsolved challenge for this field. Herein we present a general molecular doping platform for CQD solids employing a library of metal–organic complexes. Low effective ionization energy and high electron affinity complexes are shown to produce n- and p-doped CQD solids. We demonstrate the obvious advantage in solar cells by p-doping the CQD absorber layer. Employing photoemission spectroscopy, we identify two doping concentration regimes: lower concentrations lead to efficient doping, while higher concentrations also cause large surface dipoles creating energy barriers to carrier flow. Utilizing the lower concentration regime, we remove midgap electrons leading to 25% enhancement in the power conversion efficiency relative to undoped cells. Given the vast number of available metal–organic complexes, this approach opens new and facile routes to tuning the properties of CQDs for various applications without necessarily resorting to new ligand chemistries.

  18. Charge transport in photochemically modified molecularly doped polymers

    Science.gov (United States)

    Stasiak, James W.; Storch, Teresa J.; Mao, Erji

    1995-08-01

    Hole mobilities in p-diethylaminobenzaldehyde diphenylhydrazone (DEH) doped polycarbonate films are determined using the time-of-flight transient photocurrent technique. Measurements of hole transport parameters are determined over a range of electric fields before and after the samples are deliberately irradiated with UV light. UV irradiation of the hole transport molecule DEH results in the creation of a photoproduct, 1-phenyl-3-(4- diethylamino-1-phenyl)-1, 3-indazole with moderately high efficiency. Once formed, this photoproduct has been shown to act as a barrier to hole conduction. We exploit this photochemical reaction to examine the hole transport properties in a molecularly doped polymer system containing DEH doped polycarbonate. We propose that the increase in concentration of the photoproduct modifies the intrinsic order of the system and provides a unique probe to distinguish between the disorder formalism of Baessler and coworkers and models which propose polaron formation.

  19. Stable doping of carbon nanotubes via molecular self assembly

    Energy Technology Data Exchange (ETDEWEB)

    Lee, B.; Chen, Y.; Podzorov, V., E-mail: podzorov@physics.rutgers.edu [Department of Physics and Institute for Advanced Materials and Devices for Nanotechnology, Rutgers University, New Jersey 08854 (United States); Cook, A.; Zakhidov, A. [Department of Physics and NanoTech Institute, University of Texas at Dallas, Richardson, Texas 75083 (United States)

    2014-10-14

    We report a novel method for stable doping of carbon nanotubes (CNT) based on methods of molecular self assembly. A conformal growth of a self-assembled monolayer of fluoroalkyl trichloro-silane (FTS) at CNT surfaces results in a strong increase of the sheet conductivity of CNT electrodes by 60–300%, depending on the CNT chirality and composition. The charge carrier mobility of undoped partially aligned CNT films was independently estimated in a field-effect transistor geometry (~100 cm²V⁻¹s⁻¹). The hole density induced by the FTS monolayer in CNT sheets is estimated to be ~1.8 ×10¹⁴cm⁻². We also show that FTS doping of CNT anodes greatly improves the performance of organic solar cells. This large and stable doping effect, easily achieved in large-area samples, makes this approach very attractive for applications of CNTs in transparent and flexible electronics.

  20. Photoluminescence Characterization of Boron-doped Si Layers Grown by Molecular Beam Epitaxy

    Institute of Scientific and Technical Information of China (English)

    LI Cheng; LAI Hong-kai; CHEN Song-yan

    2005-01-01

    Photoluminescence spectra were used to characterize the boron-doped Si layers grown by molecular beam epitaxy using HBO2 as the doping source. The influence of boron doping concentration on the dislocation-related photoluminescence spectra of molecular beam epitaxy Si layers annealed at 900 ℃ was studied with different doping concentrations and growth temperature. The broad photoluminescence band(from 0.75 eV to 0.90 eV) including D1 and D2 bands was associated with high boron doping concentration in the samples, while D3 and D4 bands might be related to oxygen precipitates.

  1. Molecular effects of supraphysiological doses of doping agents on health.

    Science.gov (United States)

    Imperlini, Esther; Mancini, Annamaria; Alfieri, Andreina; Martone, Domenico; Caterino, Marianna; Orrù, Stefania; Buono, Pasqualina

    2015-06-01

    Performance-enhancing drugs (PEDs) gained wide popularity not only among sportsmen but also among specific subsets of population, such as adolescents. Apart from their claimed effects on athletic performance, they are very appealing due to the body shaping effect exerted on fat mass and fat-free mass. Besides the "underestimated" massive misuse of PEDs, the short- as well as long-term consequences of such habits remain largely unrecognized. They have been strictly associated with serious adverse effects, but molecular mechanisms are yet to be elucidated. Here, we analyze the current understanding of the molecular effects of supraphysiological doses of doping agents in healthy biological systems, at genomic and proteomic levels, in order to define the molecular sensors of organ/tissue impairment, determined by their misuse. The focus is put on the anabolic androgenic steroids (AASs), specifically testosterone (T) and its most potent derivative dihydrotestosterone (DHT), and on the peptide hormones, specifically the growth hormone (GH) and the insulin-like growth factor-1 (IGF-1). A map of molecular targets is defined and the risk incidence for human health is taken into account.

  2. Perspective: Extremely fine tuning of doping enabled by combinatorial molecular-beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Wu, J.; Božović, I. [Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

    2015-06-01

    Chemical doping provides an effective method to control the electric properties of complex oxides. However, the state-of-art accuracy in controlling doping is limited to about 1%. This hampers elucidation of the precise doping dependences of physical properties and phenomena of interest, such as quantum phase transitions. Using the combinatorial molecular beam epitaxy, we improve the accuracy in tuning the doping level by two orders of magnitude. We illustrate this novel method by two examples: a systematic investigation of the doping dependence of interface superconductivity, and a study of the competing ground states in the vicinity of the insulator-to-superconductor transition.

  3. Perspective: Extremely fine tuning of doping enabled by combinatorial molecular-beam epitaxy

    Directory of Open Access Journals (Sweden)

    J. Wu

    2015-06-01

    Full Text Available Chemical doping provides an effective method to control the electric properties of complex oxides. However, the state-of-art accuracy in controlling doping is limited to about 1%. This hampers elucidation of the precise doping dependences of physical properties and phenomena of interest, such as quantum phase transitions. Using the combinatorial molecular beam epitaxy, we improve the accuracy in tuning the doping level by two orders of magnitude. We illustrate this novel method by two examples: a systematic investigation of the doping dependence of interface superconductivity, and a study of the competing ground states in the vicinity of the insulator-to-superconductor transition.

  4. Electroless Functionalization of Silver Films by Its Molecular Doping.

    Science.gov (United States)

    Naor, Hadas; Avnir, David

    2015-12-09

    We present a methodology which by far extends the potential applications of thin conductive silver films achieved by an electroless molecular doping process of the metal with any of the endless functional molecules that the large library of organic molecules offer. The resulting metallic films within which the molecule is entrapped--molecule@Ag--carry both the classical chemical and physical properties of silver films, as well as the function of the entrapped molecule. Raman measurements of the organic molecules from within the silver films provide the first spectroscopic observations from within silver, and clearly show that entrapment, a three-dimensional process, and adsorption, a two-dimensional process, on silver films are distinctly different processes. Three organic molecules, the cationic Neutral red, the anionic Congo red, and the antibacterial agent chlorhexidine digluconate (CH), were used to demonstrate the generality of this method for various types of molecules. We studied the sensitivity of the film conductivity to the type of the molecule entrapped within the film, to its concentration, and to temperature. Dual functionality was demonstrated with CH@Ag films, which are both conductive and have prolonged and high antibacterial activity, a combination of properties that has been unknown so far.

  5. Stable inverted small molecular organic solar cells using a p-doped optical spacer.

    Science.gov (United States)

    Lee, Sang-Hoon; Seo, Ji-Won; Lee, Jung-Yong

    2015-01-07

    We report inverted small molecular organic solar cells using a doped window layer as an optical spacer. The optical spacer was used to shift the optical field distribution inside the active layers, generating more charge carriers from sunlight. In this report, N,N,N',N'-tetrakis(4-methoxyphenyl)-benzidine (MeO-TPD) was doped with 2,2-(perfluoronaphthalene-2,6-diylidene)dimalononitrile (F6-TCNNQ), a p-type dopant material. P-doped MeO-TPD was adopted as an optical spacer because it has a large energy band gap, and its conductivity can be increased by several orders of magnitude through a doping process. As a result, a power conversion efficiency of 4.15% was achieved with the doped window layer of optimized thickness. Lastly, we present significantly improved stability of the inverted devices with the MeO-TPD layer.

  6. Molecular modeling of protonic acid doping of emeraldine base polyaniline for chemical sensors

    NARCIS (Netherlands)

    Chen, X.; Yuan, C.A.; Wong, C.K.Y.; Ye, H.; Leung, S.Y.Y.; Zhang, G.

    2012-01-01

    We proposed a molecular modeling methodology to study the protonic acid doping of emeraldine base polyaniline which can used in gas detection. The commercial forcefield COMPASS was used for the polymer and protonic acid molecules. The molecular model, which is capable of representing the polyaniline

  7. Doping Control Via Molecularly Engineered Surface Ligand Coordination

    KAUST Repository

    Yuan, Mingjian

    2013-08-05

    A means to control the net doping of a CQD solid is identified via the design of the bidentate ligand crosslinking the material. The strategy does not rely on implementing different atmospheres at different steps in device processing, but instead is a robust strategy implemented in a single processing ambient. We achieve an order of magnitude difference in doping that allows us to build a graded photovoltaic device and maintain high current and voltage at maximum power-point conditions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Field-assisted ionization of molecular doping in conjugated polymers

    NARCIS (Netherlands)

    Zhang, Y.; Blom, P.W.M.

    2010-01-01

    The field- and temperature dependence of the charge transport in solution-processed poly[2-methoxy-5-(2′-ethylhexyloxy)-p-phenylene vinylene] (MEH-PPV) doped with tetrafluoro- tetracyanoquinodimethane (F4-TCNQ) is investigated. Conventional charge transport models based on a density- and field-depen

  9. Rectifying Properties of a Nitrogen/Boron-Doped Capped-Carbon-Nanotube-Based Molecular Junction

    Institute of Scientific and Technical Information of China (English)

    ZHAO Peng; LIU De-Sheng; ZHANG Ying; WANG Pei-Ji; ZHANG Zhong

    2011-01-01

    @@ Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbonnanotube-based molecular junction.Obvious rectifying behavior is observed and it is strongly dependent on the doping site.The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer.Moreover, the rectifying performance can be further improved by adjusting the distance between the Cso nanotube caps.%Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbon-nanotube-based molecular junction. Obvious rectifying behavior is observed and it is strongly dependent on the doping site. The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer. Moreover, the rectifying performance can be further improved by adjusting the distance between the C60 nanotube caps.

  10. Molecular monolayers for doping silicon: from doping dose control to device applications

    NARCIS (Netherlands)

    Ye, Liang

    2016-01-01

    The evolution of the semiconductor industry calls for new techniques to address the challenges arising from the downscaling trend known as Moore’s law, which has brought electronic devices into the nano-regime. Monolayer doping (MLD) is an interesting alternative for the currently mostly employed io

  11. Deep levels in Ga-doped ZnSe grown by molecular-beam epitaxy

    Science.gov (United States)

    Venkatesan, S.; Pierret, R. F.; Qiu, J.; Kobayashi, M.; Gunshor, R. L.; Kolodziejski, L. A.

    1989-10-01

    Results of a deep-level transient spectroscopy study of Ga-doped ZnSe thin films grown by molecular-beam epitaxy are presented. Two prominent deep levels were observed in all the samples investigated. The concentration of the trap detected at 0.34 eV below the conduction-band edge was essentially independent of the doping concentration and is attributed to native defects arising from Se vacancies in the ZnSe films. The second level with an activation energy of 0.26 eV shows a very strong doping dependence and is tentatively identified as arising from dopant-site (gallium-on-zinc-site) defects complexed with selenium vacancies. Preliminary results also indicate that planar doping of ZnSe significantly reduces the concentration of the Ga-vacancy complex.

  12. Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers

    Directory of Open Access Journals (Sweden)

    David M. Goldie

    2016-11-01

    Full Text Available The possibility of employing cellular automata (CA to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agreement with an alternative analysis conducted using standard rate equations provided the molecular doping levels are sufficiently low to prohibit the presence of safe-sites which are impenetrable to dissolved oxygen. The CA models therefore offer the advantage of exploring the effect of dopant agglomeration which is difficult to assess from standard rate equation solutions. The influence of UV-induced bleaching or darkening upon the resulting oxidation dynamics may also be easily incorporated into the CA models and these optical effects are investigated for various photo-oxidation product scenarios. Output from the CA models is evaluated for experimental photo-oxidation data obtained from a series of hydrazone-doped polymers.

  13. Passivation of Molecular n-Doping: Exploring the Limits of Air Stability

    KAUST Repository

    Tietze, Max Lutz

    2016-03-03

    © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Molecular doping is a key technique for flexible and low-cost organic complementary semiconductor technologies that requires both efficient and stable p- and n-type doping. However, in contrast to molecular p-dopants, highly efficient n-type dopants are commonly sensitive to rapid degradation in air due to their low ionization energies (IEs) required for electron donation, e.g., IE = 2.4 eV for tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)ditungsten(II) (W2(hpp)4). Here, the air stability of various host:W2(hpp)4 combinations is compared by conductivity measurements and photoemission spectroscopy. A partial passivation of the n-doping against degradation is found, with this effect identified to depend on the specific energy levels of the host material. Since host-W2(hpp)4 electronic wavefunction hybridization is unlikely due to confinement of the dopant highest occupied molecular orbital (HOMO) to its molecular center, this finding is explained via stabilization of the dopant by single-electron transfer to a host material whose energy levels are sufficiently low for avoiding further charge transfer to oxygen-water complexes. Our results show the feasibility of temporarily handling n-doped organic thin films in air, e.g., during structuring of organic field effect transistors (OFETs) by lithography.

  14. Resonance of graphene nanoribbons doped with nitrogen and boron: a molecular dynamics study

    Directory of Open Access Journals (Sweden)

    Ye Wei

    2014-05-01

    Full Text Available Based on its enticing properties, graphene has been envisioned with applications in the area of electronics, photonics, sensors, bio-applications and others. To facilitate various applications, doping has been frequently used to manipulate the properties of graphene. Despite a number of studies conducted on doped graphene regarding its electrical and chemical properties, the impact of doping on the mechanical properties of graphene has been rarely discussed. A systematic study of the vibrational properties of graphene doped with nitrogen and boron is performed by means of a molecular dynamics simulation. The influence from different density or species of dopants has been assessed. It is found that the impacts on the quality factor, Q, resulting from different densities of dopants vary greatly, while the influence on the resonance frequency is insignificant. The reduction of the resonance frequency caused by doping with boron only is larger than the reduction caused by doping with both boron and nitrogen. This study gives a fundamental understanding of the resonance of graphene with different dopants, which may benefit their application as resonators.

  15. Molecular Electrical Doping of Organic Semiconductors: Fundamental Mechanisms and Emerging Dopant Design Rules.

    Science.gov (United States)

    Salzmann, Ingo; Heimel, Georg; Oehzelt, Martin; Winkler, Stefanie; Koch, Norbert

    2016-03-15

    Today's information society depends on our ability to controllably dope inorganic semiconductors, such as silicon, thereby tuning their electrical properties to application-specific demands. For optoelectronic devices, organic semiconductors, that is, conjugated polymers and molecules, have emerged as superior alternative owing to the ease of tuning their optical gap through chemical variability and their potential for low-cost, large-area processing on flexible substrates. There, the potential of molecular electrical doping for improving the performance of, for example, organic light-emitting devices or organic solar cells has only recently been established. The doping efficiency, however, remains conspicuously low, highlighting the fact that the underlying mechanisms of molecular doping in organic semiconductors are only little understood compared with their inorganic counterparts. Here, we review the broad range of phenomena observed upon molecularly doping organic semiconductors and identify two distinctly different scenarios: the pairwise formation of both organic semiconductor and dopant ions on one hand and the emergence of ground state charge transfer complexes between organic semiconductor and dopant through supramolecular hybridization of their respective frontier molecular orbitals on the other hand. Evidence for the occurrence of these two scenarios is subsequently discussed on the basis of the characteristic and strikingly different signatures of the individual species involved in the respective doping processes in a variety of spectroscopic techniques. The critical importance of a statistical view of doping, rather than a bimolecular picture, is then highlighted by employing numerical simulations, which reveal one of the main differences between inorganic and organic semiconductors to be their respective density of electronic states and the doping induced changes thereof. Engineering the density of states of doped organic semiconductors, the Fermi

  16. Ultrasensitive molecular sensor using N-doped graphene through enhanced Raman scattering.

    Science.gov (United States)

    Feng, Simin; Dos Santos, Maria Cristina; Carvalho, Bruno R; Lv, Ruitao; Li, Qing; Fujisawa, Kazunori; Elías, Ana Laura; Lei, Yu; Perea-López, Nestor; Endo, Morinobu; Pan, Minghu; Pimenta, Marcos A; Terrones, Mauricio

    2016-07-01

    As a novel and efficient surface analysis technique, graphene-enhanced Raman scattering (GERS) has attracted increasing research attention in recent years. In particular, chemically doped graphene exhibits improved GERS effects when compared with pristine graphene for certain dyes, and it can be used to efficiently detect trace amounts of molecules. However, the GERS mechanism remains an open question. We present a comprehensive study on the GERS effect of pristine graphene and nitrogen-doped graphene. By controlling nitrogen doping, the Fermi level (E F) of graphene shifts, and if this shift aligns with the lowest unoccupied molecular orbital (LUMO) of a molecule, charge transfer is enhanced, thus significantly amplifying the molecule's vibrational Raman modes. We confirmed these findings using different organic fluorescent molecules: rhodamine B, crystal violet, and methylene blue. The Raman signals from these dye molecules can be detected even for concentrations as low as 10(-11) M, thus providing outstanding molecular sensing capabilities. To explain our results, these nitrogen-doped graphene-molecule systems were modeled using dispersion-corrected density functional theory. Furthermore, we demonstrated that it is possible to determine the gaps between the highest occupied and the lowest unoccupied molecular orbitals (HOMO-LUMO) of different molecules when different laser excitations are used. Our simulated Raman spectra of the molecules also suggest that the measured Raman shifts come from the dyes that have an extra electron. This work demonstrates that nitrogen-doped graphene has enormous potential as a substrate when detecting low concentrations of molecules and could also allow for an effective identification of their HOMO-LUMO gaps.

  17. Poole-Frenkel mobility field dependence in molecularly doped polymers revisited

    Science.gov (United States)

    Tyutnev, A. P.; Saenko, V. S.

    2017-02-01

    We have examined the Poole-Frenkel mobility field dependence in a molecularly doped polymer (MDP) both experimentally and theoretically trying to separate two physically different contributions to this phenomenon, one constituting a real physical effect and the other arising from the fact that the charge carrier transport in MDP is not fully equilibrated. The former is ascribed to the influence of an electric field on the transport process itself affecting at least one of the model parameters. The latter should be associated with the mobility field effect under conditions when neither model parameter is field sensitive. Numerical calculations have been used to achieve their deconvolution. On the experimental front, we relied on the time of flight technique specifically modified to suit this task. Both approaches show that the contribution of the second (operational) field effect in the investigated MDP is quite appreciable. This result is compared with the traditional interpretation of the Poole-Frenkel effect in molecularly doped polymers.

  18. Recent Advance of Biological Molecular Imaging Based on Lanthanide-Doped Upconversion-Luminescent Nanomaterials

    Directory of Open Access Journals (Sweden)

    Yuanzeng Min

    2014-02-01

    Full Text Available Lanthanide-doped upconversion-luminescent nanoparticles (UCNPs, which can be excited by near-infrared (NIR laser irradiation to emit multiplex light, have been proven to be very useful for in vitro and in vivo molecular imaging studies. In comparison with the conventionally used down-conversion fluorescence imaging strategies, the NIR light excited luminescence of UCNPs displays high photostability, low cytotoxicity, little background auto-fluorescence, which allows for deep tissue penetration, making them attractive as contrast agents for biomedical imaging applications. In this review, we will mainly focus on the latest development of a new type of lanthanide-doped UCNP material and its main applications for in vitro and in vivo molecular imaging and we will also discuss the challenges and future perspectives.

  19. Verification of the dispersive charge transport in a hydrazone:polycarbonate molecularly doped polymer.

    Science.gov (United States)

    Tyutnev, Andrey P; Saenko, Vladimir S; Pozhidaev, Evgenii D; Kolesnikov, Vladislav A

    2009-03-18

    We report results of specially planned experiments intended to verify the dispersive character of the charge carrier transport in polycarbonate molecularly doped with hydrazone at 30 wt% loading, using for this purpose samples specifically featuring a well-defined plateau on a linear-linear plot. For this purpose we propose a new variant of the time-of-flight technique which allows easy changing of the generation zone width from about 0.5 µm (surface excitation) through intermediate values to full sample thickness (bulk excitation). To achieve this, we use electron pulses of 3-50 keV energy rather than traditional light pulses provided by lasers. Experimental results corroborated by numerical calculations uniquely prove that carrier transport in this molecularly doped polymer is dispersive, with the dispersion parameter equal to 0.75. Nevertheless, the mobility field dependence follows the famous Poole-Frenkel law.

  20. Long-wavelength PtSi infrared detectors fabricated by incorporating a p(+) doping spike grown by molecular beam epitaxy

    Science.gov (United States)

    Lin, T. L.; Park, J. S.; George, T.; Jones, E. W.; Fathauer, R. W.; Maserjian, J.

    1993-01-01

    By incorporating a 1-nm-thick p(+) doping spike at the PtSi/Si interface, we have successfully demonstrated extended cutoff wavelengths of PtSi Schottky infrared detectors in the long wavelength infrared (LWIR) regime for the first time. The extended cutoff wavelengths resulted from the combined effects of an increased electric field near the silicide/Si interface due to the p(+) doping spike and the Schottky image force. The p(+) doping spikes were grown by molecular beam epitaxy at 450 C, using elemental boron as the dopant source, with doping concentrations ranging from 5 x 10 exp 19 to 2 x 10 exp 20/cu cm. Transmission electron microscopy indicated good crystalline quality of the doping spikes. The cutoff wavelengths were shown to increase with increasing doping concentrations of the p(+) spikes. Thermionic emission dark current characteristics were observed and photoresponses in the LWIR regime were demonstrated.

  1. Synthesis of doped graphene nanoribbons from molecular and polymeric precursors

    Science.gov (United States)

    Cloke, Ryan Randal

    As electronic devices continue to shrink and energy problems continue to grow, nanoscale materials are becoming increasingly important. Graphene is a material with exceptional promise to complement silicon in next-generation electronics because of its extraordinary charge carrier mobility, while also finding a role in cutting-edge energy solutions due to its high surface area and conductivity. Improving on this material even further by reducing the width of graphene to nanoscale dimensions with atomically-precise dopant patterns is the subject of this thesis. Nanometer-wide strips of graphene, known as graphene nanoribbons (GNRs), offer the advantages of semiconducting behavior, combined with more accessible surface area compared to bulk graphene (Chapter 1). Additionally, it is demonstrated that GNRs can be doped with atomic precision, allowing for intricate modulation of the electronic properties of this material, which was studied by STM, STS, and nc-AFM (Chapter 2). Controlled growth of GNRs on surfaces is still an outstanding challenge within the field, and to this end, a variety of porphyrin-GNR template materials were synthesized (Chapter 3). The GNRs obtained in this work were also synthesized in solution, and it was shown that these materials possess excellent properties for applications in hydrogen storage, carbon dioxide reduction, and Li-ion batteries (Chapter 4). A prerequisite for solution-synthesized GNRs, conjugated aromatic polymers are an important class of materials in their own right. Therefore, Ring-Opening Alkyne Metathesis Polymerization was developed using conjugated, strained diynes (Chapter 5). The resulting conjugated polymers were explored both for their own materials properties due to a remarkable self-assembly process that was discovered, and also as precursors to GNRs (Chapter 6). This work advances the fundamental understanding of carbon-based nanostructures, as well as the large-scale production of GNRs for next-generation energy

  2. Self-doping of molecular quantum-dot cellular automata: mixed valence zwitterions.

    Science.gov (United States)

    Lu, Yuhui; Lent, Craig

    2011-09-07

    Molecular quantum-dot cellular automata (QCA) is a promising paradigm for realizing molecular electronics. In molecular QCA, binary information is encoded in the distribution of intramolecular charge, and Coulomb interactions between neighboring molecules combine to create long-range correlations in charge distribution that can be exploited for signal transfer and computation. Appropriate mixed-valence species are promising candidates for single-molecule device operation. A complication arises because many mixed-valence compounds are ions and the associated counterions can potentially disrupt the correct flow of information through the circuit. We suggest a self-doping mechanism which incorporates the counterion covalently into the structure of a neutral molecular cell, thus producing a zwitterionic mixed-valence complex. The counterion is located at the geometrical center of the QCA molecule and bound to the working dots via covalent bonds, thus avoiding counterion effects that bias the system toward one binary information state or the other. We investigate the feasibility of using multiply charged anion (MCA) boron clusters, specifically closo-borate dianion, as building blocks. A first principle calculation shows that neutral, bistable, and switchable QCA molecules are possible. The self-doping mechanism is confirmed by molecular orbital analysis, which shows that MCA counterions can be stabilized by the electrostatic interaction between negatively charged counterions and positively charged working dots. This journal is © the Owner Societies 2011

  3. Molecular doping of single-walled carbon nanotube transistors: optoelectronic study

    Science.gov (United States)

    Zhang, Jiangbin; Emelianov, Aleksei V.; Bakulin, Artem A.; Bobrinetskiy, Ivan I.

    2016-09-01

    Single-walled carbon nanotubes (SWCNT) are a promising material for future optoelectronic applications, including flexible electrodes and field-effect transistors. Molecular doping of carbon nanotube surface can be an effective way to control the electronic structure and charge dynamics of these material systems. Herein, two organic semiconductors with different energy level alignment in respect to SWCNT are used to dope the channel of the SWCNT-based transistor. The effects of doping on the device performance are studied with a set of optoelectronic measurements. For the studied system, we observed an opposite change in photo-resistance, depending on the type (electron donor vs electron acceptor) of the dopants. We attribute this effect to interplay between two effects: (i) the change in the carrier concentration and (ii) the formation of trapping states at the SWCNT surface. We also observed a modest 4 pA photocurrent generation in the doped systems, which indicates that the studied system could be used as a platform for multi-pulse optoelectronic experiments with photocurrent detection.

  4. Carbon doping in molecular beam epitaxy of GaAs from a heated graphite filament

    Science.gov (United States)

    Malik, R. J.; Nottenberg, R. N.; Schubert, E. F.; Walker, J. F.; Ryan, R. W.

    1988-01-01

    Carbon doping of GaAs grown by molecular beam epitaxy has been obtained for the first time by use of a heated graphite filament. Controlled carbon acceptor concentrations over the range of 10 to the 17th-10 to the 20th/cu cm were achieved by resistively heating a graphite filament with a direct current power supply. Capacitance-voltage, p/n junction and secondary-ion mass spectrometry measurements indicate that there is negligible diffusion of carbon during growth and with postgrowth rapid thermal annealing. Carbon was used for p-type doping in the base of Npn AlGaAs/GaAs heterojunction bipolar transistors. Current gains greater than 100 and near-ideal emitter heterojunctions were obtained in transistors with a carbon base doping of 1 x 10 to the 19th/cu cm. These preliminary results indicate that carbon doping from a solid graphite source may be an attractive substitute for beryllium, which is known to have a relatively high diffusion coefficient in GaAs.

  5. Switchable Multiple Spin States in the Kondo description of Doped Molecular Magnets

    Science.gov (United States)

    Ray, Rajyavardhan; Kumar, Sanjeev

    2017-01-01

    We show that introducing electrons in magnetic clusters and molecular magnets lead to rich phase diagrams with a variety of low-spin and high-spin states allowing for multiple switchability. The analysis is carried out for a quantum spin-fermion model using the exact diagonalization, and the cluster mean-field approach. The model is relevant for a number of molecular magnets with triangular motifs consisting of transition metal ions such as Cr, Cu and V. Re-entrant spin-state behavior and chirality on-off transitions exist over a wide parameter regime. A subtle competition among geometrical frustration effects, electron itinerancy, and Kondo coupling at the molecular level is highlighted. Our results demonstrate that electron doping provides a viable mean to tame the magnetic properties of molecular magnets towards potential technological applications. PMID:28176869

  6. Switchable Multiple Spin States in the Kondo description of Doped Molecular Magnets

    Science.gov (United States)

    Ray, Rajyavardhan; Kumar, Sanjeev

    2017-02-01

    We show that introducing electrons in magnetic clusters and molecular magnets lead to rich phase diagrams with a variety of low-spin and high-spin states allowing for multiple switchability. The analysis is carried out for a quantum spin-fermion model using the exact diagonalization, and the cluster mean-field approach. The model is relevant for a number of molecular magnets with triangular motifs consisting of transition metal ions such as Cr, Cu and V. Re-entrant spin-state behavior and chirality on-off transitions exist over a wide parameter regime. A subtle competition among geometrical frustration effects, electron itinerancy, and Kondo coupling at the molecular level is highlighted. Our results demonstrate that electron doping provides a viable mean to tame the magnetic properties of molecular magnets towards potential technological applications.

  7. Gd doped Au nanoclusters: Molecular magnets with novel properties

    KAUST Repository

    Mokkath, Junais Habeeb

    2014-01-01

    The structural, magnetic, and optical properties of subnanometer Au N and AuN-1Gd1 gas phase clusters (N = 2 to 8) are systematically investigated in the framework of (time-dependent) density functional theory, using the B3LYP hybrid exchange correlation functional. The size dependent evolution of the gap between the highest occupied and lowest unoccupied molecular orbitals, the magnetism, and the absorption spectra are studied. The simultaneous appearance of large magnetic moments, significant band gaps, and plasmon resonances in the visible spectral region leads to novel multi-functional nanomaterials for applications in drug delivery, magnetic resonance imaging, and photo-responsive agents. © 2013 Elsevier B.V. All rights reserved.

  8. The Electric and Optical Properties of Doped Small Molecular Organic Light-Emitting Devices

    CERN Document Server

    Kwang Ohk Cheo

    2003-01-01

    Organic light-emitting devices (OLEDs) constitute a new and exciting emissive display technology. In general, the basic OLED structure consists of a stack of fluorescent organic layers sandwiched between a transparent conducting-anode and metallic cathode. When an appropriate bias is applied to the device, holes are injected from the anode and electrons from the cathode; some of the recombination events between the holes and electrons result in electroluminescence (EL). Until now, most of the efforts in developing OLEDs have focused on display applications, hence on devices within the visible range. However some organic devices have been developed for ultraviolet or infrared emission. Various aspects of the device physics of doped small molecular OLEDs were described and discussed. The doping layer thickness and concentration were varied systematically to study their effects on device performances, energy transfer, and turn-off dynamics. Low-energy-gap DCM2 guest molecules, in either alpha-NPD or DPVBi host l...

  9. Molecular doping and band-gap opening of bilayer graphene.

    Science.gov (United States)

    Samuels, Alexander J; Carey, J David

    2013-03-26

    The ability to induce an energy band gap in bilayer graphene is an important development in graphene science and opens up potential applications in electronics and photonics. Here we report the emergence of permanent electronic and optical band gaps in bilayer graphene upon adsorption of π electron containing molecules. Adsorption of n- or p-type dopant molecules on one layer results in an asymmetric charge distribution between the top and bottom layers and in the formation of an energy gap. The resultant band gap scales linearly with induced carrier density though a slight asymmetry is found between n-type dopants, where the band gap varies as 47 meV/10(13) cm(-2), and p-type dopants where it varies as 40 meV/10(13) cm(-2). Decamethylcobaltocene (DMC, n-type) and 3,6-difluoro-2,5,7,7,8,8-hexacyano-quinodimethane (F2-HCNQ, p-type) are found to be the best molecules at inducing the largest electronic band gaps up to 0.15 eV. Optical adsorption transitions in the 2.8-4 μm region of the spectrum can result between states that are not Pauli blocked. Comparison is made between the band gaps calculated from adsorbate-induced electric fields and from average displacement fields found in dual gate bilayer graphene devices. A key advantage of using molecular adsorption with π electron containing molecules is that the high binding energy can induce a permanent band gap and open up possible uses of bilayer graphene in mid-infrared photonic or electronic device applications.

  10. A molecular superfluid: non-classical rotations in doped para-hydrogen clusters

    CERN Document Server

    Li, Hui; Roy, Pierre-Nicholas; McKellar, A R W; 10.1103/PhysRevLett.105.133401

    2010-01-01

    Clusters of para-hydrogen (pH2) have been predicted to exhibit superfluid behavior, but direct observation of this phenomenon has been elusive. Combining experiments and theoretical simulations, we have determined the size evolution of the superfluid response of pH2 clusters doped with carbon dioxide (CO2). Reduction of the effective inertia is observed when the dopant is surrounded by the pH2 solvent. This marks the onset of molecular superfluidity in pH2. The fractional occupation of solvation rings around CO2 correlates with enhanced superfluid response for certain cluster sizes.

  11. Analytical and numerical studies of photo-injected charge transport in molecularly-doped polymers

    Science.gov (United States)

    Roy Chowdhury, Amrita

    The mobility of photo-injected charge carriers in molecularly-doped polymers (MDPs) exhibits a commonly observed, and nearly universal Poole-Frenkel field dependence, mu exp√(beta0E), that has been shown to arise from the correlated Gaussian energy distribution of transport sites encountered by charges undergoing hopping transport through the material. Analytical and numerical studies of photo-injected charge transport in these materials are presented here with an attempt to understand how specific features of the various models developed to describe these systems depend on the microscopic parameters that define them. Specifically, previously published time-of-flight mobility data for the molecularly doped polymer 30% DEH:PC (polycarbonate doped with 30 wt.% aromatic hydrazone DEH) is compared with direct analytical and numerical predictions of five disorder-based models, the Gaussian disorder model (GDM) of Bassler, and four correlated disorder models introduced by Novikov, et al., and by Parris, et al. In these numerical studies, disorder parameters describing each model were varied from reasonable starting conditions, in order to give the best overall fit. The uncorrelated GDM describes the Poole-Frenkel field dependence of the mobility only at very high fields, but fails for fields lower than about 64 V/mum. The correlated disorder models with small amounts of geometrical disorder do a good over-all job of reproducing a robust Poole-Frenkel field dependence, with correlated disorder theories that employ polaron transition rates showing qualitatively better agreement with experiment than those that employ Miller-Abrahams rates. In a separate study, the heuristic treatment of spatial or geometric disorder incorporated in existing theories is critiqued, and a randomly-diluted lattice gas model is developed to describe the spatial disorder of the transport sites in a more realistic way.

  12. N-doped carbon networks: alternative materials tracing new routes for activating molecular hydrogen.

    Science.gov (United States)

    Cortese, Remedios; Ferrante, Francesco; Roggan, Stefan; Duca, Dario

    2015-02-23

    The fragmentation of molecular hydrogen on N-doped carbon networks was investigated by using molecular (polyaromatic macrocycles) as well as truncated and periodic (carbon nanotubes) models. The computational study was focused on the ergonicity analysis of the reaction and on the properties of the transition states involved when constellations of three or four pyridinic nitrogen atom defects are present in the carbon network. Calculations show that whenever N-defects are embedded in species characterized by large conjugated π-systems, either in polyaromatic macrocycles or carbon nanotubes, the corresponding H2 bond cleavage is largely exergonic. The fragmentation Gibbs free energy is affected by the final arrangement of the hydrogen atoms on the defect and by the extension of the π-electron cloud, but it is not influenced by the curvature of the system.

  13. Molecular Design of Doped Polymers for Thermoelectric Systems-Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Chabinyc, Michael L. [University of California, Santa Barbara; Hawker, Craig J. [University of California, Santa Barbara

    2013-10-09

    The self-assembly of organic semiconducting molecules and polymers is critical for their electrical properties. This project addressed the design of organic semiconductors with novel synthetic building blocks for proton-dopable conducting materials and the molecular order and microstructure of high performance semiconducting polymers blended with charge transfer dopants. Novel azulene donor-acceptor materials were designed and synthesized with unique electronic effects upon protonation to generate charged species in solution. The microstructure and optical properties of these derivatives were examined to develop structure-property relationships. Studies of the microstructure of blends of charge transfer doped semiconducting polymers revealed highly ordered conductive phases in blends. The molecular packing of one blend was studied in detail using a combination of solid-state NMR and x-ray scattering revealing that dopant incorporation is unlikely to be random as assumed in transport models. Studies of the electrical properties of these highly ordered blends revealed a universal trend between the thermopower and electrical conductivity of semiconducting polymers that is independent of the doping mechanism.

  14. Minority carrier lifetime in iodine-doped molecular beam epitaxy-grown HgCdTe

    Energy Technology Data Exchange (ETDEWEB)

    Madni, I.; Umana-Membreno, G. A.; Lei, W.; Gu, R.; Antoszewski, J.; Faraone, L. [School of Electrical, Electronic and Computer Engineering, The University of Western Australia, Crawley, Western Australia 6009 (Australia)

    2015-11-02

    The minority carrier lifetime in molecular beam epitaxy grown layers of iodine-doped Hg{sub 1−x}Cd{sub x}Te (x ∼ 0.3) on CdZnTe substrates has been studied. The samples demonstrated extrinsic donor behavior for carrier concentrations in the range from 2 × 10{sup 16} cm{sup −3} to 6 × 10{sup 17} cm{sup −3} without any post-growth annealing. At a temperature of 77 K, the electron mobility was found to vary from 10{sup 4} cm{sup 2}/V s to 7 × 10{sup 3} cm{sup 2}/V s and minority carrier lifetime from 1.6 μs to 790 ns, respectively, as the carrier concentration was increased from 2 × 10{sup 16} cm{sup −3} to 6 × 10{sup 17} cm{sup −3}. The diffusion of iodine is much lower than that of indium and hence a better alternative in heterostructures such as nBn devices. The influence of carrier concentration and temperature on the minority carrier lifetime was studied in order to characterize the carrier recombination mechanisms. Measured lifetimes were also analyzed and compared with the theoretical models of the various recombination processes occurring in these materials, indicating that Auger-1 recombination was predominant at higher doping levels. An increase in deep-level generation-recombination centers was observed with increasing doping level, which suggests that the increase in deep-level trap density is associated with the incorporation of higher concentrations of iodine into the HgCdTe.

  15. Terahertz Conductivity and Hindered Molecular Reorientation of Lithium Salt Doped Succinonitrile in its Plastic Crystal Phase

    Science.gov (United States)

    Nickel, Daniel V.; Bian, Hongtao; Zheng, Junrong; Mittleman, Daniel M.

    2014-09-01

    The terahertz complex permittivity of the molecular plastic crystal succinonitrile (SN) or 1,2 dicyanoethane (N≡C-CH2-CH2-C≡N), doped with the lithium salts LiBF4, LiPF6, LiTFSI, and LiClO4 to form solid-state plastic crystal electrolytes, is measured and compared using temperature-dependent terahertz time-domain spectroscopy (THz-TDS). In contrast to the trends at low frequency, SN's terahertz conductivity decreases slightly when doped with Li-salts. This indicates that at high frequencies the dielectric response is not dominated by ionic charge transport, but instead by relaxational processes which are hindered by the presence of the ionic dopants. Assuming a single Cole-Cole distribution of Debye-like processes dominates the measured spectra, the average relaxation times τ and Arrhenius activation energies E a are extracted for each electrolyte and are shown to increase significantly relative to undoped SN's τ and E a, indicating the relaxational processes are hindered by the presence of the ionic dopants.

  16. Molecular switching analyzed with sub-molecular precision: CuPc on Cu(111)

    Energy Technology Data Exchange (ETDEWEB)

    Schaffert, Johannes; Cottin, Maren; Sonntag, Andreas; Karacuban, Hatice; Bobisch, Christian; Moeller, Rolf [Faculty of Physics, Center for Nanointegration Duisburg-Essen, University of Duisburg-Essen, 47048 Duisburg (Germany); Lorente, Nicolas [Centro de Investigacion en Nanociencia y Nanotecnologia, Campus de la Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain)

    2011-07-01

    The current fluctuations in Scanning Tunneling Microscopy and Spectroscopy have been analyzed in real time using special analogue electronics. This type of Scanning Action Microscopy technique allows to map topography and switching processes simultaneously. For the Cu-Phthalocyanine (CuPc) molecule on Cu(111), switching between two states is observed. The switching frequency, the switching amplitude and the ratio between the residence times in the observed states can be studied with Angstrom spacial resolution. Spectroscopic data obtained at 7 K yields information about the involved electronic states. Based on the experimental data as well as DFT calculations a model is presented. The CuPc molecule switches between different adsorption configurations, which are attributed to different angles of molecular rotation on the Cu(111) surface.

  17. Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

    KAUST Repository

    Mansour, Ahmed

    2017-01-03

    Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

  18. Effect of ion structure on conductivity in lithium-doped ionic liquid electrolytes: A molecular dynamics study

    Science.gov (United States)

    Liu, Hongjun; Maginn, Edward

    2013-09-01

    Molecular dynamics simulations were performed to examine the role cation and anion structure have on the performance of ionic liquid (IL) electrolytes for lithium conduction over the temperature range of 320-450 K. Two model ionic liquids were studied: 1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([bmim][Tf2N]) and 1-butyl-4-methylpyridinium pyrrolide ([bmpyr][pyl]) doped with Li[Tf2N] and Li[pyl], respectively. The results have demonstrated that the Li+ doped IL containing the planar [bmpyr] cation paired with the planar [pyl] anion significantly outperformed the [bmim][Tf2N] IL. The different coordination of Li+ with the [Tf2N]- or [pyl]- anions produces a remarkable change in IL structure with a concomitant effect on the transport of all ions. For the doped [bmim][Tf2N], each Li+ is coordinated by four oxygen atoms from [Tf2N]- anions. Formation of a rigid structure between Li+ and [Tf2N]- induces a decrease in the mobility of all ions. In contrast, for the doped [bmpyr][pyl], each Li+ is coordinated by two nitrogen atoms from [pyl]- anions. The original alternating structure cation|anion|cation in the neat [bmpyr][pyl] is replaced by another alternating structure cation|anion|Li+|anion|cation in the doped [bmpyr][pyl]. Increases of Li+ mole fraction in doped [bmpyr][pyl] affects the dynamics to a much lesser extent compared with [bmim][Tf2N] and leads to reduced diffusivities of cations and anions, but little change in the dynamics of Li+. More importantly, the calculations predict that the Li+ ion conductivity of doped [bmpyr][pyl] is comparable to that observed in organic liquid electrolytes and is about an order of magnitude higher than that of doped [bmim][Tf2N]. Such Li+ conductivity improvement suggests that this and related ILs may be promising candidates for use as electrolytes in lithium ion batteries and capacitors.

  19. Peculiarly strong room-temperature ferromagnetism from low Mn-doping in ZnO grown by molecular beam epitaxy

    Directory of Open Access Journals (Sweden)

    Zheng Zuo

    2013-03-01

    Full Text Available Strong room-temperature ferromagnetism is demonstrated in single crystalline Mn-doped ZnO thin films grown by molecular beam epitaxy. Very low Mn doping concentration is investigated, and the measured magnetic moment is much larger than what is expected for an isolated ion based on Hund's rules. The ferromagnetic behavior evolves with Mn concentration. Both magnetic anisotropy and anomalous Hall effect confirm the intrinsic nature of ferromagnetism. While the Mn dopant plays a crucial role, another entity in the system is needed to explain the observed large magnetic moments.

  20. Molecular bridges

    NARCIS (Netherlands)

    Berkelaar, R.P.; Söde, H.; Mocking, T.F.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

    2011-01-01

    The adsorption of Cu-phthalocyanine (CuPc) molecules on Au-modified Ge(001) surfaces has been studied with low-temperature scanning tunneling microscopy. The Au-modified Ge(001) surface consists of well-ordered arrays of perfectly straight nanowires, which are separated by 1.6 nm wide and about 0.6

  1. Effect of the orientation of doped nanoparticles on thermal transportation of a solid: A molecular dynamics study

    Science.gov (United States)

    Shahadat, Muhammad Rubayat Bin; Masnoon, Ahmed Shafkat; Ahmed, Shafkat; Morshed, A. K. M. M.

    2017-06-01

    Interstitial phenomena like different types of atoms, doping and their orientation in nano scale influence the heat transfer and these effects become very significant with the reduction of material size. Non equilibrium Molecular Dynamics (NEMD) simulation was employed in this study to understand the effects of interfacial thermal resistance named kapitza resistance on solid. Argon like solid was considered in this study and LJ potential model was employed for the calculation of atomic interaction. Doping of nanoparticles at different orientation was inserted into the solid. From the simulation, it was observed that a large interfacial mismatch due to change in orientation in homogenous solid causes distortion of phonon frequency causing an increase in thermal resistance. The position of doped particles has a profound effect on thermal conductivity of solid. Interfacial atoms positioned perpendicular to heat flow direction causes sharp reduction in thermal conductivity. Phonon scattering at the material interface has been observed.

  2. Molecular Dynamics Study of Effects of Si-Doping Upon Structure and Mechanical Properties of Carbon Nanotube

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In this paper, a Si-doped single-walled carbon nanotube (SWCNT) (7,7) and several perfect armchair SWCNTs are investigated using the classical molecular dynamics simulations method. The inter-atomic short-range interaction is represented by empirical Tersoff bond order potential. The computational results show that the axial Young's modulus of the perfect SWCNTs are in the range of 1.099 ± 0.005 TPa, which is in good agreement with the existing experimental results. From our simulation, the Si-doping decreases the Young's modulus of SWCNT, and with the increased strain levels, the effect of Si-doped layer in enhancing the local stress level increases. The Young's modulus of armchair SWCNTs are weakly affected by tube radius.

  3. Major Ampullate Spider Silk with Indistinguishable Spidroin Dope Conformations Leads to Different Fiber Molecular Structures.

    Science.gov (United States)

    Dionne, Justine; Lefèvre, Thierry; Auger, Michèle

    2016-08-18

    To plentifully benefit from its properties (mechanical, optical, biological) and its potential to manufacture green materials, the structure of spider silk has to be known accurately. To this aim, the major ampullate (MA) silk of Araneus diadematus (AD) and Nephila clavipes (NC) has been compared quantitatively in the liquid and fiber states using Raman spectromicroscopy. The data show that the spidroin conformations of the two dopes are indistinguishable despite their specific amino acid composition. This result suggests that GlyGlyX and GlyProGlyXX amino acid motifs (X = Leu, Glu, Tyr, Ser, etc.) are conformationally equivalent due to the chain flexibility in the aqueous environment. Species-related sequence specificity is expressed more extensively in the fiber: the β-sheet content is lower and width of the orientation distribution of the carbonyl groups is broader for AD (29% and 58°, respectively) as compared to NC (37% and 51°, respectively). β-Sheet content values are close to the proportion of polyalanine segments, suggesting that β-sheet formation is mainly dictated by the spidroin sequence. The extent of molecular alignment seems to be related to the presence of proline (Pro) that may decrease conformational flexibility and inhibit chain extension and alignment upon drawing. It appears that besides the presence of Pro, secondary structure and molecular orientation contribute to the different mechanical properties of MA threads.

  4. Major Ampullate Spider Silk with Indistinguishable Spidroin Dope Conformations Leads to Different Fiber Molecular Structures

    Directory of Open Access Journals (Sweden)

    Justine Dionne

    2016-08-01

    Full Text Available To plentifully benefit from its properties (mechanical, optical, biological and its potential to manufacture green materials, the structure of spider silk has to be known accurately. To this aim, the major ampullate (MA silk of Araneus diadematus (AD and Nephila clavipes (NC has been compared quantitatively in the liquid and fiber states using Raman spectromicroscopy. The data show that the spidroin conformations of the two dopes are indistinguishable despite their specific amino acid composition. This result suggests that GlyGlyX and GlyProGlyXX amino acid motifs (X = Leu, Glu, Tyr, Ser, etc. are conformationally equivalent due to the chain flexibility in the aqueous environment. Species-related sequence specificity is expressed more extensively in the fiber: the β-sheet content is lower and width of the orientation distribution of the carbonyl groups is broader for AD (29% and 58°, respectively as compared to NC (37% and 51°, respectively. β-Sheet content values are close to the proportion of polyalanine segments, suggesting that β-sheet formation is mainly dictated by the spidroin sequence. The extent of molecular alignment seems to be related to the presence of proline (Pro that may decrease conformational flexibility and inhibit chain extension and alignment upon drawing. It appears that besides the presence of Pro, secondary structure and molecular orientation contribute to the different mechanical properties of MA threads.

  5. Major Ampullate Spider Silk with Indistinguishable Spidroin Dope Conformations Leads to Different Fiber Molecular Structures

    Science.gov (United States)

    Dionne, Justine; Lefèvre, Thierry; Auger, Michèle

    2016-01-01

    To plentifully benefit from its properties (mechanical, optical, biological) and its potential to manufacture green materials, the structure of spider silk has to be known accurately. To this aim, the major ampullate (MA) silk of Araneus diadematus (AD) and Nephila clavipes (NC) has been compared quantitatively in the liquid and fiber states using Raman spectromicroscopy. The data show that the spidroin conformations of the two dopes are indistinguishable despite their specific amino acid composition. This result suggests that GlyGlyX and GlyProGlyXX amino acid motifs (X = Leu, Glu, Tyr, Ser, etc.) are conformationally equivalent due to the chain flexibility in the aqueous environment. Species-related sequence specificity is expressed more extensively in the fiber: the β-sheet content is lower and width of the orientation distribution of the carbonyl groups is broader for AD (29% and 58°, respectively) as compared to NC (37% and 51°, respectively). β-Sheet content values are close to the proportion of polyalanine segments, suggesting that β-sheet formation is mainly dictated by the spidroin sequence. The extent of molecular alignment seems to be related to the presence of proline (Pro) that may decrease conformational flexibility and inhibit chain extension and alignment upon drawing. It appears that besides the presence of Pro, secondary structure and molecular orientation contribute to the different mechanical properties of MA threads. PMID:27548146

  6. Distribution of carriers in gradient-doping transmission-mode GaAs photocathodes grown by molecular beam epitaxy

    Institute of Scientific and Technical Information of China (English)

    Zhang Yi-Jun; Chang Ben-Kang; Yang Zhi; Niu Jun; Zou Ji-Jun

    2009-01-01

    The gradient-doping structure is first applied to prepare the transmission-mode OaAs photocathode and the integral sensitivity of the sealed image tube achieves 1420μA/lm. This paper studies the inner carrier concentration distribution of the gradient-doping transmission-mode GaAs photocathode after molecular beam epitaxy (MBE) growth using the electrochemical capacitance-voltage profiling. The results show that an ideal gradient-doping structure can be obtained by using MBE growth. The total band-bending energy in the gradient-doping GaAs active-layer with doping concentration ranging from 1×10~(19) cm~(-3) to 1×10~(18) cm~(-3) is calculated to be 46.3 meV, which helps to improve the photoexcited electrons movement toward surface for the thin epilayer. In addition, by analysis of the band offsets, it is found that the worse carrier concentration discrepancy between GaAs and GaAlAs causes a lower back interface electron potential barrier which decreases the amount of high-energy photoelectrons and affects the short-wave response.

  7. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation.

    Science.gov (United States)

    Opitz, Andreas

    2017-02-14

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  8. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation

    Science.gov (United States)

    Opitz, Andreas

    2017-04-01

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  9. High electron mobility of modulation doped GaAs after growing InP by solid source molecular beam epitaxy

    Institute of Scientific and Technical Information of China (English)

    SHU Yong-chun; PI Biao; LIN Yao-wang; XING Xiao-dong; YAO Jiang-hong; WANG Zhan-guo; XU Jing-jun

    2005-01-01

    Modulation-doped AlGaAs/GaAs structures were grown on GaAs(100) substrate by solid source molecular beam epitaxy (SSMBE) system. The factors which influence the electron mobility were investigated. After growing InP based materials, growth conditions were deteriorated, but by an appropriate method and using reasonaand growth conditions have been studied and optimized via Hall measurements. For a typical sample, 2.0 K electron served.

  10. High performance carbon molecular sieving membranes derived from pyrolysis of metal-organic framework ZIF-108 doped polyimide matrices.

    Science.gov (United States)

    Jiao, Wenmei; Ban, Yujie; Shi, Zixing; Jiang, Xuesong; Li, Yanshuo; Yang, Weishen

    2016-12-11

    Carbon molecular sieve membranes (CMSMs) were fabricated by pyrolysis of MOF-doped polyimide mixed matrix membranes. ZIF-108 (Zn(2-nitroimidazolate)2) was used as a dopant to tailor the micropores of the as-prepared CMSMs into narrow ultramicropores, providing a remarkable combination of permeability and selectivity of membranes in CO2/CH4, O2/N2 and N2/CH4 separation.

  11. Charge carrier transport in molecularly doped polycarbonate as a test case for the dipolar glass model.

    Science.gov (United States)

    Novikov, S V; Tyutnev, A P

    2013-03-14

    We present the results of Monte Carlo simulations of the charge carrier transport in a disordered molecular system containing spatial and energetic disorders using the dipolar glass model. Model parameters of the material were chosen to fit a typical polar organic photoconductor polycarbonate doped with 30% of aromatic hydrazone, whose transport properties are well documented in literature. Simulated carrier mobility demonstrates a usual Poole-Frenkel field dependence and its slope is very close to the experimental value without using any adjustable parameter. At room temperature transients are universal with respect to the electric field and transport layer thickness. At the same time, carrier mobility does not depend on the layer thickness and transients develop a well-defined plateau where the current does not depend on time, thus demonstrating a non-dispersive transport regime. Tails of the transients decay as power law with the exponent close to -2. This particular feature indicates that transients are close to the boundary between dispersive and non-dispersive transport regimes. Shapes of the simulated transients are in very good agreement with the experimental ones. In summary, we provide a first verification of a self-consistency of the dipolar glass transport model, where major transport parameters, extracted from the experimental transport data, are then used in the transport simulation, and the resulting mobility field dependence and transients are in very good agreement with the initial experimental data.

  12. Behaviors of beryllium compensation doping in InGaAsP grown by gas source molecular beam epitaxy

    Science.gov (United States)

    Ma, Y. J.; Zhang, Y. G.; Gu, Y.; Xi, S. P.; Chen, X. Y.; Liang, Baolai; Juang, Bor-Chau; Huffaker, Diana L.; Du, B.; Shao, X. M.; Fang, J. X.

    2017-07-01

    We report structural properties as well as electrical and optical behaviors of beryllium (Be)-doped InGaAsP lattice-matched to InP grown by gas source molecular beam epitaxy. P type layers present a high degree of compensation on the order of 1018 cm-3, and for Be densities below 9.5×1017 cm-3, they are found to be n type. Enhanced incorporation of oxygen during Be doping is observed by secondary ion mass spectroscopy. Be in forms of interstitial donors or donor-like Be-O complexes for cell temperatures below 800°C is proposed to account for such anomalous compensation behaviors. A constant photoluminescence energy of 0.98 eV without any Moss-Burstein shift for Be doping levels up to 1018 cm-3 along with increased emission intensity due to passivation effect of Be is also observed. An increasing number of minority carriers tend to relax via Be defect state-related Shockley-Read-Hall recombination with the increase of Be doping density.

  13. Behaviors of beryllium compensation doping in InGaAsP grown by gas source molecular beam epitaxy

    Directory of Open Access Journals (Sweden)

    Y. J. Ma

    2017-07-01

    Full Text Available We report structural properties as well as electrical and optical behaviors of beryllium (Be-doped InGaAsP lattice-matched to InP grown by gas source molecular beam epitaxy. P type layers present a high degree of compensation on the order of 1018 cm−3, and for Be densities below 9.5×1017 cm−3, they are found to be n type. Enhanced incorporation of oxygen during Be doping is observed by secondary ion mass spectroscopy. Be in forms of interstitial donors or donor-like Be-O complexes for cell temperatures below 800°C is proposed to account for such anomalous compensation behaviors. A constant photoluminescence energy of 0.98 eV without any Moss-Burstein shift for Be doping levels up to 1018 cm−3 along with increased emission intensity due to passivation effect of Be is also observed. An increasing number of minority carriers tend to relax via Be defect state-related Shockley-Read-Hall recombination with the increase of Be doping density.

  14. Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials

    Science.gov (United States)

    Kolmann, Stephen J.; Chan, Bun; Jordan, Meredith J. T.

    2008-12-01

    Density functional theory (DFT) and ab initio methods are used to investigate the interaction of one, two and three hydrogen molecules with Li +-doped benzene, a model for lithium-doped carbon-based and metal organic framework materials. M05-2X is found to be the best DFT method considered, reproducing MP2 and CCSD(T) H 2 binding energies to Li +-doped benzene. The M05-2X results also agree with H 2 binding energies previously obtained in an extended model of Li atom-doped MOF-5. These calculations suggest H 2 binding in Li-doped materials is, primarily, a local interaction, implying that model compounds can be used to describe these systems.

  15. Organic solution-processible electroluminescent molecular glasses for non-doped standard red OLEDs with electrically stable chromaticity

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Xiaoman; Zuo, Weiwei; Liu, Yingliang, E-mail: liuylxn@sohu.com; Zhang, Zhenru; Zeng, Cen; Xu, Shengang; Cao, Shaokui, E-mail: caoshaokui@zzu.edu.cn

    2015-10-15

    Highlights: • The D–A–D electroluminescent molecular glasses are synthesized. • Non-doped red electroluminescent film is fabricated by spin-coating. • Red OLED shows stable wavelength, luminous efficiency and chromaticity. • CIE1931 coordinate is in accord with standard red light in PAL system. - Abstract: Organic light-emitting molecular glasses (OEMGs) are synthesized through the introduction of nonplanar donor and branched aliphatic chain into electroluminescent emitters. The target OEMGs are characterized by {sup 1}H NMR, {sup 13}C NMR, IR, UV–vis and fluorescent spectra as well as elemental analysis, TG and DSC. The results indicated that the optical, electrochemical and electroluminescent properties of OEMGs are adjusted successfully by the replacement of electron-donating group. The non-doped OLED device with a standard red electroluminescent emission is achieved by spin-coating the THF solution of OEMG with a triphenylamine moiety. This non-doped red OLED device takes on an electrically stable electroluminescent performance, including the stable maximum electroluminescent wavelength of 640 nm, the stable luminous efficiency of 2.4 cd/A and the stable CIE1931 coordinate of (x, y) = (0.64, 0.35), which is basically in accord with the CIE1931 coordinate (x, y) = (0.64, 0.33) of standard red light in PAL system.

  16. Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties.

    Science.gov (United States)

    Shi, Wen; Zhao, Tianqi; Xi, Jinyang; Wang, Dong; Shuai, Zhigang

    2015-10-14

    Tuning carrier concentration via chemical doping is the most successful strategy to optimize the thermoelectric figure of merit. Nevertheless, how the dopants affect charge transport is not completely understood. Here we unravel the doping effects by explicitly including the scattering of charge carriers with dopants on thermoelectric properties of poly(3,4-ethylenedioxythiophene), PEDOT, which is a p-type thermoelectric material with the highest figure of merit reported. We corroborate that the PEDOT exhibits a distinct transition from the aromatic to quinoid-like structure of backbone, and a semiconductor-to-metal transition with an increase in the level of doping. We identify a close-to-unity charge transfer from PEDOT to the dopant, and find that the ionized impurity scattering dominates over the acoustic phonon scattering in the doped PEDOT. By incorporating both scattering mechanisms, the doped PEDOT exhibits mobility, Seebeck coefficient and power factors in very good agreement with the experimental data, and the lightly doped PEDOT exhibits thermoelectric properties superior to the heavily doped one. We reveal that the thermoelectric transport is highly anisotropic in ordered crystals, and suggest to utilize large power factors in the direction of polymer backbone and low lattice thermal conductivity in the stacking and lamellar directions, which is viable in chain-oriented amorphous nanofibers.

  17. Realization of Cu-Doped p-Type ZnO Thin Films by Molecular Beam Epitaxy.

    Science.gov (United States)

    Suja, Mohammad; Bashar, Sunayna B; Morshed, Muhammad M; Liu, Jianlin

    2015-04-29

    Cu-doped p-type ZnO films are grown on c-sapphire substrates by plasma-assisted molecular beam epitaxy. Photoluminescence (PL) experiments reveal a shallow acceptor state at 0.15 eV above the valence band edge. Hall effect results indicate that a growth condition window is found for the formation of p-type ZnO thin films, and the best conductivity is achieved with a high hole concentration of 1.54 × 10(18) cm(-3), a low resistivity of 0.6 Ω cm, and a moderate mobility of 6.65 cm(2) V(-1) s(-1) at room temperature. Metal oxide semiconductor capacitor devices have been fabricated on the Cu-doped ZnO films, and the characteristics of capacitance-voltage measurements demonstrate that the Cu-doped ZnO thin films under proper growth conditions are p-type. Seebeck measurements on these Cu-doped ZnO samples lead to positive Seebeck coefficients and further confirm the p-type conductivity. Other measurements such as X-ray diffraction, X-ray photoelectron, Raman, and absorption spectroscopies are also performed to elucidate the structural and optical characteristics of the Cu-doped p-type ZnO films. The p-type conductivity is explained to originate from Cu substitution of Zn with a valency of +1 state. However, all p-type samples are converted to n-type over time, which is mostly due to the carrier compensation from extrinsic defects of ZnO.

  18. Ge doping of β-Ga2O3 films grown by plasma-assisted molecular beam epitaxy

    Science.gov (United States)

    Ahmadi, Elaheh; Koksaldi, Onur S.; Kaun, Stephen W.; Oshima, Yuichi; Short, Dane B.; Mishra, Umesh K.; Speck, James S.

    2017-04-01

    The Ge doping of β-Ga2O3(010) films was investigated using plasma-assisted molecular beam epitaxy as the growth method. The dependences of the amount of Ge incorporated on the substrate temperature, Ge-cell temperature, and growth regime were studied by secondary ion mass spectrometry. The electron concentration and mobility were investigated using Van der Pauw Hall patterns. Hall measurement confirmed that Ge acts as an n-dopant in β-Ga2O3(010) films. These results were compared with similar films doped by Sn. The Hall data showed an improved electron mobility for the same electron concentration when Ge is used instead of Sn as the dopant.

  19. Elemental boron-doped p(+)-SiGe layers grown by molecular beam epitaxy for infrared detector applications

    Science.gov (United States)

    Lin, T. L.; George, T.; Jones, E. W.; Ksendzov, A.; Huberman, M. L.

    1992-01-01

    SiGe/Si heterojunction internal photoemission (HIP) detectors have been fabricated utilizing molecular beam epitaxy of p(+)-SiGe layers on p(-)-Si substrates. Elemental boron from a high-temperature effusion cell was used as the dopant source during MBE growth, and high doping concentrations have been achieved. Strong infrared absorption, mainly by free-carrier absorption, was observed for the degenerately doped SiGe layers. The use of elemental boron as the dopant source allows a low MBE growth temperature, resulting in improved crystalline quality and smooth surface morphology of the Si(0.7)Ge(0.3) layers. Nearly ideal thermionic emission dark current characteristics have been obtained. Photoresponse of the HIP detectors in the long-wavelength infrared regime has been demonstrated.

  20. Epitaxial Properties of Co-Doped ZnO Thin Films Grown by Plasma Assisted Molecular Beam Epitaxy

    Institute of Scientific and Technical Information of China (English)

    CAO Qiang; DENG Jiang-Xia; LIU Guo-Lei; CHEN Yan-Xue; YAN Shi-Shen

    2007-01-01

    High quality Co-doped ZnO thin films are grown on single crystalline Al2O3(0001) and ZnO(0001) substrates by oxygen plasma assisted molecular beam epitaxy at a relatively lower substrate temperature of 450 ℃. The epitaxial conditions are examined with in-situ reflection high energy electron diffraction (RHEED) and ex-situ high resolution x-ray diffraction (HRXRD). The epitaxial thin films are single crystal at film thickness smaller than 500nm and nominal concentration of Co dopant up to 20%. It is indicated that the Co cation is incorporated into the ZnO matrix as Co2+ substituting Zn2+ ions. Atomic force microscopy shows smooth surfaces with rms roughness of 1.9nm. Room-temperature magnetization measurements reveal that the Co-doped ZnO thin films are ferromagnetic with Curie temperatures TC above room temperature.

  1. Molecular doping effect in bottom-gate, bottom-contact pentacene thin-film transistors

    OpenAIRE

    Wakatsuki, Yusuke; Noda, Kei; Wada, Yasuo; Toyabe, Toru; Matsushige, Kazumi

    2011-01-01

    A bottom-gate, bottom-contact (BGBC) organic thin-film transistor (OTFT) with carrier-doped regions over source-drain electrodes was investigated. Device simulation with our originally developed device simulator demonstrates that heavily doped layers (p+ layers) on top of the source-drain contact region can compensate the deficiency of charge carriers at the source-channel interface during transistor operation, leading to the increase of the drain current and the apparent field-effect mobilit...

  2. Doping Effect of Graphene Nanoplatelets on Electrical Insulation Properties of Polyethylene: From Macroscopic to Molecular Scale

    Directory of Open Access Journals (Sweden)

    Ziang Jing

    2016-08-01

    Full Text Available The doping effect of graphene nanoplatelets (GNPs on electrical insulation properties of polyethylene (PE was studied by combining experimental and theoretical methods. The electric conduction properties and trap characteristics were tested for pure PE and PE/GNPs composites by using a direct measurement method and a thermal stimulated current (TSC method. It was found that doping smaller GNPs is more beneficial to decrease the conductivity of PE/GNPs. The PE/GNPs composite with smaller size GNPs mainly introduces deep energy traps, while with increasing GNPs size, besides deep energy traps, shallow energy traps are also introduced. These results were also confirmed by density functional theory (DFT and the non-equilibrium Green’s function (NEGF method calculations. Therefore, doping small size GNPs is favorable for trapping charge carriers and enhancing insulation ability, which is suggested as an effective strategy in exploring powerful insulation materials.

  3. Detecting CO, NO and NO2 gases by Boron-doped graphene nanoribbon molecular devices

    Science.gov (United States)

    Xie, Zhen; Zuo, Xi; Zhang, Guang-Ping; Li, Zong-Liang; Wang, Chuan-Kui

    2016-07-01

    Combining nonequilibrium Green's function method and density functional theory, an azulene-like dipole molecule sandwiched between two graphene nanoribbon (GNR) electrodes are explored to gas sensors. Both the pristine zigzag edged GNR and Boron-doped armchair-edged GNR are considered in this study. It shows that certain specific toxic molecules CO, NO and NO2 would adsorb on the doped Boron atoms of the GNR, resulting in a dramatic change in the current-voltage profile. Changes in the subbands of electrodes, induced by gas adsorption, are responsible for the variation of current. The devices are thus demonstrated to be sensitive nanosensors for these toxic gases.

  4. Characterization of Metal-Doped Methylated Microporous Silica for Molecular Separations

    DEFF Research Database (Denmark)

    El-Feky, Hany Hassan; Briceno, Kelly; Szalata, Kamila

    2015-01-01

    Novel silica xerogels are prepared and developed by sol-gel method in the present study. The preparation involves cobalt-doping within the organic templated silica matrices, where methyltriethoxysilane (MTES), which contains methyl groups as a covalently bonded organic template is used. The synth...

  5. Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing

    Science.gov (United States)

    Lv, Ruitao; Li, Qing; Botello-Méndez, Andrés R.; Hayashi, Takuya; Wang, Bei; Berkdemir, Ayse; Hao, Qingzhen; Elías, Ana Laura; Cruz-Silva, Rodolfo; Gutiérrez, Humberto R.; Kim, Yoong Ahm; Muramatsu, Hiroyuki; Zhu, Jun; Endo, Morinobu; Terrones, Humberto; Charlier, Jean-Christophe; Pan, Minghu; Terrones, Mauricio

    2012-01-01

    Graphene is a two-dimensional network in which sp2-hybridized carbon atoms are arranged in two different triangular sub-lattices (A and B). By incorporating nitrogen atoms into graphene, its physico-chemical properties could be significantly altered depending on the doping configuration within the sub-lattices. Here, we describe the synthesis of large-area, highly-crystalline monolayer N-doped graphene (NG) sheets via atmospheric-pressure chemical vapor deposition, yielding a unique N-doping site composed of two quasi-adjacent substitutional nitrogen atoms within the same graphene sub-lattice (N2AA). Scanning tunneling microscopy and spectroscopy (STM and STS) of NG revealed the presence of localized states in the conduction band induced by N2AA-doping, which was confirmed by ab initio calculations. Furthermore, we demonstrated for the first time that NG could be used to efficiently probe organic molecules via a highly improved graphene enhanced Raman scattering. PMID:22905317

  6. Characterization of Metal-Doped Methylated Microporous Silica for Molecular Separations

    DEFF Research Database (Denmark)

    El-Feky, Hany Hassan; Briceno, Kelly; Szalata, Kamila

    2015-01-01

    Novel silica xerogels are prepared and developed by sol-gel method in the present study. The preparation involves cobalt-doping within the organic templated silica matrices, where methyltriethoxysilane (MTES), which contains methyl groups as a covalently bonded organic template is used. The synth...

  7. Ag/N-doped reduced graphene oxide incorporated with molecularly imprinted polymer: An advanced electrochemical sensing platform for salbutamol determination.

    Science.gov (United States)

    Li, Junhua; Xu, Zhifeng; Liu, Mengqin; Deng, Peihong; Tang, Siping; Jiang, Jianbo; Feng, Haibo; Qian, Dong; He, Lingzhi

    2017-04-15

    In this work, the metallic silver and non-metallic nitrogen co-doped reduced graphene oxide (Ag-N-RGO) was first synthesized by a simple and cost-effective strategy, and then a molecularly imprinted polymer (MIP) was formed in situ at the surface of the prepared composite via electropolymerization of o-phenylenediamine in the presence of salbutamol as the template molecule. The electrochemical characterizations demonstrate that the bifunctional graphene-based composite shows improved catalytic performance than that of pristine graphene doped with one-component or none. The MIP sensor based on Ag-N-RGO owns high porous surface structure, resulting in the increased current response and enhanced recognition capacity than that of non-imprinted sensor. The outstanding performance of the developed sensor derives from the combined advantages of Ag-N-RGO with effective catalytic property and MIP with excellent selectivity. Under the optimal conditions, the electrochemical response of the developed sensor is linearly proportional to the concentration of salbutamol in the range of 0.03-20.00µmolL(-1) with a low detection limit of 7 nmol L(-1). The designed sensor has exhibited the multiple advantages such as low cost, simple manufacture, convenient use, excellent selectivity and good reproducibility. Finally, the proposed method has been extended for the determinations of salbutamol in human urine and pork samples, and the satisfactory recoveries between 98.9-105.3% are achieved. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field.

    Science.gov (United States)

    Xiong, Hui; Mignolet, Benoit; Fang, Li; Osipov, Timur; Wolf, Thomas J A; Sistrunk, Emily; Gühr, Markus; Remacle, Francoise; Berrah, Nora

    2017-12-01

    The interaction of gas phase endohedral fullerene Ho3N@C80 with intense (0.1-5 × 10(14) W/cm(2)), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C80(q+), q = 1-2, was found to be different from that of C60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 × 10(14) W/cm(2).

  9. Theoretical design of a novel copper doped gold cluster supported on graphene utilizing ab initio molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Koizumi, Kenichi; Nobusada, Katsuyuki [Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan); Boero, Mauro [Institut de Physique et Chimie des Matériaux de Strasbourg UMR 7504, University of Strasbourg and CNRS, 23 rue du Loess, F-67034 Strasbourg (France)

    2015-12-31

    Ab initio molecular dynamics simulations have been used to inspect the adsorption of O{sub 2} to a small gold-copper alloy cluster supported on graphene. The exposed Cu atom in this cluster acts as a crucial attractive site for the approaching of O{sub 2} and consequently widens the reaction channel for the adsorption process. Conversely, a pure Au cluster on the same graphene support is inactive for the O{sub 2} adsorption because the corresponding reaction channel for the adsorption is very narrow. These results clearly indicate that doping a different metal to the Au cluster is a way to enhance the oxygen adsorption and to promote catalytic reactions.

  10. Dual origin of defect magnetism in graphene and its reversible switching by molecular doping.

    Science.gov (United States)

    Nair, R R; Tsai, I-L; Sepioni, M; Lehtinen, O; Keinonen, J; Krasheninnikov, A V; Castro Neto, A H; Katsnelson, M I; Geim, A K; Grigorieva, I V

    2013-01-01

    Control of magnetism by applied voltage is desirable for spintronics applications. Finding a suitable material remains an elusive goal, with only a few candidates found so far. Graphene is one of them and attracts interest because of its weak spin-orbit interaction, the ability to control electronic properties by the electric field effect and the possibility to introduce paramagnetic centres such as vacancies and adatoms. Here we show that the magnetism of adatoms in graphene is itinerant and can be controlled by doping, so that magnetic moments are switched on and off. The much-discussed vacancy magnetism is found to have a dual origin, with two approximately equal contributions; one from itinerant magnetism and the other from dangling bonds. Our work suggests that graphene's spin transport can be controlled by the field effect, similar to its electronic and optical properties, and that spin diffusion can be significantly enhanced above a certain carrier density.

  11. Studies of arsenic incorporation and P-type doping in epitaxial mercury cadmium telluride thin films grown by molecular beam epitaxy

    Science.gov (United States)

    Zandian, Majid

    Doped layer semiconductor structures provide possibilities for novel electronic devices. Growth of Hg1-xCdxTe by molecular beam epitaxy (MBE) allows precise control over the doping profile and position of heterojunctions as well as structural properties of this ternary alloy. Even though n-type doping using indium is well established, little is known about p-type doping in this material system by MBE. Several elements such as Ag, Au, Sb, Bi and P have been previously used, however high diffusion coefficient and amphoteric behavior of these atoms in HgCdTe has restricted their use in heterojunction devices where control over doping profiles and concentrations is needed. We investigated arsenic incorporation efficiency as a function of As 4 flux and growth temperature. The sticking coefficient of As is substantially higher at lower growth temperature compared to growth at 190°C. For samples grown at 170°C, the etch pit density (EPD) is higher compared to p-type As doped samples grown at 190°C. Higher EPD is associated with columnar twin defects observed in transmission electron microscopy (TEM) studies of low growth temperature samples. Growth at low temperature of 170°C causes Hg rich condition promoting twin formation. Therefore, growth of p-type layers doped with As at low temperatures require optimization of II/VI flux ratio to eliminate columnar twin defects. It is possible to incorporate As at normal MBE growth temperature of 190°C but very high flux of As has to used to overcome low sticking coefficient of As at these temperatures. We proposed a mechanism for the activation of As involving Hg vacancies (VHg··) where Te is moved to a Hg vacancy, leaving behind a Te vacancy, which is then filled by an As atom. The Te that is now on a Hg site (i.e., Te antisite) migrates to the surface and leaves the crystal.

  12. Structure,Electrical,and Optical Properties of Nb-doped BaTiO3 Thin Films Grown by Laser Molecular Beam Epitaxy

    Institute of Scientific and Technical Information of China (English)

    GUO Hai-Zhong; LIU Li-Feng; LU Hui-Bin; FEI Yi-Yan; XIANG Wen-Feng; ZHOU Yue-Liang; CHEN Zheng-Hao

    2004-01-01

    @@ Structure, electrical, and optical properties of Nb-doped BaTiO3 (Nb:BTO) thin films on MgO substrates grown by laser molecular beam epitaxy with increasing Nb content were investigated. The Nb:BTO thin films with high crystallinity are epitaxially grown on MgO substrates. With more Nb-doped content, the impurity phases are found in Nb:BTO thin films. Hall measurement at room temperature confirms that the charge carriers of the Nb:BTO thin films are n-type. When the Nb-doped content increases, the carrier concentration and carrier mobility increase. Meanwhile the optical transmittance decreases with the increase of the Nb-doping, and the width of the forbidden band in each group is not affected by the presence of Nb in the samples. Raman spectra show that the structural phase transition may occur with the increase of the Nb-doping content, in the meantime more defects and impurities exist in the Nb:BTO thin films.

  13. Photocatalytic evolution of molecular hydrogen and oxygen over La-doped NaTaO3 particles: Effect of different cocatalysts (Presentation Recording)

    Science.gov (United States)

    Ivanova, Irina; Kandiel, Tarek; Hakki, Amer; Dillert, Ralf; Bahnemann, Detlef W.

    2015-09-01

    To solve the global energy and environmental issues highly efficient systems for solar energy conversion and storage are needed. One of them involves the photocatalytic conversion of solar energy into the storable fuel molecular hydrogen via the water splitting process utilizing metal-oxide semiconductors as catalysts. Since photocatalytic water splitting is still a rather poorly understood reaction, fundamental research in this field is required. Herein, the photocatalytic activity for water splitting was investigated utilizing La-doped NaTaO3 as a model photocatalyst. The activity of La-doped NaTaO3 was assessed by the determination of the overall quantum yield of molecular hydrogen and molecular oxygen evolution. In pure water La-doped NaTaO3 exhibits rather poor activity for the photocatalytic H2 evolution whereby no O2 was detected. To enhance the photocatalytic activity the surface of La-doped NaTaO3 was modified with various cocatalysts including noble metals (Pt, Au and Rh) and metal oxides (NiO, CuO, CoO, AgO and RuO2). The photocatalytic activity was evaluated in pure water, in aqueous methanol solution, and in aqueous silver nitrate solution. The results reveal that cocatalysts such as RuO2 or CuO exhibiting the highest catalytic activity for H2 evolution from pure water, possess, however, the lowest activity for O2 evolution from aqueous silver nitrate solution. La-doped NaTaO3 modified with Pt shows the highest quantum yield of 33 % with respect to the H2 evolution in the presence of methanol. To clarify the role of methanol in such a photocatalytic system, long-term investigations and isotopic studies were performed. The underlying mechanisms of methanol oxidation were elucidated.

  14. Molecular dynamics study of the mechanical loss in amorphous pure and doped silica

    Energy Technology Data Exchange (ETDEWEB)

    Hamdan, Rashid; Trinastic, Jonathan P.; Cheng, H. P., E-mail: cheng@qtp.ufl.edu [Department of Physics and Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

    2014-08-07

    Gravitational wave detectors and other precision measurement devices are limited by the thermal noise in the oxide coatings on the mirrors of such devices. We have investigated the mechanical loss in amorphous oxides by calculating the internal friction using classical, atomistic molecular dynamics simulations. We have implemented the trajectory bisection method and the non-local ridge method in the DL-POLY molecular dynamics simulation software to carry out those calculations. These methods have been used to locate the local potential energy minima that a system visits during a molecular dynamics trajectory and the transition state between any two consecutive minima. Using the numerically calculated barrier height distributions, barrier asymmetry distributions, relaxation times, and deformation potentials, we have calculated the internal friction of pure amorphous silica and silica mixed with other oxides. The results for silica compare well with experiment. Finally, we use the numerical calculations to comment on the validity of previously used theoretical assumptions.

  15. Photoinduced Reorganization of Motor-Doped Chiral Liquid Crystals : Bridging Molecular Isomerization and Texture Rotation

    NARCIS (Netherlands)

    Bosco, Alessandro; Jongejan, Mahthild G. M.; Eelkema, Rienk; Katsonis, Nathalie; Lacaze, Ernmanuelle; Ferrarini, Alberta; Feringa, Ben L.; Lacaze, Emmanuelle

    2008-01-01

    We recently reported that the photoisomerization of molecular motors used as chiral dopants in a cholesteric liquid crystal film induces a rotational reorganization which can be observed by optical microscopy and produces the motion of microscopic objects placed on top of the film (Feringa, B. L.;

  16. Investigating molecular interactions and surface morphology of wax-doped asphaltenes.

    Science.gov (United States)

    Pahlavan, Farideh; Mousavi, Masoumeh; Hung, Albert; Fini, Ellie H

    2016-04-07

    The nature and origin of bee-like microstructures (bees) in asphalt binders and their impact on asphalt oxidation have been the subject of extensive discussions in recent years. While several studies refer to the bees as solely surface features, some others consider them to be bulk microcrystalline components that are formed due to co-precipitation of wax and asphaltene molecules. In this study, we use a rigorous theoretical and experimental approach to investigate the interplay of asphalt components (mainly asphaltene and wax) and their impact on bee formation. In the theoretical section, quantum-mechanical calculations using density functional theory (DFT) are used to evaluate the strength of interactions between asphaltene unit sheets in the presence and absence of a wax component, as well as the mutual interactions between asphaltene molecules (monomers and dimers) and paraffin wax. The results of this section reveal that paraffin waxes not only do not reinforce the interaction between the asphaltene unit sheets, they destabilize asphaltene assembly and dimerization. AIM (Atom in Molecules) analysis shows the destabilizing effect of wax on asphaltene assembly as a reduction in the number of cage and bond critical points between asphaltenes. This destabilization effect among interacting systems (asphaltene-asphaltene and wax-asphaltene) does not support the hypothesis that interaction between paraffin waxes and non-wax components, such as asphaltene, is responsible for their co-precipitation and bee formation. To further examine the effect of wax component on asphalt microstructure experimentally, we used atomic force microscopy (AFM) to study the surface morphology of an asphalt sample doped with 1% to 25% paraffin wax. In agreement with the conclusions drawn from the DFT approach, our experiments indicate that paraffin wax tends to crystallize separately and form lamellar paraffin wax crystal inclusions with 10 nm thickness. Moreover, the addition of 3% wax

  17. Molecular-beam epitaxial growth of tensile-strained and n-doped Ge/Si(001) films using a GaP decomposition source

    Energy Technology Data Exchange (ETDEWEB)

    Luong, T.K.P. [Aix-Marseille Université, CNRS CINaM-UMR 7325, F-13288 Marseille Cedex 09 (France); Ghrib, A. [Institut d' Electronique Fondamentale, CNRS UMR 8622, Université Paris-Sud, Bât. 220, F-91405 Orsay (France); Dau, M.T.; Zrir, M.A. [Aix-Marseille Université, CNRS CINaM-UMR 7325, F-13288 Marseille Cedex 09 (France); Stoffel, M. [Université de Lorraine, Institut Jean Lamour, UMR CNRS 7198, Nancy-Université, BP 70239, F-54506 Vandoeuvre-lès-Nancy Cedex (France); Le Thanh, V., E-mail: lethanh@cinam.univ.mrs.fr [Aix-Marseille Université, CNRS CINaM-UMR 7325, F-13288 Marseille Cedex 09 (France); Daineche, R. [Aix-Marseille Université, CNRS IM2NP-UMR 6242, F-13397 Marseille Cedex 20 (France); Le, T.G.; Heresanu, V.; Abbes, O.; Petit, M. [Aix-Marseille Université, CNRS CINaM-UMR 7325, F-13288 Marseille Cedex 09 (France); El Kurdi, M.; Boucaud, P. [Institut d' Electronique Fondamentale, CNRS UMR 8622, Université Paris-Sud, Bât. 220, F-91405 Orsay (France); Rinnert, H. [Université de Lorraine, Institut Jean Lamour, UMR CNRS 7198, Nancy-Université, BP 70239, F-54506 Vandoeuvre-lès-Nancy Cedex (France); Murota, J. [Res. Inst. Elec. Comm., Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2014-04-30

    We have combined numerous characterization techniques to investigate the growth of tensile-strained and n-doped Ge films on Si(001) substrates by means of solid-source molecular-beam epitaxy. The Ge growth was carried out using a two-step growth method: a low-temperature growth to produce strain relaxed and smooth buffer layers, followed by a high-temperature growth to get high crystalline quality Ge layers. It is shown that the Ge/Si Stranski–Krastanov growth mode can be completely suppressed when the growth is performed at substrate temperatures ranging between 260 °C and 300 °C. X-ray diffraction measurements indicate that the Ge films grown at temperatures of 700–770 °C are tensile-strained with typical values lying in the range of 0.22–0.24%. Cyclic annealing allows further increase in the tensile strain up to 0.30%, which represents the highest value ever reported in the Ge/Si system. n-Doping of Ge was carried out using a GaP decomposition source. It is shown that heavy n-doping levels are obtained at low substrate temperatures (210–250 °C). For a GaP source temperature of 725 °C and a substrate temperature of 210 °C, a phosphorus concentration of about 10{sup 19} cm{sup −3} can be obtained. Photoluminescence measurements reveal an intensity enhancement of about 16 times of the direct band gap emission and display a redshift of 25 meV that can be attributed to band gap narrowing due to a high n-doping level. Finally, we discuss about growth strategies allowing optimizing the Ge growth/doping process for optoelectronic applications. - Highlights: • We investigate the effect of tensile strain and n-doping on Ge optical properties. • We show that cyclic annealing allows getting a tensile strain up to 0.30% in Ge. • n-Doping of Ge/Si films is performed using a GaP decomposition source. • We show that n-doping is more important to enhance the photoluminescence intensity. • We present new growth strategies to develop Ge

  18. Molecular dynamics investigation of separation of hydrogen sulfide from acidic gas mixtures inside metal-doped graphite micropores.

    Science.gov (United States)

    Huang, Pei-Hsing

    2015-09-21

    The separation of poisonous compounds from various process fluids has long been highly intractable, motivating the present study on the dynamic separation of H2S in acidic-gas-mixture-filled micropores. The molecular dynamics approach, coupled with the isothermal-isochoric ensemble, was used to model the molecular interactions and adsorption of H2S/CO2/CO/H2O mixtures inside metal-doped graphite slits. Due to the difference in the adsorption characteristics between the two distinct adsorbent materials, the metal dopant in the graphitic micropores leads to competitive adsorption, i.e. the Au and graphite walls compete to capture free adsorbates. The effects of competitive adsorption, coupled with changes in the gas temperature, concentration, constituent ratio and slit width on the constituent separation of mixtures were systematically studied. The molecule-wall binding energies calculated in this work (those of H2S, H2O and CO on Au walls and those of H2O, CO and CO2 on graphite walls) show good agreement with those obtained using density functional theory (DFT) and experimental results. The z-directional self-diffusivities (Dz) for adsorbates inside the slit ranged from 10(-9) to 10(-7) m(2) s(-1) as the temperature was increased from 10 to 500 K. The values are comparable with those for a typical microporous fluid (10(-8)-10(-9) m(2) s(-1) in a condensed phase and 10(-6)-10(-7) m(2) s(-1) in the gaseous state). The formation of H-bonding networks and hydrates of H2S is disadvantageous for the separation of mixtures. The results indicate that H2S can be efficiently separated from acidic gas mixtures onto the Au(111) surface by (i) reducing the mole fraction of H2S and H2O in the mixtures, (ii) raising the gas temperature to the high temperature limit (≥400 K), and (iii) lowering the slit width to below the threshold dimension (≤23.26 Å).

  19. Molecular dynamics of glycine ions in alanine doped TGS single crystal as probed by polarized laser raman spectroscopy

    Science.gov (United States)

    Bajpai, P. K.; Verma, A. L.

    2012-10-01

    Polarized Raman spectra of pure and alanine doped tri-glycine sulfate (TGS) single crystals at 12 K in different scattering geometries are analyzed. Sub species modes due to three crystallographically distinguishable glycine ions G (I), G (II) and G (III) are assigned. It is observed that alanine doping does not change the crystalline field and acts as local perturbation only. The major changes due to doping are observed in the relative intensities of different modes; most of the modes associated with G (I) and SO42- ions show reversal behavior in relative intensity at high doping concentration. The observed spectral changes are analyzed in terms of reorientation of G (I) ions with sub species modes of G (II)/ G (III) following the reorientation due to complex hydrogen bonding network.

  20. Path integral molecular dynamics simulation of quasi-free rotational motion of CO doped in a large para-hydrogen cluster

    Science.gov (United States)

    Mizumoto, Yoshihiko; Ohtsuki, Yukiyoshi

    2011-01-01

    Path integral molecular dynamics simulation is used to study the rotational motion of a CO molecule doped in a large para-hydrogen (p-H2) cluster. The quasi-free rotational motion of CO in a p-H2 cluster with a reduced rotational constant is derived from the imaginary-time orientational correlation functions, and is in good agreement with recent experimental observations. We attribute the reduced rotational constant to the low-viscous fluid-like behavior of the host p-H2 cluster.

  1. Blue to near-IR energy transfer cascade within a dye-doped polymer matrix, mediated by a photochromic molecular switch.

    Science.gov (United States)

    Dryza, Viktoras; Smith, Trevor A; Bieske, Evan J

    2016-02-21

    The spectroscopic properties of a poly(methyl methacrylate) matrix doped with a coumarin dye, a cyanine dye, and a photochromic spiropyran dye have been investigated. Before UV irradiation of the matrix, excitation of the coumarin dye results in minimal energy transfer to the cyanine dye. The energy transfer is substantially enhanced following UV irradiation of the matrix, which converts the colourless spiropyran isomer to the coloured merocyanine isomer, which then acts as an intermediate bridge by accepting energy from the coumarin dye and then donating energy to the cyanine dye. This demonstration of a switchable energy transfer cascade should help initiate new research directions in molecular photonics.

  2. Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene

    Science.gov (United States)

    Hizhnyi, Yuriy; Nedilko, Sergii; Borysiuk, Viktor; Shyichuk, Andrii

    2017-01-01

    Density functional theory (DFT) computations of the electronic structures of undoped, B- and N-doped CNT(3,3), CNT(5,5) carbon nanotubes, and graphene with adsorbed chromate anions CrO4 2- were performed within molecular cluster approach. Relaxed geometries, binding energies, charge differences of the adsorbed CrO4 2- anions, and electronic wave function contour plots were calculated using B3LYP hybrid exchange-correlation functional. Oscillator strengths of electronic transitions of CrO4 2- anions adsorbed on the surfaces of studied carbon nanostructures were calculated by the TD-DFT method. Calculations reveal covalent bonding between the anion and the adsorbents in all studied adsorption configurations. For all studied types of adsorbent structures, doping with N strengthens chemical bonding with CrO4 2- anions, providing a 2-eV increase in binding energies comparatively to adsorption of the anion on undoped adsorbents. Additional electronic transitions of CrO4 2- anions appear in the orange-green spectral region when the anions are adsorbed on the N-doped low-diameter carbon nanotubes CNT(3,3) and CNT(5,5).

  3. Nanostructure formation during relatively high temperature growth of Mn-doped GaAs by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Del Río-De Santiago, A.; Méndez-García, V.H. [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico); Martínez-Velis, I.; Casallas-Moreno, Y.L. [Physics Department, CINVESTAV-IPN, Apdo. Postal 14470 D. F. México, México (Mexico); López-Luna, E. [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico); Yu Gorbatchev, A. [IICO-UASLP, Av. Karakorum 1470, Lomas 4a. Sección, San Luis Potosí, S.L.P. 78210, México (Mexico); López-López, M. [Physics Department, CINVESTAV-IPN, Apdo. Postal 14470 D. F. México, México (Mexico); Cruz-Hernández, E., E-mail: esteban.cruz@uaslp.mx [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico)

    2015-04-01

    Highlights: • The formation of different kind of nanostructures in GaMnAs layers depending on Mn concentration at relative HT-MBE is reported. In this Mn% range, it is found the formation of nanogrooves, nanoleaves, and nanowires. • It is shown the progressive photoluminescence transitions from purely GaAsMn zinc blende (for Mn% = 0.01) to a mixture of zinc blende and wurtzite GaAsMn (for Mn% = 0.2). • A critical thickness for the Mn catalyst effect was determined by RHEED. - Abstract: In the present work, we report on molecular beam epitaxy growth of Mn-doped GaAs films at the relatively high temperature (HT) of 530 °C. We found that by increasing the Mn atomic percent, Mn%, from 0.01 to 0.2, the surface morphology of the samples is strongly influenced and changes from planar to corrugated for Mn% values from 0.01 to 0.05, corresponding to nanostructures on the surface with dimensions of 200–300 nm and with the shape of leave, to nanowire-like structures for Mn% values above 0.05. From reflection high-energy electron diffraction patterns, we observed the growth mode transition from two- to three-dimensional occurring at a Mn% exceeding 0.05. The optical and electrical properties were obtained from photoluminescence (PL) and Hall effect measurements, respectively. For the higher Mn concentration, besides the Mn related transitions at approximately 1.41 eV, PL spectra sharp peaks are present between 1.43 and 1.49 eV, which we related to the coexistence of zinc blende and wurtzite phases in the nanowire-like structures of this sample. At Mn% of 0.04, an increase of the carrier mobility up to a value of 1.1 × 10{sup 3} cm{sup 2}/Vs at 77 K was found, then decreases as Mn% is further increased due to the strengthening of the ionized impurity scattering.

  4. First principle studies on molecular doping of ZnO thin films by As{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Sorgenfrei, T.; Bachem, K.H.; Schneider, J.; Fiederle, M. [Freiburger Materialforschungszentrum FMF, Freiburg Univ. (Germany); Kirste, L.; Kunzer, M. [Fraunhofer Institut fuer Angewandte Festkoerperphysik IAF, Freiburg (Germany)

    2012-03-15

    This work investigates the extrinsic molecular doping of zinc oxide (ZnO) thin films grown by plasma enhanced molecular beam epitaxy (P-MBE). The dopant was thermally evaporated arsenic trioxide (formula: As{sub 2}O{sub 3} in the solid state), which appears as As{sub 4}O{sub 6} molecule in the gaseous phase. Cracking experiments of these As4O6 molecules were made using a radio frequency oxygen plasma. Structural, chemical and optical investigations were made with (High Resolution) X-ray diffraction (HRXRD), secondary ion mass spectroscopy (SIMS) and photoluminescence (PL). These results show high incorporation rates (about 2x10{sup 18} cm{sup -3}) and optical activity of the dopant. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Improving biogas separation and methane storage with multilayer graphene nanostructure via layer spacing optimization and lithium doping: a molecular simulation investigation.

    Science.gov (United States)

    Chen, Jie-Jie; Li, Wen-Wei; Li, Xue-Liang; Yu, Han-Qing

    2012-09-18

    Methane is a desirable alternative to conventional fossil fuels, and also a main component of biogas from anaerobic fermentation of organic wastes. However, its relatively lower purity and poor storage by existing adsorbent materials negatively affect its wide application. Thus, efficient, cost-effective, and safe adsorbent materials for methane purification and storage are highly desired. In this study, multilayer graphene nanostructures (MGNs) with optimized structure are investigated as a potential adsorbent for this purpose. The effects of layer distance and Li doping on MGN performance in terms of methane storage and acid gas (H(2)S and CO(2)) separation from biogas are examined by molecular simulations. The mechanisms for the interactions between gas molecules and substrates are elucidated by analyzing the binding energy, geometric structures, and charge distribution from the first-principles calculations. The results show that nonhydrocarbons in biogas can be effectively separated using Li-doped MGNs with the optimal layer distance of 0.68 nm, and then the pure methane gas can be stored in MGNs with capacity satisfying the DOE target. This work offers a molecular-level insight into the interactions between gas molecules and MGNs and might provide useful information for development of new materials for methane purification and storage.

  6. Doping of organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Luessem, B.; Riede, M.; Leo, K. [Institut fuer Angewandte Photophysik, TU Dresden (Germany)

    2013-01-15

    The understanding and applications of organic semiconductors have shown remarkable progress in recent years. This material class has been developed from being a lab curiosity to the basis of first successful products as small organic LED (OLED) displays; other areas of application such as OLED lighting and organic photovoltaics are on the verge of broad commercialization. Organic semiconductors are superior to inorganic ones for low-cost and large-area optoelectronics due to their flexibility, easy deposition, and broad variety, making tailor-made materials possible. However, electrical doping of organic semiconductors, i.e. the controlled adjustment of Fermi level that has been extremely important to the success of inorganic semiconductors, is still in its infancy. This review will discuss recent work on both fundamental principles and applications of doping, focused primarily to doping of evaporated organic layers with molecular dopants. Recently, both p- and n-type molecular dopants have been developed that lead to efficient and stable doping of organic thin films. Due to doping, the conductivity of the doped layers increases several orders of magnitude and allows for quasi-Ohmic contacts between organic layers and metal electrodes. Besides reducing voltage losses, doping thus also gives design freedom in terms of transport layer thickness and electrode choice. The use of doping in applications like OLEDs and organic solar cells is highlighted in this review. Overall, controlled molecular doping can be considered as key enabling technology for many different organic device types that can lead to significant improvements in efficiencies and lifetimes. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Fe₃O₄@rGO doped molecularly imprinted polymer membrane based on magnetic field directed self-assembly for the determination of amaranth.

    Science.gov (United States)

    Han, Qing; Wang, Xi; Yang, Zaiyue; Zhu, Wanying; Zhou, Xuemin; Jiang, Huijun

    2014-06-01

    Based on magnetic field directed self-assembly (MDSA) of Fe3O4@rGO composites, a novel magnetic molecularly imprinted electrochemical sensor (MIES) was fabricated and developed for the determination of the azo dye amaranth. Fe3O4@rGO composites were obtained by a one-step approach involving the initial intercalating of iron ions between the graphene oxide layers via the electrostatic interaction, followed by the reduction with hydrazine hydrate to deposit Fe3O4 nanoparticles onto the reduced oxide graphene nanosheets. In molecular imprinting, the complex including the function monomer of aniline, the template of amaranth and Fe3O4@rGO was pre-assembled through π-π stacking and hydrogen bonding interactions, and then was self-assembled on the surface of magnetic glassy carbon electrode (MGCE) with the help of magnetic field induction before electropolymerization. The structures and morphologies of Fe3O4@rGO and the doped molecularly imprinted polymers (MIPs) were investigated by Fourier transform infrared spectrometer (FT-IR), Raman spectra and scanning electron microscope (SEM). Besides, the characterization by differential pulse voltammetry (DPV) showed that Fe3O4@rGO composites promoted the electrical conductivity of the imprinted sensors when doped into the MIPs. The adsorption isotherms and adsorption kinetics were employed to evaluate the performances of MIES. The detection of amaranth was achieved via the redox probe K3[Fe(CN)6] by blocking the imprinted cavities, which avoided the interferences of oxidation products and analogs of amaranth. Furthermore, the prepared MIES exhibited good sensitivity, selectivity, reproducibility and efficiency for detecting amaranth in fruit drinks. The average recoveries were 93.15-100.81% with the RSD <3.0%.

  8. Vacancy-type defects in Mg-doped GaN grown by ammonia-based molecular beam epitaxy probed using a monoenergetic positron beam

    Science.gov (United States)

    Uedono, Akira; Malinverni, Marco; Martin, Denis; Okumura, Hironori; Ishibashi, Shoji; Grandjean, Nicolas

    2016-06-01

    Vacancy-type defects in Mg-doped GaN were probed using a monoenergetic positron beam. GaN films with a thickness of 0.5-0.7 μm were grown on GaN/sapphire templates using ammonia-based molecular beam epitaxy and characterized by measuring Doppler broadening spectra. Although no vacancies were detected in samples with a Mg concentration [Mg] below 7 × 1019 cm-3, vacancy-type defects were introduced starting at above [Mg] = 1 × 1020 cm-3. The major defect species was identified as a complex between Ga vacancy (VGa) and multiple nitrogen vacancies (VNs). The introduction of vacancy complexes was found to correlate with a decrease in the net acceptor concentration, suggesting that the defect introduction is closely related to the carrier compensation. We also investigated Mg-doped GaN layers grown using In as the surfactant. The formation of vacancy complexes was suppressed in the subsurface region (≤80 nm). The observed depth distribution of defects was attributed to the thermal instability of the defects, which resulted in the introduction of vacancy complexes during the deposition process.

  9. Study of the conduction-type conversion in Si-doped (631)A GaAs layers grown by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Cruz-Hernandez, E.; Vazquez-Cortes, D.; Mendez-Garcia, V.H. [Coordinacion para la Innovacion y Aplicacion de la Ciencia y Tecnologia, Universidad Autonoma de San Luis Potosi, Av. Sierra Leona 550, Col. Lomas 2a. Seccion, San Luis Potosi, S.L.P. 78210 (Mexico); Shimomura, S. [Graduate School of Science and Engineering, Ehime University, 3 Bukyo-cho, Matsuyama, Ehime 790-8577 (Japan); Lopez-Lopez, M. [Physics Department, Centro de Investigacion y de Estudios Avanzados del IPN, Apartado Postal 14-740, Mexico DF 07000 (Mexico)

    2011-02-15

    We report the Si-doping of GaAs (631)A layers grown by molecular beam epitaxy under different As overpressure. From Hall effect measurements, we have found that the increase of the As pressure induces conduction conversion from p- to n-type, which is presumably related to lattice site switching of Si occupying an As site (where Si is acceptor) to a Ga site (where Si acts as a donor). This conversion is also studied by photoluminescence (PL) spectroscopy. The sharp conductivity conversion, at a critical As pressure value of 1.4-1.7 x 10{sup -5} mbar is reflected in the optical properties of the samples by a change of As vacancy defects into pairs of Ga vacancy and Ga antisite defects. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Alloy formation during molecular beam epitaxy growth of Si-doped InAs nanowires on GaAs[111]B.

    Science.gov (United States)

    Davydok, Anton; Rieger, Torsten; Biermanns, Andreas; Saqib, Muhammad; Grap, Thomas; Lepsa, Mihail Ion; Pietsch, Ullrich

    2013-08-01

    Vertically aligned InAs nanowires (NWs) doped with Si were grown self-assisted by molecular beam epitaxy on GaAs[111]B substrates covered with a thin SiO x layer. Using out-of-plane X-ray diffraction, the influence of Si supply on the growth process and nanostructure formation was studied. It was found that the number of parasitic crystallites grown between the NWs increases with increasing Si flux. In addition, the formation of a Ga0.2In0.8As alloy was observed if the growth was performed on samples covered by a defective oxide layer. This alloy formation is observed within the crystallites and not within the nanowires. The Ga concentration is determined from the lattice mismatch of the crystallites relative to the InAs nanowires. No alloy formation is found for samples with faultless oxide layers.

  11. Electrochemical characterization of praseodymia doped zircon. Catalytic effect on the electrochemical reduction of molecular oxygen in polar organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Domenech, Antonio, E-mail: antonio.domenech@uv.es [Departament de Quimica Analitica, Universitat de Valencia, Dr. Moliner, 50, 46100 Burjassot, Valencia (Spain); Montoya, Noemi; Alarcon, Javier [Departament de Quimica Inorganica, Universitat de Valencia, Dr. Moliner, 50, 46100 Burjassot, Valencia (Spain)

    2011-08-01

    Highlights: > Electrochemical characterization of Pr centers in praseodymia-doped zircon. > Study of the catalytic effect on the reduction of peroxide radical anion in nonaqueous solvents. > Assessment of non-uniform distribution of Pr centers in the zircon grains. - Abstract: The voltammetry of microparticles and scanning electrochemical microscopy methodologies are applied to characterize praseodymium centers in praseodymia-doped zircon (Pr{sub x}Zr{sub (1-y)}Si{sub (1-z)}O{sub 4}; y + z = x; 0.02 < x < 0.10) specimens prepared via sol-gel synthetic routes. In contact with aqueous electrolytes, two overlapping Pr-centered cathodic processes, attributable to the Pr (IV) to Pr (III) reduction of Pr centers in different sites are obtained. In water-containing, air-saturated acetone and DMSO solutions as solvent, Pr{sub x}Zr{sub (1-y)}Si{sub (1-z)}O{sub 4} materials produce a significant catalytic effect on the electrochemical reduction of peroxide radical anion electrochemically generated. These electrochemical features denote that most of the Pr centers are originally in its 4+ oxidation state in the parent Pr{sub x}Zr{sub (1-y)}Si{sub (1-z)}O{sub 4} specimens. The variation of the catalytic performance of such specimens with potential scan rate, water concentration and Pr loading suggests that Pr is not uniformly distributed within the zircon grains, being concentrated in the outer region of such grains.

  12. The improved efficiency of low molecular weight organic solar cells doped with a Cu(I) triplet material

    Science.gov (United States)

    Su, Bin; Gao, Lin; Li, Xiuying; Che, Guangbo; Zhu, Enwei; Wang, Bo; Yan, Yongsheng

    2016-08-01

    We developed a method to improve the performance of the copper phthalocyanine (CuPc)/fullerene (C60) organic solar cells (OSCs) by doping CuPc with a long triplet lifetime material. By doping [Cu(bis[2-(diphenylphosphino)phenyl]ether)(benzo[i]dipyrido[3,2-a:2',3'-c]phenazine)]BF4 (CuDB) into CuPc, the enhanced short-circuit current density ( J SC) of 6.213 mA/cm2, open-circuit voltage ( V OC) of 0.39 V and a peak power conversion efficiency (PCE) of 0.92% compared to 0.79% of the standard CuPc/C60 OSCs are achieved under 1 sun AM 1.5 G illumination at an intensity of 100 mW/cm2. The performance improvement is mainly attributed to the long triplet lifetime of CuDB (τ = 70.05 μs) which leads to more effective exciton dissociation.

  13. Borazino-Doped Polyphenylenes.

    Science.gov (United States)

    Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide

    2017-04-19

    The divergent synthesis of two series of borazino-doped polyphenylenes, in which one or more aryl units are replaced by borazine rings, is reported for the first time, taking advantage of the decarbonylative [4 + 2] Diels-Alder cycloaddition reaction between ethynyl and tetraphenylcyclopentadienone derivatives. Because of the possibility of functionalizing the borazine core with different groups on the aryl substituents at the N and B atoms of the borazino core, we have prepared borazino-doped polyphenylenes featuring different doping dosages and orientations. To achieve this, two molecular modules were prepared: a core and a branching unit. Depending on the chemical natures of the central aromatic module and the reactive group, each covalent combination of the modules yields one exclusive doping pattern. By means of this approach, three- and hexa-branched hybrid polyphenylenes featuring controlled orientations and dosages of the doping B3N3 rings have been prepared. Detailed photophysical investigations showed that as the doping dosage is increased, the strong luminescent signal is progressively reduced. This suggests that the presence of the B3N3 rings engages additional deactivation pathways, possibly involving excited states with an increasing charge-separated character that are restricted in the full-carbon analogues. Notably, a strong effect of the orientational doping on the fluorescence quantum yield was observed for those hybrid polyphenylene structures featuring low doping dosages. Finally, we showed that Cu-catalyzed 1,3-dipolar cycloaddition is also chemically compatible with the BN core, further endorsing the inorganic benzene as a versatile aromatic scaffold for engineering of molecular materials with tailored and exploitable optoelectronic properties.

  14. DFT, NBO and molecular docking studies of the adsorption of fluoxetine into and on the surface of simple and sulfur-doped carbon nanotubes

    Science.gov (United States)

    Shahabi, Dana; Tavakol, Hossein

    2017-10-01

    In this study, noncovalent interactions between Fluoxetine (FX) and different carbon nanotubes (CNTs) or sulfur doped carbon nanotubes (SCNTs) were fully considered using DFT, natural bond orbital (NBO) and molecular docking calculations. Two different CNTs (and SCNTs) with 7,7 and 8,8 chiralities were considered as the adsorbents and the adsorption of FX by these adsorbents were studied in two cases: into the nanotubes and on their surfaces. The results of DFT and NBO calculations proposed that the 8,8 nanotubes are more suitable adsorbents for FX because the energies of their adsorptions are minimum. Population: analyses were also proposed that the adsorption of FX by SCNTs lead to more changes in electronic and sensing properties than the adsorption by CNTs. Moreover, the adsorption energies, obtained from molecular docking calculations (using 94 different models), proposed that the adsorption of FX into (versus out of) the nanotubes, adsorption processes by double-walled or triple-walled (versus single-walled) nanotubes and the adsorption by nanotubes with 8,8 chiralities are the most favorable adsorption processes.

  15. Fabrication of water-dispersible and highly conductive PSS-doped PANI/graphene nanocomposites using a high-molecular weight PSS dopant and their application in H2S detection.

    Science.gov (United States)

    Cho, Sunghun; Lee, Jun Seop; Jun, Jaemoon; Kim, Sung Gun; Jang, Jyongsik

    2014-12-21

    This work describes the fabrication of poly(4-styrenesulfonic acid)-doped polyaniline/graphene (PSS-doped PANI/graphene) nanocomposites and their use as sensing elements for hydrogen sulfide (H2S) detection. PSS with a weight-average molecular weight (Mw) of 1.96 × 10(6) was synthesized using low-temperature free-radical polymerization. The PSS was used as both a doping agent and a binding agent for the polymerization of aniline monomers in a biphasic system (water-chloroform) at -50 °C. The high Mw of PSS resulted in relatively large particle sizes and smooth surfaces of the PSS-doped PANI. These physical characteristics, in turn, resulted in low interparticle resistance and high conductivity. In addition, the PSS allowed homogeneous dispersion of reduced graphene sheets through electrostatic repulsion. The prepared PSS-doped PANI/graphene solutions showed good compatibility with flexible poly(ethylene terephthalate) (PET) substrates, making them suitable for flexible sensor electrodes. Changes in the charge-transport properties, such as protonation level, conjugation length, crystalline structure, and charge-transfer resistance, of the electrode materials were the main factors influencing the electrical and sensor performance of the PSS-doped PANI-based electrodes. PSS-doped PANI/graphene composites containing 30 wt% graphene showed the highest conductivity (168.4 S cm(-1)) and the lowest minimum detection level (MDL) for H2S gas (1 ppm). This result is consistent with the observed improvements in charge transport in the electrode materials via strong π-π stacking interactions between the PANI and the graphene sheets.

  16. Ab initio electronic structure and correlations in pristine and potassium-doped molecular crystals of copper phthalocyanine

    NARCIS (Netherlands)

    Giovannetti, Gianluca; Brocks, Geert; Brink, van den Jeroen

    2008-01-01

    We investigate the effect that potassium intercalation has on the electronic structure of copper phthalocyanine (CuPc) molecular crystals by means of ab initio density functional calculations. Pristine CuPc (in its alpha and beta structures) is found to be an insulator containing local magnetic mome

  17. Ab initio electronic structure and correlations in pristine and potassium-doped molecular crystals of copper phthalocyanine

    NARCIS (Netherlands)

    Giovannetti, G.; Brocks, G.; van den Brink, J.

    2008-01-01

    We investigate the effect that potassium intercalation has on the electronic structure of copper phthalocyanine (CuPc) molecular crystals by means of ab initio density functional calculations. Pristine CuPc (in its alpha and beta structures) is found to be an insulator containing local magnetic

  18. Ab initio electronic structure and correlations in pristine and potassium-doped molecular crystals of copper phthalocyanine

    NARCIS (Netherlands)

    Giovannetti, G.; Brocks, G.; van den Brink, J.

    2008-01-01

    We investigate the effect that potassium intercalation has on the electronic structure of copper phthalocyanine (CuPc) molecular crystals by means of ab initio density functional calculations. Pristine CuPc (in its alpha and beta structures) is found to be an insulator containing local magnetic mome

  19. Doping control of GaAsPN alloys by molecular beam epitaxy for monolithic III-V/Si tandem solar cells

    Science.gov (United States)

    Yamane, Keisuke; Sato, Kento; Sekiguchi, Hiroto; Okada, Hiroshi; Wakahara, Akihiro

    2017-09-01

    This paper presents intentional doping of n- and p-type GaAs0.19P0.76N0.05 alloys by molecular beam epitaxy, followed by rapid thermal annealing (RTA). Sulfur and magnesium were respectively used as n- and p-type dopants. The carrier concentrations were controllable between 1017 and 1019 cm-3 by adjusting the dopant cell temperature. It was revealed that Hall mobility of the n-type GaAsPN alloys was increased by the RTA process compared to as-grown ones, whereas no significant difference was apparent in the p-type alloys. It is believed that improvement of the conduction band spatial uniformity was mainly responsible for the Hall mobility increase of the n-type GaAsPN alloys by RTA. Finally, a p-i-n GaAsPN diode structure was grown on n-type GaP substrates. A current-voltage characteristic showed a typical rectifying curve with a built-in voltage of 1.8 V and an ideality factor of 1.45. The reverse saturation current was estimated to be less than 10 nA/cm2.

  20. Molecular Signature of Pseudomonas aeruginosa with Simultaneous Nanomolar Detection of Quorum Sensing Signaling Molecules at a Boron-Doped Diamond Electrode

    Science.gov (United States)

    Buzid, Alyah; Shang, Fengjun; Reen, F. Jerry; Muimhneacháin, Eoin Ó.; Clarke, Sarah L.; Zhou, Lin; Luong, John H. T.; O’Gara, Fergal; McGlacken, Gerard P.; Glennon, Jeremy D.

    2016-07-01

    Electroanalysis was performed using a boron-doped diamond (BDD) electrode for the simultaneous detection of 2-heptyl-3-hydroxy-4-quinolone (PQS), 2-heptyl-4-hydroxyquinoline (HHQ) and pyocyanin (PYO). PQS and its precursor HHQ are two important signal molecules produced by Pseudomonas aeruginosa, while PYO is a redox active toxin involved in virulence and pathogenesis. This Gram-negative and opportunistic human pathogen is associated with a hospital-acquired infection particularly in patients with compromised immunity and is the primary cause of morbidity and mortality in cystic fibrosis (CF) patients. Early detection is crucial in the clinical management of this pathogen, with established infections entering a biofilm lifestyle that is refractory to conventional antibiotic therapies. Herein, a detection procedure was optimized and proven for the simultaneous detection of PYO, HHQ and PQS in standard mixtures, biological samples, and P. aeruginosa spiked CF sputum samples with remarkable sensitivity, down to nanomolar levels. Differential pulse voltammetry (DPV) scans were also applicable for monitoring the production of PYO, HHQ and PQS in P. aeruginosa PA14 over 8 h of cultivation. The simultaneous detection of these three compounds represents a molecular signature specific to this pathogen.

  1. Molecular Dynamics Study of Poly And Monocrystalline CdS/CdTe Junctions and Cu Doped Znte Back Contacts for Solar Cell Applications

    Science.gov (United States)

    Aguirre, Rodolfo, II

    Cadmium telluride (CdTe) is a material used to make solar cells because it absorbs the sunlight very efficiently and converts it into electricity. However, CdTe modules suffer from degradation of 1% over a period of 1 year. Improvements on the efficiency and stability can be achieved by designing better materials at the atomic scale. Experimental techniques to study materials at the atomic scale, such as Atomic Probe Tomography (APT) and Transmission Electron Microscope (TEM) are expensive and time consuming. On the other hand, Molecular Dynamics (MD) offers an inexpensive and fast computer simulation technique to study the growth evolution of materials with atomic scale resolution. In combination with advance characterization software, MD simulations provide atomistic visualization, defect analysis, structure maps, 3-D atomistic view, and composition profiles. MD simulations help to design better quality materials by predicting material behavior at the atomic scale. In this work, a new MD method to study several phenomena such as polycrystalline growth of CdTe-based materials, interdiffusion of atoms at interfaces, and deposition of a copper doped ZnTe back contact is established. Results are compared with experimental data found in the literature and experiments performed and shown to be in remarkably good agreement.

  2. Fe-doped semi-insulating GaN with solid Fe source grown on (110) Si substrates by NH3 molecular beam epitaxy

    Science.gov (United States)

    Noh, Young Kyun; Lee, Sang Tae; Kim, Moon Deock; Oh, Jae Eung

    2017-02-01

    Iron doped GaN layers were grown on (110) Si substrates by ammonia molecular beam epitaxy (MBE) using solid elemental iron as a source. Specular films with concentrations up to 1×1020 cm-3, as determined by secondary ion mass spectroscopy, were grown, unlike a limited incorporation of Fe into GaN by metal-rich rf plasma MBE. The Fe concentration in the film showed an exponential dependence on the inverse of source temperature with an activation energy of 3.4 eV, which agrees well to the reported value for the sublimation of Fe. A 1.5 μm thick GaN film with a sheet resistance of 1 GΩ/sq. was obtained by compensating unintentional residual donors with a small Fe concentration of 1×1017 cm-3. X-ray diffraction rocking curves indicated high crystalline quality, very similar to an undoped film, showing that the Fe incorporation required to obtain the semi-insulating film properties did not affect the structural properties of the film. The low-temperature PL spectra of highly resistive and semi-insulating Fe:GaN in the range of 1017 1018 cm-3 show dominant exciton emissions and enhanced donor-acceptor-pair (DAP) emissions, implying that Fe ions contribute to the DAP transition between donor levels and Fe-related acceptor levels, possibly compensating the residual donors to achieve the semi-insulating electrical properties.

  3. The development of a new optical sensor based on the Mn doped ZnS quantum dots modified with the molecularly imprinted polymers for sensitive recognition of florfenicol

    Science.gov (United States)

    Sadeghi, Susan; Jahani, Moslem; Belador, Foroogh

    2016-04-01

    The Mn doped ZnS quantum dots (Mn:ZnS QDs) capped with the florfenicol molecularly imprinted polymer (Mn:ZnS QDs@MIP) were prepared via the sol-gel surface imprinting approach using 3-aminopropyltriethoxysilane (APTES) as the functional monomer and tetraethoxysilane (TEOS) as the cross-linker for the optosensing of the florfenicol. Transmission electron microscopy (TEM), X-ray diffractometer, IR spectroscopy, UV-Vis absorption spectrophotometry, and spectrofluorometry were used to elucidate the formation, morphology, and identification of the products. To illustrate the usefulness of the new imprinted material, the non-imprinted coated Mn:ZnS QDs (Mn:ZnS QDs@NIP) were synthesized without the presence of the florfenicol. It was revealed that the fluorescence (FL) intensity of the Mn:ZnS QDs@MIP increased with increasing the FF concentration. Under the optimal conditions, changes in the FL intensity in the presence of the target molecule showed a linear response in the concentration range of 30-700 μmol L- 1 with a detection limit of 24 μmol L- 1. The developed method was finally applied successfully to the determination of FF in different meat samples with satisfactory recoveries.

  4. Molecular Signature of Pseudomonas aeruginosa with Simultaneous Nanomolar Detection of Quorum Sensing Signaling Molecules at a Boron-Doped Diamond Electrode

    Science.gov (United States)

    Buzid, Alyah; Shang, Fengjun; Reen, F. Jerry; Muimhneacháin, Eoin Ó; Clarke, Sarah L.; Zhou, Lin; Luong, John H. T.; O’Gara, Fergal; McGlacken, Gerard P.; Glennon, Jeremy D.

    2016-01-01

    Electroanalysis was performed using a boron-doped diamond (BDD) electrode for the simultaneous detection of 2-heptyl-3-hydroxy-4-quinolone (PQS), 2-heptyl-4-hydroxyquinoline (HHQ) and pyocyanin (PYO). PQS and its precursor HHQ are two important signal molecules produced by Pseudomonas aeruginosa, while PYO is a redox active toxin involved in virulence and pathogenesis. This Gram-negative and opportunistic human pathogen is associated with a hospital-acquired infection particularly in patients with compromised immunity and is the primary cause of morbidity and mortality in cystic fibrosis (CF) patients. Early detection is crucial in the clinical management of this pathogen, with established infections entering a biofilm lifestyle that is refractory to conventional antibiotic therapies. Herein, a detection procedure was optimized and proven for the simultaneous detection of PYO, HHQ and PQS in standard mixtures, biological samples, and P. aeruginosa spiked CF sputum samples with remarkable sensitivity, down to nanomolar levels. Differential pulse voltammetry (DPV) scans were also applicable for monitoring the production of PYO, HHQ and PQS in P. aeruginosa PA14 over 8 h of cultivation. The simultaneous detection of these three compounds represents a molecular signature specific to this pathogen. PMID:27427496

  5. Alkaline Earth Metal Zirconate Perovskites MZrO3 (M=Ba(2+), Sr(2+), Ca(2+)) Derived from Molecular Precursors and Doped with Eu(3+) Ions.

    Science.gov (United States)

    Drąg-Jarząbek, Anna; John, Łukasz; Petrus, Rafał; Kosińska-Klähn, Magdalena; Sobota, Piotr

    2016-03-24

    The effect of alkaline earth metal alkoxides on the protonation of zirconocene dichloride was investigated. This approach enabled the design of compounds with preset molecular structures for generating high-purity binary metal oxide perovskites MZrO3 (M=Ba(2+), Sr(2+), Ca(2+)). Single-source molecular precursors [Ba4 Zr2 (μ6 -O)(μ3 ,η(2)-OR)8 (OR)2(η(2) -HOR)2 (HOR)2 Cl4], [Sr4 Zr2 (μ6 -O)(μ3 ,η(2)-OR)8 (OR)2 (HOR)4 Cl4], [Ca4 Zr2 (μ6-O)(μ3 ,η(2)-OR)8 (OR)2 Cl4], and [Ca6 Zr2 (μ2 ,η(2)-OR)12 (μ-Cl)2 (η(2) -HOR)4 Cl6 ]⋅8 CH2 Cl2 were prepared via elimination of the cyclopentadienyl ring from Cp2 ZrCl2 as CpH in the presence of M(OR)2 and alcohol ROH (ROH=CH3OCH2 CH2OH) as a source of protons. The resulting complexes were characterized by elemental analysis, IR and NMR spectroscopy, and single-crystal X-ray diffraction. The compounds were then thermally decomposed to MCl2 /MZrO3 mixtures. Leaching of MCl2 from the raw powder with deionized water produced highly pure perovskite-like oxide particles of 40-80 nm in size. Luminescence studies on Eu(3+)-doped MZrO3 revealed that the perovskites are attractive host lattices for potential applications in display technology.

  6. Conductivity of Oriented Samaria-Doped Ceria Thin Films Grown by Oxygen-plasma-assisted Molecular Beam Epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Zhongqing; Kuchibhatla, Satyanarayana V N T; Saraf, Laxmikant V.; Marina, Olga A.; Wang, Chong M.; Engelhard, Mark H.; Shutthanandan, V.; Nachimuthu, Ponnusamy; Thevuthasan, Suntharampillai

    2008-03-11

    We have used oxygen-plasma-assisted molecular beam epitaxy (OPA-MBE) to grow highly oriented Ce1-xSmxO2-δ films on single crystal c-Al2O3. The samarium concentration, x, was varied in the range 1-33 atom%. It was observed that dominant (111) orientation in Ce1-xSmxO2-δ films can be maintained up to about 10 samarium atom% concentration. Films higher than 10 atom% Sm concentration started to show polycrystalline features. The highest conductivity of 0.04 S.cm-1, at 600 0C, was observed for films with ~ 5 atom% Sm concentration. A loss of orientation, triggering an enhanced grain boundary scattering, appears to be responsible for the decrease in conductivity at higher dopant concentrations.

  7. Gene doping in modern sport.

    Directory of Open Access Journals (Sweden)

    MAREK SAWCZUK

    2009-01-01

    Full Text Available Background: The subject of this paper is gene doping, which should be understood as "he non-therapeutic use of cells, genes, genetic elements, or of the modulation of gene expression, having the capacity to improve athletic performance". The authors of this work, based on the review of literature and previous research, make an attempt at wider characterization of gene doping and the discussion of related potential threats.Methods: This is a comprehensive survey of literature on the latest applications of molecular biology in medicine. The analysis involves a dozen scientific databases examined in order to find genes used in gene therapy and potentially useful in gene doping. Results: The obtained results enable better recognition of gene doping and indicate genes used in medicine that could be used in gene doping. This paper describes potential effects of their use and associated risk, and predicts the possible developments of gene doping in the future. Conclusion: Gene doping is undoubtedly a part of modern sport. Although WADA included gene doping on the list of banned methods as early as 2004, as previously stated above, it has not managed to develop efficient methods of detection.

  8. Low temperature p-type doping of (Al)GaN layers using ammonia molecular beam epitaxy for InGaN laser diodes

    Energy Technology Data Exchange (ETDEWEB)

    Malinverni, M., E-mail: marco.malinverni@epfl.ch; Lamy, J.-M.; Martin, D.; Grandjean, N. [ICMP, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Feltin, E.; Dorsaz, J. [NOVAGAN AG, CH-1015 Lausanne (Switzerland); Castiglia, A.; Rossetti, M.; Duelk, M.; Vélez, C. [EXALOS AG, CH-8952 Schlieren (Switzerland)

    2014-12-15

    We demonstrate state-of-the-art p-type (Al)GaN layers deposited at low temperature (740 °C) by ammonia molecular beam epitaxy (NH{sub 3}-MBE) to be used as top cladding of laser diodes (LDs) with the aim of further reducing the thermal budget on the InGaN quantum well active region. Typical p-type GaN resistivities and contact resistances are 0.4 Ω cm and 5 × 10{sup −4} Ω cm{sup 2}, respectively. As a test bed, we fabricated a hybrid laser structure emitting at 400 nm combining n-type AlGaN cladding and InGaN active region grown by metal-organic vapor phase epitaxy, with the p-doped waveguide and cladding layers grown by NH{sub 3}-MBE. Single-mode ridge-waveguide LD exhibits a threshold voltage as low as 4.3 V for an 800 × 2 μm{sup 2} ridge dimension and a threshold current density of ∼5 kA cm{sup −2} in continuous wave operation. The series resistance of the device is 6 Ω and the resistivity is 1.5 Ω cm, confirming thereby the excellent electrical properties of p-type Al{sub 0.06}Ga{sub 0.94}N:Mg despite the low growth temperature.

  9. The effect of nitrogen doping on mercury oxidation/chemical adsorption on the CuCo2O4(110) surface: a molecular-level description.

    Science.gov (United States)

    Mei, Zhijian; Fan, Maohong; Zhang, Ruiqing; Shen, Zhemin; Wang, Wenhua

    2014-07-14

    Based on density functional theory (DFT) calculations, the detailed mercury oxidation/chemical adsorption mechanisms on the N-doped CuCo2O4(110) surface are studied. The DFT calculations show that Ow (bonded with one Cu(2+) ion and one Co(3+) ion) is far more active than Os (bonded with three Co(3+) ions) and the mercury oxidation/chemical adsorption activation energy (Ea) on the virgin CuCo2O4(110) surface involving Ow is 0.85 eV. The physically adsorbed mercury overcomes the Ea and enters the energy well that plays an important role in mercury oxidation/chemical adsorption. Nitrogen doping can greatly increase the activity of Ow and decrease the activity of Os at the same time, which greatly affect the mercury oxidation/chemical adsorption abilities on the CuCo2O4(110) surface, and the Ea variation of mercury oxidation/chemical adsorption is as follows: 0.85 eV (virgin CuCo2O4(110)) → 0.76 eV (one N-doped CuCo2O4(110)) → 0.69 eV (two N-doped CuCo2O4(110)) → 0.48 eV (three N-doped CuCo2O4(110)). In addition, N-doping can decrease the adsorption energy of mercury and mercuric oxide. The effect of N-doping on the bonding mechanism of mercury adsorption on the CuCo2O4(110) surface is analyzed by the local density of state (LDOS) and the natural bonding orbital (NBO). The calculation results correspond well to the experimental data.

  10. MO-G-BRF-07: Optical Characterization of Novel Terbium-Doped Nanophosphors Excited by Clinical Electron and Photon Beams for Potential Use in Molecular Imaging Or Photodynamic Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Darafsheh, A; Paik, T; Tenuto, M; Najmr, S; Friedberg, J; Murray, C; Finlay, J [University of Pennsylvania, Philadelphia, PA (United States)

    2014-06-15

    Purpose: Optical properties of terbium (Tb3+)-doped gadolinium trifluoride (GdF3) nanoplates irradiated by electron and photon beams were investigated for their potential as optical probes. The contribution of induced Cerenkov radiation in exciting the nanophosphors was investigated as well. Methods: The emission spectra of Terbium-doped GdF3 dispersed in hexane, embedded in tissue mimicking phantoms were collected by an optical fiber connected to a CCD-coupled spectrograph, while the samples were irradiated by a medical linear accelerator with electron beams of energies 6, 9, 12, 16, and 20 MeV or X-ray beams of energies of 6, and 15 MV. The contribution of induced Cerenkov radiation in exciting the nanophosphores was investigated in a dedicated experimental apparatus through optical isolation of the samples and also by using 125 kVp X-ray beams whose energy is below the threshold for generating Cerenkov radiation in that medium. Results: Terbium-doped GdF3 nanoplates show characteristic cathodoluminescence emission peaks at 488, 543, 586, and 619 nm, which are responsible for the characteristic f-f transition of terbium ion. In a series of experiments, the contribution of Cerenkov radiation in the luminescence of such nanophosphors was ruled out. Conclusion: We have characterized the optical properties of Terbium-doped GdF3 nanoplates. Such nanocrystals with emission tunability and high surface area that facilitates attachment with targeting reagents are promising in situ light source candidates for molecular imaging or exciting a photosensitizer for ultralow fluence photodynamic therapy. This work is supported by the Department of Radiation Oncology at the University of Pennsylvania, the American Cancer Society through IRG-78-002-28, and the University of Pennsylvania's Nano/Bio Interface Center through NSEC DMR08-32802.

  11. Doping To Reduce Base Resistances Of Bipolar Transistors

    Science.gov (United States)

    Lin, True-Lon

    1991-01-01

    Modified doping profile proposed to reduce base resistance of bipolar transistors. A p/p+ base-doping profile reduces base resistance without reducing current gain. Proposed low/high base-doping profile realized by such low-temperature deposition techniques as molecular-beam epitaxy, ultra-high-vacuum chemical-vapor deposition, and limited-reaction epitaxy. Produces desired doping profiles without excessive diffusion of dopant.

  12. Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

    NARCIS (Netherlands)

    Saedi, Amirmehdi; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Harold J.W.

    2010-01-01

    The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the ad

  13. Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

    NARCIS (Netherlands)

    Saedi, A.; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

    2010-01-01

    The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the

  14. Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

    NARCIS (Netherlands)

    Saedi, A.; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

    2010-01-01

    The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the ad

  15. The psychology of doping.

    Science.gov (United States)

    Elbe, Anne-Marie; Barkoukis, Vassilis

    2017-08-01

    Doping is increasingly becoming a problem in both elite and recreational sports. It is therefore important to understand the psychological factors which can explain doping behavior in order to prevent it. The present paper briefly presents evidence on the prevalence of doping use in competitive sports and the measurement approaches to assess doping behavior and doping-related variables. Furthermore, the integrative theoretical approaches used to describe the psychological processes underlying doping use are discussed. Finally, the paper provides suggestions for appropriate measurement of doping behavior and doping-related variables, key preventive efforts against doping as well as avenues for future research. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Electronic Properties of Boron and Silicon Doped (10, 0 Zigzag Single-Walled Carbon Nanotube upon Gas Molecular Adsorption: A DFT Comparative Study

    Directory of Open Access Journals (Sweden)

    P. A. Gowri sankar

    2013-01-01

    Full Text Available We have performed a comparative study of nine predominant gas molecules (H2, H2O, O2, CO, CO2, NO, NO2, NH3, and CH3OH adsorption property on the top surface of the (10, 0 zigzag single-walled pristine Carbon nanotube (C-CNT, Boron doped carbon nanotube (B-CNT, and Silicon doped carbon nanotube (Si-CNT are investigated by using density functional theory (DFT computations to exploit their potential applications as gas sensors. For the first time, we calculated the optimal equilibrium position, absorption energy (Ead, and density of states (DOS of the considered gas molecules adsorbed on the open end of zigzag single-walled (10, 0 B-CNT and Si-CNT. Our first principle calculations demonstrate that the B-CNT and Si-CNT adsorbent materials are able to adsorb the considered gas molecules with variety of adsorption energy and their electronic structure dramatic changes in the density of states near the Fermi level. The obtained comparative DFT studies results are useful for designing a high-fidelity gas sensor materials and selective adsorbents for a selective gas sensor.

  17. Growth, Antimony Incorporation Behaviour and Beryllium Doping of GaAs1-ySby Grown on GaAs by Molecular Beam Epitaxy

    Institute of Scientific and Technical Information of China (English)

    GAO Han-Chao; WANG Wen-Xin; JIANG Zhong-Wei; LIU Jian; YANG Cheng-Liang; WU Dian-Zhong; ZHOU Jun-Ming; CHEN Hong

    2008-01-01

    @@ A series of GaAs1-ySby epilayers are grown on GaAs substrates under different growth conditions, Different antimony compositions of samples with beryllium doping are obtained.A non-equilibrium thermodynamics model is used to calibrate and fit the Sb composition.Activation energy of 0.37eV for the dissociation process of Sb4 molecules is obtained.Carrier mobility and concentration of samples are influenced by the Sb composition.Quasi-qualitative analysis of mobility is used to explain the relations among Sb composition, carrier mobility and concentration.High resolution x-ray diffraction (HRXRD) rocking curves and Hall effects measurements are used to determine the crystal quality, carrier mobility and concentration.

  18. The Rectification of the Doped Graphene Nanoribbon Based Molecular Junctions%掺杂Graphene纳米带基分子器件的整流特性

    Institute of Scientific and Technical Information of China (English)

    崔彬; 杜威; 刘德胜

    2011-01-01

    采用紧束缚方法,研究了Zigzag型和Armchar型Graphene纳米带的能谱结构和电子态分布,得到了相应的带隙和边界态.然后,使用格林函数方法,计算了极/Graphene纳米带/电极三明治结构的分子结的输运性质,并在掺杂的纳米带分子结中得到了整流特性.%We investigate the electronic properties of Graphene Nanoribbon under a tight - binding frame, and further we get the edge state of the Zigzag Ribbon and the band gap of the Archair ribbon. Then, we calculate the transport properties of some devices based on the grapheme nanoribbon combining a Green' s function formulism, and we get a rectification in the doped nanoribon.

  19. Efficient small molecular organic light emitting diode with graphene cathode covered by a Sm layer with nano-hollows and n-doped by Bphen:Cs2CO3 in the hollows.

    Science.gov (United States)

    Yao, Li; Li, Lei; Qin, Laixiang; Ma, Yaoguang; Wang, Wei; Meng, Hu; Jin, Weifeng; Wang, Yilun; Xu, Wanjin; Ran, Guangzhao; You, Liping; Qin, Guogang

    2017-03-10

    Graphene is a favorable candidate for electrodes of organic light emitting diodes (OLEDs). Graphene has quite a high work function of ∼4.5 eV, and has been extensively studied when used as anodes of OLEDs. In order to use graphene as a cathode, the electron injection barrier between the graphene cathode and the electron transport layer has to be low enough. Using 4,7-diphenyl-1,10-phenanthroline (Bphen):Cs2CO3 to n-dope graphene is a very good method, but the electron injection barrier between the n-doped graphene and Bphen:Cs2CO3 is still too high to be ∼1.0 eV. In this work, in order to further reduce the electron injection barrier, a novel method is suggested. On the graphene cathode, a Sm layer with a lot of nano-hollows, and subsequently a layer of Bphen:Cs2CO3, are deposited. The Bphen:Cs2CO3 can n-dope graphene in the nano-hollows, and the Fermi level of the graphene rises. The nano Sm layer is very easily oxidized. Oxygen adsorbed on the surface of graphene may react with Sm to form an O(-)-Sm(+) dipole layer. On the areas of the Sm oxide dipole layer without nano-hollows, the electron injection barrier can be further lowered by the dipole layer. Electrons tend to mainly inject through the lower electron barrier where the dipole layer exists. Based on this idea, an effective inverted small molecular OLED with the structure of graphene/1 nm Sm layer with a lot of nano-hollows/Bphen:Cs2CO3/Alq3:C545T/NPB/MoO3/Al is presented. The maximum current efficiency and maximum power efficiency of the OLED with a 1 nm Sm layer are about two and three times of those of the reference OLED without any Sm layer, respectively.

  20. Effect of free-carrier concentration and optical injection on carrier lifetimes in undoped and iodine doped CdMgTe/CdSeTe double heterostructures grown by molecular beam epitaxy

    Science.gov (United States)

    Sohal, S.; Edirisooriya, M.; Ogedengbe, O. S.; Petersen, J. E.; Swartz, C. H.; LeBlanc, E. G.; Myers, T. H.; Li, J. V.; Holtz, M.

    2016-12-01

    Time-resolved and time integrated photoluminescence (PL) studies are reported for undoped and doped CdMgTe/CdSeTe double heterostructures (DHs) grown by molecular beam epitaxy. Undoped DHs are studied with absorber layer thickness varying from 0.5 to 2.5 µm. The n-type free-carrier concentration is varied ~7  ×  1015, 8.4  ×  1016, and 8.4  ×  1017 cm-3 using iodine as a dopant in different absorber layer thicknesses (0.25-2.0 µm). Optical injection is varied from 1  ×  1010 to 3  ×  1011 photons/pulse/cm2, corresponding to the initial injection of photo-carriers up to ~8  ×  1015 cm-3, to examine the effects of excess carrier concentration on the PL lifetimes. Undoped DHs exhibit an initial rapid decay followed by a slower dependence with carrier lifetimes up to ~485 ns. The dependence of carrier lifetimes on the thickness of the absorber layers (0.5-2.5 µm) suggests interface recombination velocities ({{v}\\operatorname{int}}~ ) ~ 1288 and 238 cm s-1 in the initial and later decay times, respectively, corresponding to high and low photo-carrier concentrations. The Shockley-Read-Hall model is used to describe the results in which variations are observed in {{v}\\operatorname{int}}~ for undoped DHs. The lifetimes of doped DHs show a consistent trend with thickness. The {{v}\\operatorname{int}}~ ~ 80-200 cm s-1 is estimated for doping n ~ 7  ×  1015 cm-3 and 240-410 cm s-1 for n ~ 8.4  ×  1016 cm-3. The observed decrease in carrier lifetimes with increasing n is consistent with growing importance of the radiative recombination rate due to the excess carrier concentration. The effect of carrier concentration on the PL spectrum is also discussed.

  1. Efficient small molecular organic light emitting diode with graphene cathode covered by a Sm layer with nano-hollows and n-doped by Bphen:Cs2CO3 in the hollows

    Science.gov (United States)

    Yao, Li; Li, Lei; Qin, Laixiang; Ma, Yaoguang; Wang, Wei; Meng, Hu; Jin, Weifeng; Wang, Yilun; Xu, Wanjin; Ran, Guangzhao; You, Liping; Qin, Guogang

    2017-03-01

    Graphene is a favorable candidate for electrodes of organic light emitting diodes (OLEDs). Graphene has quite a high work function of ∼4.5 eV, and has been extensively studied when used as anodes of OLEDs. In order to use graphene as a cathode, the electron injection barrier between the graphene cathode and the electron transport layer has to be low enough. Using 4,7-diphenyl-1,10-phenanthroline (Bphen):Cs2CO3 to n-dope graphene is a very good method, but the electron injection barrier between the n-doped graphene and Bphen:Cs2CO3 is still too high to be ∼1.0 eV. In this work, in order to further reduce the electron injection barrier, a novel method is suggested. On the graphene cathode, a Sm layer with a lot of nano-hollows, and subsequently a layer of Bphen:Cs2CO3, are deposited. The Bphen:Cs2CO3 can n-dope graphene in the nano-hollows, and the Fermi level of the graphene rises. The nano Sm layer is very easily oxidized. Oxygen adsorbed on the surface of graphene may react with Sm to form an O‑–Sm+ dipole layer. On the areas of the Sm oxide dipole layer without nano-hollows, the electron injection barrier can be further lowered by the dipole layer. Electrons tend to mainly inject through the lower electron barrier where the dipole layer exists. Based on this idea, an effective inverted small molecular OLED with the structure of graphene/1 nm Sm layer with a lot of nano-hollows/Bphen:Cs2CO3/Alq3:C545T/NPB/MoO3/Al is presented. The maximum current efficiency and maximum power efficiency of the OLED with a 1 nm Sm layer are about two and three times of those of the reference OLED without any Sm layer, respectively.

  2. Hybrid Doping of Few-Layer Graphene via a Combination of Intercalation and Surface Doping

    KAUST Repository

    Mansour, Ahmed

    2017-05-23

    Surface molecular doping of graphene has been shown to modify its work function and increase its conductivity. However, the associated shifts in work function and increases in carrier concentration are highly coupled and limited by the surface coverage of dopant molecules on graphene. Here we show that few-layer graphene (FLG) can be doped using a hybrid approach, effectively combining surface doping by larger (metal-)organic molecules, while smaller molecules, such as Br2 and FeCl3, intercalate into the bulk. Intercalation tunes the carrier concentration more effectively, whereas surface doping of intercalated FLG can be used to tune its work function without reducing the carrier mobility. This multi-modal doping approach yields a very high carrier density and tunable work function for FLG, demonstrating a new versatile platform for fabricating graphene-based contacts for electronic, optoelectronic and photovoltaic applications.

  3. Terahertz radiation from delta-doped GaAs

    DEFF Research Database (Denmark)

    Birkedal, Dan; Hansen, Ole; Sørensen, Claus Birger;

    1994-01-01

    Terahertz pulse emission from four different delta-doped molecular beam epitaxially grown GaAs samples is studied. We observe a decrease of the emitted THz pulse amplitude as the distance of the delta-doped layer from the surface is increased, and a change in polarity of the THz pulses as compared...

  4. Hormones as doping in sports.

    Science.gov (United States)

    Duntas, Leonidas H; Popovic, Vera

    2013-04-01

    Though we may still sing today, as did Pindar in his eighth Olympian Victory Ode, "… of no contest greater than Olympia, Mother of Games, gold-wreathed Olympia…", we must sadly admit that today, besides blatant over-commercialization, there is no more ominous threat to the Olympic games than doping. Drug-use methods are steadily becoming more sophisticated and ever harder to detect, increasingly demanding the use of complex analytical procedures of biotechnology and molecular medicine. Special emphasis is thus given to anabolic androgenic steroids, recombinant growth hormone and erythropoietin as well as to gene doping, the newly developed mode of hormones abuse which, for its detection, necessitates high-tech methodology but also multidisciplinary individual measures incorporating educational and psychological methods. In this Olympic year, the present review offers an update on the current technologically advanced endocrine methods of doping while outlining the latest procedures applied-including both the successes and pitfalls of proteomics and metabolomics-to detect doping while contributing to combating this scourge.

  5. GENES IN SPORT AND DOPING

    Directory of Open Access Journals (Sweden)

    Andrzej Pokrywka

    2013-06-01

    Full Text Available Genes control biological processes such as muscle production of energy, mitochondria biogenesis, bone formation erythropoiesis, angiogenesis, vasodilation, neurogenesis, etc. DNA profiling for athletes reveals genetic variations that may be associated with endurance ability, muscle performance and power exercise, tendon susceptibility to injuries and psychological aptitude. Already, over 200 genes relating to physical performance have been identified by several research groups. Athletes’ genotyping is developing as a tool for the formulation of personalized training and nutritional programmes to optimize sport training as well as for the prediction of exercise-related injuries. On the other hand, development of molecular technology and gene therapy creates a risk of non-therapeutic use of cells, genes and genetic elements to improve athletic performance. Therefore, the World Anti-Doping Agency decided to include prohibition of gene doping within their World Anti-Doping Code in 2003. In this review article, we will provide a current overview of genes for use in athletes’ genotyping and gene doping possibilities, including their development and detection techniques.

  6. Preparation and study of controllable particle size of nickel-doped carbon molecular sieves%金属镍掺杂可控粒径碳分子筛的制备研究

    Institute of Scientific and Technical Information of China (English)

    刘瑾; 邓盾; 赵芬娜; 林庆文

    2011-01-01

    Nickel-doped carbon molecular sieves (CMS) with controlled particle size have been prepared by the method of inverse suspension polymerization to synthesize poly(furfuryl alcohol) with nickel nitrate as carbon precursor,utilizing template porous nanosilica, through a mild carbonization and post-treatment process. The preparation mechanism and micro-structure of CMS have been characterized through XRD,SEM, N2 adsorption,FT-IR and TGA. The results show that the different carbonization conditions have a definite effect on the particle size and distribution of CMS, additionally, when the carbonization temperature from 650℃ up to 700℃, the mesopore volume and the total pore volume raised to 0. 40 and 0. 67cm3/g,respectively. The micropore volume has expanded twice with the carbonization heating rate increased. The XRD and AAS analysis proved that nickel have been doped into CMS by ratio of 2.24wt% successfully.%采用反相悬浮聚合,以纳米SiO2为模板制备出含Ni2+的聚糠醇微粒,将其作为碳前驱体,经炭化和后处理成功制得Ni掺杂粒径可控碳分子筛(CMS).利用XRD、N2吸附、FT-IR和TGA对其制备机理和微结构进行了表征.结果表明,不同炭化条件对CMS粒径大小及分布有一定的影响;炭化温度由650℃升至700℃,介孔体积和总孔容量分别升至0.40和0.67cm3/g,升温速率提高微孔孔容量增加2倍;XRD和AAS分析显示有2.24%(质量分数)镍掺杂到CMS中.

  7. Doping control in sport

    DEFF Research Database (Denmark)

    Overbye, Marie Birch

    2016-01-01

    Doping testing is a key component enforced by anti-doping authorities to detect and deter doping in sport. Policy is developed to protect athletes' right to participate in doping-free sport; and testing is a key tool to secure this right. Accordingly, athletes' responses to anti-doping efforts...... a web-based questionnaire (N = 645; response rate 43%) and uses qualitative findings to elaborate on and explain quantitative results. Results showed that two-thirds of the athletes reported the national testing programme in their sport to be appropriate. A majority of the athletes who had an opinion...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-31

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

  9. Strontium-doped calcium polyphosphate/ultrahigh molecular weight polyethylene composites: A new class of artificial joint components with enhanced biological efficacy to aseptic loosening.

    Science.gov (United States)

    Gu, Zhipeng; Huang, Bingxue; Li, Yiwen; Tian, Meng; Li, Li; Yu, Xixun

    2016-04-01

    To enhance implant stability and prolong the service life of artificial joint component, a new approach was proposed to improve the wear resistance of artificial joint component and endow artificial joint component with the biological efficacy of resistance to aseptic loosening. Strontium calcium polyphosphate (SCPP) were interfused in ultrahigh molecular weight polyethylene (UHMWPE) by a combination of liquid nitrogen ball-milling and flat-panel curing process to prepare the SCPP/UHMWPE composites. The micro-structure, mechanical characterization, tribological characterization and bioactivities of various SCPP/UHMWPE composites were investigated. The results suggested that this method could statistically improve the wear resistance of UHMWPE resulting from a good SCPP particle dispersion. Moreover, it is also observed that the SCPP/UHMWPE composites-wear particles could promote the production of OPG by osteoblasts and decrease the production of RANKL by osteoblasts, and then increase the OPG/RANKL ratio. This indicated that the SCPP/UHMWPE composites had potential efficacy to prevent and treat aseptic loosening. Above all, the SCPP/UHMWPE composites with a suitable SCPP content would be the promising materials for fabricating artificial joint component with ability to resist aseptic loosening.

  10. Strontium-doped calcium polyphosphate/ultrahigh molecular weight polyethylene composites: A new class of artificial joint components with enhanced biological efficacy to aseptic loosening

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Zhipeng [College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China); Department of Neurosurgery, West China Hospital, Sichuan University, Chengdu 610041 (China); Huang, Bingxue; Li, Yiwen [College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China); Tian, Meng [Department of Neurosurgery, West China Hospital, Sichuan University, Chengdu 610041 (China); Li, Li [Department of Oncology, the 452 Hospital of Chinese PLA, Chengdu 610021 (China); Yu, Xixun, E-mail: yuxixun@163.com [College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China)

    2016-04-01

    To enhance implant stability and prolong the service life of artificial joint component, a new approach was proposed to improve the wear resistance of artificial joint component and endow artificial joint component with the biological efficacy of resistance to aseptic loosening. Strontium calcium polyphosphate (SCPP) were interfused in ultrahigh molecular weight polyethylene (UHMWPE) by a combination of liquid nitrogen ball-milling and flat-panel curing process to prepare the SCPP/UHMWPE composites. The micro-structure, mechanical characterization, tribological characterization and bioactivities of various SCPP/UHMWPE composites were investigated. The results suggested that this method could statistically improve the wear resistance of UHMWPE resulting from a good SCPP particle dispersion. Moreover, it is also observed that the SCPP/UHMWPE composites-wear particles could promote the production of OPG by osteoblasts and decrease the production of RANKL by osteoblasts, and then increase the OPG/RANKL ratio. This indicated that the SCPP/UHMWPE composites had potential efficacy to prevent and treat aseptic loosening. Above all, the SCPP/UHMWPE composites with a suitable SCPP content would be the promising materials for fabricating artificial joint component with ability to resist aseptic loosening. - Highlights: • SCPP/UHMWPE composites could enhance biological efficacy of resistance to aseptic loosening. • SCPP would improve biological efficacy with a few sacrifice of wear resistance. • The results might provide a promising wear-resistant material for fabricating acetabular cup.

  11. Interest of molecularly imprinted polymers in the fight against doping. Extraction of tamoxifen and its main metabolite from urine followed by high-performance liquid chromatography with UV detection.

    Science.gov (United States)

    Claude, Bérengère; Morin, Philippe; Bayoudh, Sami; de Ceaurriz, Jacques

    2008-07-04

    A molecular imprinted polymer (MIP) has been synthesized in order to specifically extract tamoxifen, a nonsteroidal antiestrogen, and its metabolites from urine by solid-phase extraction (SPE) before HPLC-UV analysis. Clomiphene, a chlorinated tamoxifen analogue, was selected as template for MIP synthesis. Polymerisation was achieved by thermal polymerisation of methacrylic acid (MAA) as functional monomer, ethylene glycol dimethacrylate (EDMA) as cross-linking agent and acetonitrile as porogen. The efficient elimination of the urinary matrix has been obtained by MIP-SPE but the elution recovery of tamoxifen was initially too low ( approximately 14%). This problem has been overcome following two ways. At first, a preliminary HLB-SPE of the urine has enabled to discard endogenous salts and to percolate an organic sample through the MIP cartridge. Extraction recoveries are equal to 56 and 74% for tamoxifen and 4-hydroxytamoxifen, respectively. Then, a second MIP has been prepared with styrene and MAA as functional co-monomers. Strong pi-pi interactions occurring between phenyl groups of styrene and tamoxifen promote rebinding of the analyte by the specific sites. The enhanced hydrophobic character of the imprinted polymer has enabled the direct percolation of urine through MIP-SPE and the easy elimination of endogenous salts from urine with only one aqueous washing step. HPLC-UV analysis has confirmed high extraction recoveries (85%) for tamoxifen and its metabolite with an enrichment factor of 8. This analytical protocol can selectively detect the presence of tamoxifen metabolites in urines and be useful as a proof of doping in competitive sports.

  12. The Anti-Doping Movement.

    Science.gov (United States)

    Willick, Stuart E; Miller, Geoffrey D; Eichner, Daniel

    2016-03-01

    Historical reports of doping in sports date as far back as the ancient Greek Olympic Games. The anti-doping community considers doping in sports to be cheating and a violation of the spirit of sport. During the past century, there has been an increasing awareness of the extent of doping in sports and the health risks of doping. In response, the anti-doping movement has endeavored to educate athletes and others about the health risks of doping and promote a level playing field. Doping control is now undertaken in most countries around the world and at most elite sports competitions. As athletes have found new ways to dope, however, the anti-doping community has endeavored to strengthen its educational and deterrence efforts. It is incumbent upon sports medicine professionals to understand the health risks of doping and all doping control processes.

  13. Polarization induced doped transistor

    Energy Technology Data Exchange (ETDEWEB)

    Xing, Huili (Grace); Jena, Debdeep; Nomoto, Kazuki; Song, Bo; Zhu, Mingda; Hu, Zongyang

    2016-06-07

    A nitride-based field effect transistor (FET) comprises a compositionally graded and polarization induced doped p-layer underlying at least one gate contact and a compositionally graded and doped n-channel underlying a source contact. The n-channel is converted from the p-layer to the n-channel by ion implantation, a buffer underlies the doped p-layer and the n-channel, and a drain underlies the buffer.

  14. Doping of Semi Conductors

    Directory of Open Access Journals (Sweden)

    V. V. Agashe

    1960-07-01

    Full Text Available Most of the semi-conductors are formed by addition of foreign substances in an insulator. This is called 'Doping'. These doped semi-conductors today are widely used in many electrical devices. Some of them are rectifiers, transistors, thermistors, oxides cathodes and photo-sensitive elements. This paper reviews the fundamental concept of impurity in semi-conductors and recent work on doping of the latter. Purification methods are described in the case of group IV elements and semi-conducting intermetallic compounds. Results of different physical measurements have been discussed in order to understand the role of 'doping'.

  15. The Dope Stops Here

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Beijing has been making preparations to present a dope-free Olympics next yearThe China Anti-Doping Agency,set up to replace the 17-year-old China Doping Control Center,was offi- cially unveiled in Beijing on November 12.Between July 27 next year,when the Olympic Village is opened to athletes,and August 24,the last day of the Olympic Games,a total of 4,500 doping tests will be conducted in the build- ing.This number is 25 percent higher than that of the Athens Olympic Games in 2004 and 63 percent higher than at the Sydney Olympics in 2000.

  16. To dope or not to dope

    DEFF Research Database (Denmark)

    Overbye, Marie Birch; Knudsen, Mette Lykke; Pfister, Gertrud Ursula

    2013-01-01

    tAim: This study aims to examine the circumstances which athletes say affect their (hypothetical) consid-erations of whether to dope or not and explore the differences between athletes of different gender, ageand sport type.Methods: 645 elite athletes (mean age: 22.12; response rate: 43%) represe......tAim: This study aims to examine the circumstances which athletes say affect their (hypothetical) consid-erations of whether to dope or not and explore the differences between athletes of different gender, ageand sport type.Methods: 645 elite athletes (mean age: 22.12; response rate: 43......%) representing 40 sports completed aweb-based questionnaire. Participants were asked to imagine themselves in a situation in which theyhad to decide whether to dope or not to dope and then evaluate how different circumstances would affecttheir decisions.Results: Multiple circumstances had an effect on athletes......’ hypothetical decisions. The most effective deter-rents were related to legal and social sanctions, side-effects and moral considerations. Female athletesand younger athletes evaluated more reasons as deterrents than older, male athletes. When confrontedwith incentives to dope, the type of sport was often...

  17. Improvement of photoemission performance of a gradient-doping transmission-mode GaAs photocathode

    Institute of Scientific and Technical Information of China (English)

    Zhang Yi-Jun; Niu Jun; Zhao Jing; Xiong Ya-Juan; Ren Ling; Chang Ben-Kang; Qian Yun-Sheng

    2011-01-01

    Two types of transmission-mode GaAs photocathodes grown by molecular beam epitaxy are compared in terms of activation process and spectral response,one has a gradient-doping structure and the other has a uniform-doping structure.The experimental results show that the gradient-doping photocathode can obtain a higher photoemission capability than the uniform-doping one. As a result of the downward graded band-bending structure,the cathode performance parameters,such as the electron average diffusion length and the surface electron escape probability obtained by fitting quantum yield curves,are greater for the gradient-doping photocathode.The electron diffusion length is within a range of from 2.0 to 5.4 μm for doping concentration varying from 1019 to 1018 cm-3 and the electron average diffusion length of the gradient-doping photocathode achieves 3.2 μm.

  18. Health-enhancing doping controls

    DEFF Research Database (Denmark)

    Christiansen, Ask Vest

    2010-01-01

    Editorial published at International Network of Humanistic Doping Research (INHDR) website: http://www.doping.au.dk/en/online-resources/editorials/......Editorial published at International Network of Humanistic Doping Research (INHDR) website: http://www.doping.au.dk/en/online-resources/editorials/...

  19. 水杨酸分子印迹掺氮TiO2粉末的制备及在可见光下的选择性光催化研究%Preparation of salicylic acid molecularly imprinted and N-doped TiO2 powders and their selective photocatalytic activity under visible light

    Institute of Scientific and Technical Information of China (English)

    魏声培; 安娅; 秦好丽

    2016-01-01

    【目的】改善TiO2在可见光下对污染物的选择性降解能力。【方法】采用改进的分子印迹溶胶-凝胶技术,以尿素、水杨酸分别为氮源和模板分子,制备水杨酸分子印迹掺氮TiO2粉末。通过X射线衍射( XRD)、透射电镜( TEM)、紫外-可见光漫反射吸收光谱( UV-Vis DRS)和低温N2物理吸附-脱附( BET)等技术对制备样品进行表征。【结果】样品均为锐钛矿相,氮掺杂致使TiO2光吸收带边红移,分子印迹使TiO2具有了更为发达的孔结构和孔型,掺杂和分子印迹均有效地增大了比表面积。可见光下,与催化降解苯甲酸及甲基橙相比,分子印迹掺氮TiO2对水杨酸的选择性降解率较高,达96.0%。【结论】水杨酸分子印迹和氮掺杂有效地改善了TiO2的选择性和可见光活性。%Objective]To improve selective degradation ability of catalyst ( TiO2 ) under visible light.[Method]Salicylic acid molecularly imprinted and N-doped TiO2 powders were synthesized by an im-proved molecularly imprinted sol-gel technique using urea as a nitrogen ( N) source and salicylic acid as a template molecule. The samples were characterized by XRD, TEM, UV-Vis diffuse reflectance spectro-photometer and N2 adsorption-desorption.[Result]All samples were anatase. The red-shift of absorption band was caused by doping nitrogen to TiO2. The better-developed pore structure and pass were due to molecular imprinting technique, and the enlarged specific surface area was generated by N-doping and molecularly imprinting. Compared to benzoic acid and methyl orange, TiO2 selective photodegradation rate of salicylic acid (96. 0%) was higher under visible light using molecularly imprinting and N-doping.[Conclusion]The selectivity and visible-light photoactivity of TiO2 can be effectively improved using sali-cylic acid molecularly imprinting and N-doping.

  20. Density Functional Investigation of Graphene Doped with Amine-Based Organic Molecules

    OpenAIRE

    Yeun Hee Hwang; Hyang Sook Chun; Kang Min Ok; Kyung-Koo Lee; Kyungwon Kwak

    2015-01-01

    To improve the electronic properties of graphene, many doping techniques have been studied. Herein, we investigate the electronic and molecular structure of doped graphene using density functional theory, and we report the effects of amine-based benzene dopants adsorbed on graphene. Density functional theory (DFT) calculations were performed to determine the role of amine-based aromatic compounds in graphene doping. These organic molecules bind to graphene through long-range interactions such...

  1. Gene doping in sports.

    Science.gov (United States)

    Unal, Mehmet; Ozer Unal, Durisehvar

    2004-01-01

    Gene or cell doping is defined by the World Anti-Doping Agency (WADA) as "the non-therapeutic use of genes, genetic elements and/or cells that have the capacity to enhance athletic performance". New research in genetics and genomics will be used not only to diagnose and treat disease, but also to attempt to enhance human performance. In recent years, gene therapy has shown progress and positive results that have highlighted the potential misuse of this technology and the debate of 'gene doping'. Gene therapies developed for the treatment of diseases such as anaemia (the gene for erythropoietin), muscular dystrophy (the gene for insulin-like growth factor-1) and peripheral vascular diseases (the gene for vascular endothelial growth factor) are potential doping methods. With progress in gene technology, many other genes with this potential will be discovered. For this reason, it is important to develop timely legal regulations and to research the field of gene doping in order to develop methods of detection. To protect the health of athletes and to ensure equal competitive conditions, the International Olympic Committee, WADA and International Sports Federations have accepted performance-enhancing substances and methods as being doping, and have forbidden them. Nevertheless, the desire to win causes athletes to misuse these drugs and methods. This paper reviews the current status of gene doping and candidate performance enhancement genes, and also the use of gene therapy in sports medicine and ethics of genetic enhancement.

  2. Doping and Fair Play

    OpenAIRE

    Nicolas Eber

    2009-01-01

    The conventional approach to the economic analysis of doping in sport is that athletes are typically involved in a Prisoner’s Dilemma-type interaction (Breivik 1987, Bird and Wagner 1997, Eber and Thépot 1999, Haugen 2004).1 The idea is straightforward: doping being a dominant strategy (i.e., yielding a preferred outcome regardless of the strategy used by the competitor), each athlete finds it optimal to take drugs; this results in a situation of generalized doping although each athlete would...

  3. Isoelectronic co-doping

    Science.gov (United States)

    Mascarenhas, Angelo

    2004-11-09

    Isoelectronic co-doping of semiconductor compounds and alloys with deep acceptors and deep donors is used to decrease bandgap, to increase concentration of the dopant constituents in the resulting alloys, and to increase carrier mobilities lifetimes. Group III-V compounds and alloys, such as GaAs and GaP, are isoelectronically co-doped with, for example, N and Bi, to customize solar cells, thermal voltaic cells, light emitting diodes, photodetectors, and lasers on GaP, InP, GaAs, Ge, and Si substrates. Isoelectronically co-doped Group II-VI compounds and alloys are also included.

  4. Physicochemical properties of phosphoric acid doped polybenzimidazole membranes for fuel cells

    DEFF Research Database (Denmark)

    He, Ronghuan; Li, Qingfeng; Bach, Anders;

    2006-01-01

    Polybenzimidazole (PBI) membranes have been prepared with different molecular weights. The water and acid swelling, mechanical strength,gas permeability and proton conductivity were studied for the pristine and acid doped PBI membranes. When doped with 5 mol of phosphoric acid per mole repeat uni...

  5. Electronic Transport Properties of Doped C28 Fullerene

    Directory of Open Access Journals (Sweden)

    Akshu Pahuja

    2014-01-01

    Full Text Available Endohedral doping of small fullerenes like C28 affects their electronic structure and increases their stability. The transport properties of Li@C28 sandwiched between two gold surfaces have been calculated using first-principles density functional theory and nonequilibrium Green’s function formalism. The transmission curves, IV characteristics, and molecular projected self-consistent Hamiltonian eigenstates of both pristine and doped molecule are computed. The current across the junction is found to decrease upon Li encapsulation, which can be attributed to change in alignment of molecular energy levels with bias voltage.

  6. [Doping: effectiveness, consequences, prevention].

    Science.gov (United States)

    Guezennec, C Y

    2001-02-01

    The use of doping is linked with the history of sports. Doping abuse escalated until the mid sixties when government and sports authorities responded with antidoping laws and drug testing. Today, the details of substances detected in controls give a good indication on the importance of doping use. Three classes of pharmaceuticals account for most of the positive controls. They are anabolic steroids, stimulants and narcotics. Their use can be related with the goal of the athletes. Anabolic steroids are mainly used in sports such as bodybuilding or weight lifting in order to develop strength. Stimulants are used in sports were speed favors performance. All the products that enhance blood oxygen transportation are used in endurance sports, their efficacy is not scientifically demonstrated, but their use does result in real risks. Several studies have evidenced the medical problems resulting from prolonged doping. Doping control is impaired by the fact that many products now used, e.g. EPO or rhGH, are not detectable. Regular medical examination of athletes could help prevent use of doping.

  7. Structure and functionality of bromine doped graphite.

    Science.gov (United States)

    Hamdan, Rashid; Kemper, A F; Cao, Chao; Cheng, H P

    2013-04-28

    First-principles calculations are used to study the enhanced in-plane conductivity observed experimentally in Br-doped graphite, and to study the effect of external stress on the structure and functionality of such systems. The model used in the numerical calculations is that of stage two doped graphite. The band structure near the Fermi surface of the doped systems with different bromine concentrations is compared to that of pure graphite, and the charge transfer between carbon and bromine atoms is analyzed to understand the conductivity change along different high symmetry directions. Our calculations show that, for large interlayer separation between doped graphite layers, bromine is stable in the molecular form (Br2). However, with increased compression (decreased layer-layer separation) Br2 molecules tend to dissociate. While in both forms, bromine is an electron acceptor. The charge exchange between the graphite layers and Br atoms is higher than that with Br2 molecules. Electron transfer to the Br atoms increases the number of hole carriers in the graphite sheets, resulting in an increase of conductivity.

  8. Doping of single-walled carbon nanotubes controlled via chemical transformation of encapsulated nickelocene

    Science.gov (United States)

    Kharlamova, Marianna V.; Sauer, Markus; Saito, Takeshi; Sato, Yuta; Suenaga, Kazu; Pichler, Thomas; Shiozawa, Hidetsugu

    2015-01-01

    Controlled doping of carbon nanotubes is elemental for their electronic applications. Here we report an approach to tune the polarity and degree of doping of single-walled carbon nanotubes via filling with nickelocene followed by encapsulated reactions. Using Raman, photoemission spectroscopy and transmission electron microscopy, we show that nickelocene molecules transform into nickel carbides, nickel and inner carbon nanotubes with reaction temperatures as low as 250 °C. The doping efficiency is determined for each chemical component. Synchronous charge transfer among the molecular components allows bipolar doping of the carbon nanotubes to be achieved in a broad range of +/-0.0012 e- per carbon.

  9. Te-doping of self-catalyzed GaAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Suomalainen, S., E-mail: soile.suomalainen@tut.fi; Hakkarainen, T. V.; Salminen, T.; Koskinen, R.; Guina, Mircea [Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere (Finland); Honkanen, M. [Department of Material Science, Tampere University of Technology, FI-33101 Tampere (Finland); Luna, E. [Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5-7, 10117 Berlin (Germany)

    2015-07-06

    Tellurium (Te)-doping of self-catalyzed GaAs nanowires (NWs) grown by molecular beam epitaxy is reported. The effect of Te-doping on the morphological and crystal structure of the NWs is investigated by scanning electron microscopy and high-resolution transmission electron microscopy. The study reveals that the lateral growth rate increases and axial growth rate decreases with increasing Te doping level. The changes in the NW morphology can be reverted to some extent by changing the growth temperature. At high doping levels, formation of twinning superlattice is observed alongside with the (111)-facetted sidewalls. Finally, the incorporation of Te is confirmed by Raman spectroscopy.

  10. Sanctions for doping in sport

    Directory of Open Access Journals (Sweden)

    Mandarić Sanja

    2014-01-01

    Full Text Available Top-level sport imposes new and more demanding physical and psychological pressures, and the desire for competing, winning and selfassertion leads athletes into temptation to use prohibited substances in order to achieve the best possible results. Regardless of the fact that the adverse consequences of prohibited substances are well-known, prestige and the need to dominate sports arenas have led to their use in sports. Doping is one of the biggest issues in sport today, and the fight against it is a strategic objective on both global and national levels. World Anti-Doping Agency, the International Olympic Committee, international sports federations, national anti-doping agencies, national sports federations, as well as governments and their repressive apparatuses are all involved in the fight against doping in sport. This paper points to a different etymology and phenomenology of doping, the beginnings of doping in sport, sports doping scandals as well as the most important international instruments regulating this issue. Also, there is a special reference in this paper to the criminal and misdemeanor sanctions for doping in sport. In Serbia doping in sport is prohibited by the Law on Prevention of Doping in Sports which came into force in 2005 and which prescribes the measures and activities aimed at prevention of doping in sport. In this context, the law provides for the following three criminal offenses: use of doping substances, facilitating the use of doping substances, and unauthorized production and putting on traffic of doping substances. In addition, aiming at curbing the abuse of doping this law also provides for two violations. More frequent and repetitive doping scandals indicate that doping despite long-standing sanctions is still present in sports, which suggests that sanctions alone have not given satisfactory results so far.

  11. The thermal conductivity and thermal rectification in graphene nanoribbons with geometric variations of doped boron:A molecular dynamics study%不同硼掺杂几何形态下石墨烯纳米带热导率与热整流的分子动力学研究

    Institute of Scientific and Technical Information of China (English)

    黄希; 袁莉; 史经辉

    2014-01-01

    通过非平衡态分子动力学方法,研究了锯齿形石墨烯纳米带中掺杂原子硼的两种不同位置排列(三角形硼掺杂和平行硼掺杂)对热导率和热整流的影响并从理论上分析了其变化的原因。研究表明这两种硼掺杂模型在不同温度下导致石墨烯纳米带热导率大约54%-63%的下降;同时发现平行硼掺杂结构对热传递的抑制作用强于三角形硼掺杂结构;硼掺杂结构降低热导率的作用随着温度的升高逐渐减小;三角形硼掺杂结构两个方向上的热导率值具有较大差异,这种结构下的热整流随着温度的上升呈现减弱的趋势;而平行硼掺杂结构两个方向上的热导率值近乎相等,热整流现象表现不明显。%We investigated the thermal conductivity and thermal rectification of graphene nanoribbons with geo-metric variations by using classical molecular dynamics simulation, and analyzed theoretically the cause of the changes of thermal conductivity and thermal rectification.Two different structural models about boron-doped gra-phene nanoribbons were constructed by considering boron atomic arrangement:triangular single-boron-doped gra-phene nanoribbons, prarllel various-boron-doped graphene nanoribbons.It indicates that the thermal conductivi-ties of the above two different models are about 54%-63% lower than those of the pristine graphene nanorib-bons.And it was also found that the parallel boron-doped graphene nanoribbons are inhibited more strongly on the heat transfer than that of triangular boron-doped graphene nanoribbons.The reduction effect in the thermal conductivities of two different models gradually decreases with the increasing temperatures.The thermal conduc-tivities of triangular boron-doped graphene nanoribbons have a large difference in both directions, and the ther-mal rectification of this structure shows the downward trend with increasing temperature.However, the thermal conductivities

  12. Computational Studies of Magnetically Doped Semiconductor Nanoclusters

    Science.gov (United States)

    Gutsev, Lavrenty Gennady

    Spin-polarized unrestricted density functional theory is used to calculate the molecular properties of magnetic semiconductor quantum dots doped with 3d-metal atoms. We calculate total energies of the low spin antiferromagnetically coupled states using a spin-flipping algorithm leading to the broken-symmetry states. Given the novel nature of the materials studied, we simulate experimental observables such as hyperfine couplings, ionization/ energies, electron affinities, first and second order polarizabilities, band gaps and exchange coupling constants. Specifically, we begin our investigation with pure clusters of (CdSe )16 and demonstrate the dependence of molecular observables on geometrical structures. We also show that the many isomers of this cluster are energetically quite closely spaced, and thus it would be necessary to employ a battery of tests to experimentally distinguish them. Next, we discuss Mn-doping into the cage (CdSe)9 cluster as well as the zinc-blende stacking type cluster (CdSe)36. We show that the local exchange coupling mechanism is ligand-mediated superexchange and simulate the isotropic hyperfine constants. Finally, we discuss a novel study where (CdSe)9 is doped with Mn or Fe up to a full replacement of all the Cd's and discuss the transition points for the magnetic behavior and specifically the greatly differing band-gap shifts. We also outline an unexpected pattern in the polarizability of the material as metals are added and compare our results with the results from theoretical studies of the bulk material.

  13. Nanocrystal diffusion doping.

    Science.gov (United States)

    Vlaskin, Vladimir A; Barrows, Charles J; Erickson, Christian S; Gamelin, Daniel R

    2013-09-25

    A diffusion-based synthesis of doped colloidal semiconductor nanocrystals is demonstrated. This approach involves thermodynamically controlled addition of both impurity cations and host anions to preformed seed nanocrystals under equilibrium conditions, rather than kinetically controlled doping during growth. This chemistry allows thermodynamic crystal compositions to be prepared without sacrificing other kinetically trapped properties such as shape, size, or crystallographic phase. This doping chemistry thus shares some similarities with cation-exchange reactions, but proceeds without the loss of host cations and excels at the introduction of relatively unreactive impurity ions that have not been previously accessible using cation exchange. Specifically, we demonstrate the preparation of Cd(1-x)Mn(x)Se (0 ≤ x ≤ ∼0.2) nanocrystals with narrow size distribution, unprecedentedly high Mn(2+) content, and very large magneto-optical effects by diffusion of Mn(2+) into seed CdSe nanocrystals grown by hot injection. Controlling the solution and lattice chemical potentials of Cd(2+) and Mn(2+) allows Mn(2+) diffusion into the internal volumes of the CdSe nanocrystals with negligible Ostwald ripening, while retaining the crystallographic phase (wurtzite or zinc blende), shape anisotropy, and ensemble size uniformity of the seed nanocrystals. Experimental results for diffusion doping of other nanocrystals with other cations are also presented that indicate this method may be generalized, providing access to a variety of new doped semiconductor nanostructures not previously attainable by kinetic routes or cation exchange.

  14. Theoretical and experimental investigation of stability and spectra of doped Ag:ZnSe nanocrystals.

    Science.gov (United States)

    Xu, Shuhong; Wang, Chunlei; Wang, Zhuyuan; Cui, Yiping

    2014-04-01

    In experiment, doped Ag:ZnSe nanocrystals (NCs) had better stability than that of ZnSe nanocrystals under ambient atmospheres in the presence of air and light illumination. However, it is difficult to explain the mechanism of better stability of Ag:ZnSe nanocrystals from the experiment perspective for doped nanocrystals are more unstable than corresponding pure nanocrystals in general. Using B3LYP/LANL2DZ method, we have investigated the geometrical structures, bonding characters, and molecular orbitals (MOs) of hexagonal and tetrahedral Ag doped ZnSe structures in theory. The results showed that the good stability of Ag:ZnSe nanocrystals can be attributed to the stronger binding between Ag and Se. Moreover, we have proved that Ag doped ZnSe nanocrystals synthesized in experiment should be substituting doped but not vacuity doped. Substituting Ag doped ZnSe molecules have the same configuration as that of the ZnSe structure, but vacuity doped Ag:ZnSe have completely different configuration than ZnSe structure due to the big size of Ag atom. In addition, through contrast of MO of ZnSe and Ag doped ZnSe, we have testified that Ag easily formed bonds with Se. The high binding energy and high probability of forming bonds with Se atom make Ag doped ZnSe nanocrystals have better stability than that of ZnSe nanocrystals.

  15. Doped barium titanate nanoparticles

    Indian Academy of Sciences (India)

    T K Kundu; A Jana; P Barik

    2008-06-01

    We have synthesized nickel (Ni) and iron (Fe) ion doped BaTiO3 nanoparticles through a chemical route using polyvinyl alcohol (PVA). The concentration of dopant varies from 0 to 2 mole% in the specimens. The results from X-ray diffractograms and transmission electron micrographs show that the particle diameters in the specimen lie in the range 24–40 nm. It is seen that the dielectric permittivity in doped specimens is enhanced by an order of magnitude compared to undoped barium titanate ceramics. The dielectric permittivity shows maxima at 0.3 mole% doping of Fe ion and 0.6 mole% of Ni ion. The unusual dielectric behaviour of the specimens is explained in terms of the change in crystalline structure of the specimens.

  16. Influence of delta-doping on the hole capture probability in Ge/Si quantum dot mid-infrared photodetectors.

    Science.gov (United States)

    Yakimov, Andrew; Kirienko, Victor; Timofeev, Vyacheslav; Bloshkin, Aleksei; Dvurechenskii, Anatolii

    2014-01-01

    We study the effect of delta-doping on the hole capture probability in ten-period p-type Ge quantum dot photodetectors. The boron concentration in the delta-doping layers is varied by either passivation of a sample in a hydrogen plasma or by direct doping during the molecular beam epitaxy. The devices with a lower doping density is found to exhibit a lower capture probability and a higher photoconductive gain. The most pronounced change in the trapping characteristics upon doping is observed at a negative bias polarity when the photoexcited holes move toward the δ-doping plane. The latter result implies that the δ-doping layers are directly involved in the processes of hole capture by the quantum dots.

  17. Doped zinc oxide microspheres

    Science.gov (United States)

    Arnold, Jr., Wesley D.; Bond, Walter D.; Lauf, Robert J.

    1993-01-01

    A new composition and method of making same for a doped zinc oxide microsphere and articles made therefrom for use in an electrical surge arrestor which has increased solid content, uniform grain size and is in the form of a gel.

  18. BLOOD DOPING AND RISKS

    Directory of Open Access Journals (Sweden)

    Goran Vasić

    2015-05-01

    Full Text Available Doping is the way in which athletes misuse of chemicals and other types of medical interventions (eg, blood replacement, try to get ahead in the results of other athletes or their performance at the expense of their own health. The aim of this work is the analysis of blood doping and the display of negative consequences that this way of increasing capabilities brings. Method: The methodological work is done descriptively. Results: Even in 1972 at the Stockholm Institute for gymnastics and sport, first Dr. Bjorn Ekblom started having blood doping. Taken from the blood, athletes through centifuge separating red blood cells from blood plasma, which is after a month of storage in the fridge, every athlete back into the bloodstream. Tests aerobic capacity thereafter showed that the concerned athletes can run longer on average for 25% of the treadmill than before. Discussion: Blood doping carries with it serious risks, excessive amount of red cells “thickens the blood,” increased hematocrit, which reduces the heart’s ability to pump blood to the periphery. All this makes it difficult for blood to flow through blood vessels, and there is a great danger that comes to a halt in the circulation, which can cause cardiac arrest, stroke, pulmonary edema, and other complications that can be fatal.

  19. Role Models on Dope

    DEFF Research Database (Denmark)

    Christiansen, Ask Vest; Gleaves, John

    2014-01-01

    Compared to football-players cyclists are virtuous role models. Yes, Lance Armstrong, Michael Rasmussen and other riders have doped, and because of this they have received the predicate as the most immoral athletes in the sporting world. But if morality is not only a question of whether a person...

  20. Dope, Fiends, and Myths.

    Science.gov (United States)

    Reasons, Charles E.

    Since the social reality of the drug problem has largely emanated from the diffuse conceptions of the drug user, an analysis of the history of the "dope fiend" mythology is presented in this paper in an attempt to assess the manner in which certain publics are informed about the problem. A content analysis of drug-related imagery was made from…

  1. Doped spin ladders under magnetic field; Echelles de spins dopees sous champ magnetique

    Energy Technology Data Exchange (ETDEWEB)

    Roux, G

    2007-07-15

    This thesis deals with the physics of doped two-leg ladders which are a quasi one-dimensional and unconventional superconductor. We particularly focus on the properties under magnetic field. Models for strongly correlated electrons on ladders are studied using exact diagonalization and density-matrix renormalization group (DMRG). Results are also enlightened by using the bosonization technique. Taking into account a ring exchange it highlights the relation between the pairing of holes and the spin gap. Its influence on the dynamics of the magnetic fluctuations is also tackled. Afterwards, these excitations are probed by the magnetic field by coupling it to the spin degree of freedom of the electrons through Zeeman effect. We show the existence of doping-dependent magnetization plateaus and also the presence of an inhomogeneous superconducting phase (FFLO phase) associated with an exceeding of the Pauli limit. When a flux passes through the ladder, the magnetic field couples to the charge degree of freedom of the electrons via orbital effect. The diamagnetic response of the doped ladder probes the commensurate phases of the t-J model at low J/t. Algebraic transverse current fluctuations are also found once the field is turned on. Lastly, we report numerical evidences of a molecular superfluid phase in the 3/2-spin attractive Hubbard model: at a density low enough, bound states of four fermions, called quartets, acquire dominant superfluid fluctuations. The observed competition between the superfluid and density fluctuations is connected to the physics of doped ladders. (author)

  2. Versatile and Tunable Transparent Conducting Electrodes Based on Doped Graphene

    KAUST Repository

    Mansour, Ahmed E.

    2016-11-25

    The continued growth of the optoelectronics industry and the emergence of wearable and flexible electronics will continue to place an ever increasing pressure on replacing ITO, the most widely used transparent conducting electrode (TCE). Among the various candidates, graphene shows the highest optical transmittance in addition to promising electrical transport properties. The currently available large-scale synthesis routes of graphene result in polycrystalline samples rife with grain boundaries and other defects which limit its transport properties. Chemical doping of graphene is a viable route towards increasing its conductivity and tuning its work function. However, dopants are typically present at the surface of the graphene sheet, making them highly susceptible to degradation in environmental conditions. Few-layers graphene (FLG) is a more resilient form of graphene exhibiting higher conductivity and performance stability under stretching and bending as contrasted to single-layer graphene. In addition FLG presents the advantage of being amenable bulk doping by intercalation. Herein, we explore non-covalent doping routes of CVD FLG, such as surface doping, intercalation and combination thereof, through in-depth and systematic characterization of the electrical transport properties and energy levels shifts. The intercalation of FLG with Br2 and FeCl3 is demonstrated, showing the highest improvements of the figure of merit of TCEs of any doping scheme, which results from up to a five-fold increase in conductivity while maintaining the transmittance within 3% of that for the pristine value. Importantly the intercalation yields TCEs that are air-stable, due to encapsulation of the intercalant in the bulk of FLG. Surface doping with novel solution-processed metal-organic molecular species (n- and p-type) is demonstrated with an unprecedented range of work function modulation, resulting from electron transfer and the formation of molecular surface dipoles. However

  3. Adsorption of sugars on Al- and Ga-doped boron nitride surfaces: A computational study

    Energy Technology Data Exchange (ETDEWEB)

    Darwish, Ahmed A. [Center for Nanotechnology, Zewail City of Science and Technology, Giza 12588 (Egypt); Department of Nuclear and Radiation Engineering, Faculty of Engineering, Alexandria University, Alexandria (Egypt); Fadlallah, Mohamed M. [Center for Fundamental Physics, Zewail City of Science and Technology, Giza 12588 (Egypt); Department of Physics, Faculty of Science, Benha University, Benha (Egypt); Badawi, Ashraf [Center for Nanotechnology, Zewail City of Science and Technology, Giza 12588 (Egypt); Maarouf, Ahmed A., E-mail: ahmed.maarouf@egnc.gov.eg [Center for Fundamental Physics, Zewail City of Science and Technology, Giza 12588 (Egypt); Egypt Nanotechnology Center & Department of Physics, Faculty of Science, Cairo University, Giza 12613 (Egypt)

    2016-07-30

    Highlights: • Doping boron nitride sheets with aluminum or gallium atoms significantly enhances their molecular adsorption properties. • Adsorption of glucose or glucosamine on Al- and Ga-doped boron nitride sheets changes the band gap. • Doping concentration changes the bad gap, but has a minor effect on the adsorption energy. - Abstract: Molecular adsorption on surfaces is a key element for many applications, including sensing and catalysis. Non-invasive sugar sensing has been an active area of research due to its importance to diabetes care. The adsorption of sugars on a template surface study is at the heart of matter. Here, we study doped hexagonal boron nitride sheets (h-BNNs) as adsorbing and sensing template for glucose and glucosamine. Using first principles calculations, we find that the adsorption of glucose and glucosamine on h-BNNs is significantly enhanced by the substitutional doping of the sheet with Al and Ga. Including long range van der Waals corrections gives adsorption energies of about 2 eV. In addition to the charge transfer occurring between glucose and the Al/Ga-doped BN sheets, the adsorption alters the size of the band gap, allowing for optical detection of adsorption. We also find that Al-doped boron nitride sheet is better than Ga-doped boron nitride sheet to enhance the adsorption energy of glucose and glucosamine. The results of our work can be potentially utilized when designing support templates for glucose and glucosamine.

  4. Density Functional Investigation of Graphene Doped with Amine-Based Organic Molecules

    Directory of Open Access Journals (Sweden)

    Yeun Hee Hwang

    2015-01-01

    Full Text Available To improve the electronic properties of graphene, many doping techniques have been studied. Herein, we investigate the electronic and molecular structure of doped graphene using density functional theory, and we report the effects of amine-based benzene dopants adsorbed on graphene. Density functional theory (DFT calculations were performed to determine the role of amine-based aromatic compounds in graphene doping. These organic molecules bind to graphene through long-range interactions such as π-π interactions and C-H⋯π hydrogen bonding. We compared the electronic structures of pristine graphene and doped graphene to understand the electronic structure of doped graphene at the molecular level. Also, work functions of doped graphene were obtained from electrostatic potential calculations. A decrease in the work function was observed when the amine-based organic compounds were adsorbed onto graphene. Because these systems are based on physisorption, there was no obvious band structure change at point K at the Fermi level after doping. However, the amine-based organic dopants did change the absolute Fermi energy levels. In this study, we showed that the Fermi levels of the doped graphene were affected by the HOMO energy level of the dopants and by the intermolecular charge transfer between the adsorbed molecules and graphene.

  5. Molecular beam epitaxy

    CERN Document Server

    Pamplin, Brian R

    1980-01-01

    Molecular Beam Epitaxy introduces the reader to the use of molecular beam epitaxy (MBE) in the generation of III-V and IV-VI compounds and alloys and describes the semiconductor and integrated optics reasons for using the technique. Topics covered include semiconductor superlattices by MBE; design considerations for MBE systems; periodic doping structure in gallium arsenide (GaAs); nonstoichiometry and carrier concentration control in MBE of compound semiconductors; and MBE techniques for IV-VI optoelectronic devices. The use of MBE to fabricate integrated optical devices and to study semicond

  6. Fitness Doping and Body Management

    DEFF Research Database (Denmark)

    Thualagant, Nicole

    This PhD thesis examines in a first paper the conceptualization of fitness doping and its current limitations. Based on a review of studies on bodywork and fitness doping it is emphasised that the definition of doping does not provide insights into bodywork of both men and women. Moreover......, it is argued that the social and a cultural context are missing in the many epidemiological studies on the prevalence of doping. The second paper explores the difficulties of implementing an anti-doping policy, which was originally formulated in an elite sport context, in a fitness context and more...... specifically in a sport-for-all context. It is questioned whether the anti-doping policy contradicts some of the national sport-for-all organisation, DGI’s values of fostering fellowship, challenge and health. Last but not least, this thesis examines in a third paper the bodywork of the users’ of the club...

  7. [Doping and urologic tumors].

    Science.gov (United States)

    Pinto, F; Sacco, E; Volpe, A; Gardi, M; Totaro, A; Calarco, A; Racioppi, M; Gulino, G; D'Addessi, A; Bassi, P F

    2010-01-01

    Several substances such as growth hormone (GH), erythropoietin (Epo), and anabolic steroids (AS) are improperly utilized to increase the performance of athletes. Evaluating the potential cancer risk associated with doping agents is difficult since these drugs are often used at very high doses and in combination with other licit or illicit drugs. The GH, via its mediator, the insulin-like growth factor 1 (IGF-1), is involved in the development and progression of cancer. Animal studies suggested that high levels of GH/IGF-1 increase progression of androgen-independent prostate cancer. Clinical data regarding prostate cancer are mostly based on epidemiological studies or indirect data such as IGF-1 high levels in patients with prostate cancer. Even if experimental studies showed a correlation between Epo and cancer, no clinical data are currently available on cancer development related to Epo as a doping agent. Androgens are involved in prostate carcinogenesis modulating genes that regulate cell proliferation, apoptosis and angiogenesis. Most information on AS is anecdotal (case reports on prostate, kidney and testicular cancers). Prospective epidemiologic studies failed to support the hypothesis that circulating androgens are positively associated with prostate cancer risk. Currently, clinical and epidemiological studies supporting association between doping and urological neoplasias are not available. Nowadays, exposure to doping agents starts more prematurely with a consequent longer exposition period; drugs are often used at very high doses and in combination with other licit or illicit drugs. Due to all these elements it is impossible to predict all the side effects, including cancer; more detailed studies are therefore necessary.

  8. Doping and Public Health

    DEFF Research Database (Denmark)

    Christiansen, Ask Vest

    rad av världens främsta idrottsvetare och dopningsexperter hade mött upp för att presentera papers till en intresserad och engagerad publik. Temat för konferensen var "Doping and Public Health", och den aspekten behandlades också; dock tolkade flera presentatörer temat på sina egna vis, och hela...

  9. Doped Chiral Polymer Metamaterials Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Doped Chiral Polymer Metamaterials (DCPM) with tunable resonance frequencies have been developed by adding plasmonic inclusions into chiral polymers with variable...

  10. The synthesis of Co-doped SAPO-5 molecular sieve and its performance in the oxidation of cyclohexane with molecular oxygen%Co掺杂SAPO-5分子筛制备及其催化氧气氧化环己烷反应性能

    Institute of Scientific and Technical Information of China (English)

    校准; 詹望成; 郭耘; 郭杨龙; 龚学庆; 卢冠忠

    2016-01-01

    的稳定性.本文以传统均相Co盐催化剂的多相化为出发点,制备了Co掺杂SAPO-5与分子筛催化剂(Co-SAPO-5),考察了Co掺杂量对催化剂结构、表面性质以及氧气选择性氧化环己烷反应性能的影响.结果表明,一部分Co进入分子筛骨架,同时有少量Co以氧化钴形式高度分散在SAPO-5表面. Co掺杂对SAOP-5催化剂比表面积没有显著影响,但可使其孔体积减小.相反, Co掺杂可以提高SAOP-5分子筛表面B酸性位数量和总酸量.活性测试结果表明,环己烷转化率随着Co-SAPO-5催化剂中Co含量的增加而增加,但KA油选择性在转化率高于6.3%时急剧下降.还考察了反应温度、反应时间、初始氧气压力和催化剂用量对Co-SAPO-5分子筛催化剂性能的影响,得到了最优反应条件.以Co-SAPO-5-0.2(Co/Si摩尔比为0.2)分子筛为催化剂时, KA油总收率最高可达7.8%.另外, Co-SAPO-5催化剂在环己烷氧化反应中显示出很好的稳定性, Co-SAPO-5-0.2催化剂套用6次后活性几乎没有变化.%Silicoaluminophosphate (SAPO) molecular sieves doped with cobalt (Co‐SAPO‐5) were synthesized hydrothermally with different concentrations of Co. Each sample was characterized by X‐ray dif‐fraction, N2 adsorption‐desorption, scanning electron microscopy, ultraviolet‐visible spectroscopy, temperature‐programmed desorption of NH3 (NH3‐TPD), and infrared spectrascopy of adsorbed pyridine (Py‐IR). The results showed that Co was highly dispersed in the Co‐SAPO‐5 samples. In addition, a part of the Co content had been incorporated into the SAPO‐5 framework, while the remainder existed on the surface as extra‐framework Co. The surface areas of the Co‐SAOP‐5 sam‐ples were similar to the SAPO‐5 sample. However, the pore volumes of the Co‐SAOP‐5 samples were lower than that of the SAOP‐5 sample. As the concentration of Co increased, the pore volume gradu‐ally decreased

  11. Multicolored Polyanilines Doped by Different Acid Dyes and Their Electrochromic Property

    Directory of Open Access Journals (Sweden)

    Li Xin

    2016-01-01

    Full Text Available Multicolored polyanilines (PANIs are synthesized by using different acid dyes containing sulfonic acid group as the functional dopant. It is found that the FTIR spectra of the acid dye doped PANI and pure PANI are similar with each other, which are all doped state PANI, and the new arising peaks indicate the acid dyes existing in the PANI molecular. The UV-Visible spectra show that the different acid dye doped PANI present different colors as the effect of the chromophore of the acid dye. From the CV curves, it is clear that all the acid dye doped PANIs exist two pairs of oxidation and reduction peaks with vivid reversibly multicolor changes from light color (-0.5~0V to dark color (0~0.8V. It is shown that acid dye doping is an effective method to broaden the color change range of the electrochromic mateials.

  12. Formation of aligned CrN nanoclusters in Cr-delta-doped GaN

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Y K; Kimura, S; Emura, S; Hasegawa, S; Asahi, H [Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan)], E-mail: zhou21@sanken.osaka-u.ac.jp

    2009-02-11

    Cr-delta-doped GaN layers were grown by radio-frequency plasma-assisted molecular-beam epitaxy on GaN template substrates. Cr flux was supplied without nitrogen flow during Cr-delta-doping. Cr incorporation into a narrow thin layer region was confirmed with the depth profile measured by secondary ion mass spectrometry. Structural properties and Cr atom alignments were studied with transmission electron microscopy. It was found that Cr-delta-doped GaN layers were coherently grown with Cr or CrGa nanoclusters in the delta-doped region for low temperature growth (350, 500 deg. C). It was also found that aligned CrN nanoclusters (approximately 5 nm vertical thickness) with NaCl-type structure were formed in the delta-doped region for the growth at 700 deg. C.

  13. Effect of silver nanoparticles on the dielectric properties of holmium doped silica glass

    Energy Technology Data Exchange (ETDEWEB)

    Rejikumar, P.R.; Jyothy, P.V. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam, Kerala 686560 (India); Mathew, Siby [Department of Physics, S.H. College, Thevara, Cochin, Kerala 682013 (India); Thomas, Vinoy [Department of Physics, Christian College, Chengannur, Kerala 689122 (India); Unnikrishnan, N.V., E-mail: nvu50@yahoo.co.i [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam, Kerala 686560 (India)

    2010-03-15

    The effect of silver nanoparticle co-doping on the dielectric properties of holmium doped silica glasses was studied. Silver nanoparticles of size between 20 and 22 nm were produced by the sol-gel technique. One of the samples showed an icosahedral morphology of the nanocrystal formed, along with spherical morphology. It was found that the tuning of the dielectric constant values could be accomplished by co-doping. The sample, with 1 wt% of Ho, had low dielectric constant values within the range 100 Hz-3 MHz due to the formation of quasi-molecular structures of holmium. This effect was evaded to some extent with silver co-doping as a result of the interdispersion of holmium complexes. Also it was found that the co-doping produced a higher dielectric loss which was calculated from the tan delta-log f graph. The Cole-Cole parameters and the Jonscher power law parameters were also calculated and are presented.

  14. Influence of nitrogen and magnesium doping on the properties of ZnO films

    Institute of Scientific and Technical Information of China (English)

    李东华; 陈晓航; 詹华瀚; 周颖慧; 康俊勇; 王惠琼; 周华; 李亚平; 黄政; 郑金成; 王嘉鸥; 钱海杰; 奎热西

    2016-01-01

    Undoped ZnO and doped ZnO films were deposited on the MgO(111) substrates using oxygen plasma-assisted molec-ular beam expitaxy. The orientations of the grown ZnO thin film were investigated by in situ refl ection high-energy electron diffraction and ex situ x-ray diffraction (XRD). The film roughness was measured by atomic force microscopy, which was correlated with the grain sizes determined by XRD. Synchrotron-based x-ray absorption spectroscopy was performed to study the doping effect on the electronic properties of the ZnO films, compared with density functional theory calculations. It is found that, nitrogen doping would hinder the growth of thin film, and generate the NO defect, while magnesium doping promotes the quality of nitrogen-doped ZnO films, inhibiting (N2)O production and increasing nitrogen content.

  15. Spin doping using transition metal phthalocyanine molecules

    Science.gov (United States)

    Atxabal, A.; Ribeiro, M.; Parui, S.; Urreta, L.; Sagasta, E.; Sun, X.; Llopis, R.; Casanova, F.; Hueso, L. E.

    2016-12-01

    Molecular spins have become key enablers for exploring magnetic interactions, quantum information processes and many-body effects in metals. Metal-organic molecules, in particular, let the spin state of the core metal ion to be modified according to its organic environment, allowing localized magnetic moments to emerge as functional entities with radically different properties from its simple atomic counterparts. Here, using and preserving the integrity of transition metal phthalocyanine high-spin complexes, we demonstrate the magnetic doping of gold thin films, effectively creating a new ground state. We demonstrate it by electrical transport measurements that are sensitive to the scattering of itinerant electrons with magnetic impurities, such as Kondo effect and weak antilocalization. Our work expands in a simple and powerful way the classes of materials that can be used as magnetic dopants, opening a new channel to couple the wide range of molecular properties with spin phenomena at a functional scale.

  16. Comparison of Soy Protein Dope with Yeast Protein Dope on the Rheological Properties

    OpenAIRE

    Hayakawa, Isao; Chang, Hung Min; Katoh, Tatsuo

    1984-01-01

    Rheological properties of isolated soybean protein dopes were compared with those of yeart protein dopes in order to find out their application and processing. The elastic properties of soybean protein dope were better than those of yeast protein dope prepared with high protein concentrates because the viscoelastic absorption of soybean protein dope was smaller than that of yeast protein dope and the capacity of water holding was higher than that of yeast protein dope. On the other hand, yeas...

  17. Carrier transport and charge transfer properties in coumarin-doped bulk-heterojunction materials

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, T.; Maeda, T.; Yamashita, K. [Graduate School of Science and Technology, Kyoto Institute of Technology, Kyoto 606-8585 (Japan); Yanagi, H. [Graduate School of Materials Science, Nara Institute of Science and Technology, Nara 630-0192 (Japan)

    2012-12-15

    We have investigated photovoltaic properties of organic solar cells using polymer-fullerene bulk-heterojunction films doped with coumarin dyes. Whereas the coumarin molecules used in this study had similar absorption bands, evident difference was observed in the open-circuit voltage as well as in the short-circuit current. In particular, the doping of coumarin 307 was found to cause a distinct enhancement in the open-circuit voltage. On the other hand, the doping of coumarin 30 gave a serious degradation in the device performance. These results were strongly associated with calculated molecular energies of the doped dyes, especially with the highest occupied molecular orbital energy. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Effects of Mg doping on optical and electrical properties of GaNAs multiple quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Shiraga, Masahiro; Nakai, Yuko; Hirashima, Tomohiko; Kittaka, Akinobu; Ebisu, Mari; Tsurumachi, Noriaki; Nakanishi, Shunsuke; Miyagawa, Hayato; Itoh, Hiroshi; Koshiba, Shyun [Faculty of Engineering, Kagawa University, 2217-20 Hayashi-cho, Takamatsu, Kagawa 761-0396 (Japan); Takahashi, Naoshi [Faculty of Education, Kagawa University, 1-1 Saiwai-cho, Takamatsu, Kagawa 760-8521 (Japan); Noda, Takeshi [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Ohmori, Masato [Toyota Technological Institute, 2-12-1 Hisakata, Tempaku-ku, Nagoya 468-8511 (Japan); Akiyama, Hidefumi [Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan)

    2011-02-15

    We have evaluated the effects of Mg doping on the optical and the electrical property of GaNAs/GaAs multiple quantum wells (MQWs) with high N composition (11{proportional_to}17%) grown by radio-frequency molecular beam epitaxy (RF-MBE). The results of Van der Pauw measurements revealed strong n-type conduction by Mg doping. The blue-shifts and enhanced intensities in photoluminescence by Mg doping suggest the type-II band structure of GaNAs/GaAs MQWs and carrier generation by interstitial Mg atoms. (copyright 2011 EILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Fullerene-doped porous glasses

    Science.gov (United States)

    Joshi, M. P.; Kukreja, L. M.; Rustagi, K. C.

    We report the doping of C60 in porous glass by diffusion in solution phase at room temperature. The presence of C60 in the doped porous glass was confirmed spectroscopically. We also report the changes in optical absorption spectrum and intensity-dependent transmission of 30 ns laser pulses at 527 nm in these materials.

  20. Fullerene-doped porous glasses

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, M.P. [Center for Adv. Technol., Indore (India). Nonlinear Optics Group; Kukreja, L.M. [Center for Adv. Technol., Indore (India). Nonlinear Optics Group; Rustagi, K.C. [Center for Adv. Technol., Indore (India). Nonlinear Optics Group

    1997-07-01

    We report the doping of C{sub 60} in porous glass by diffusion in solution phase at room temperature. The presence of C{sub 60} in the doped porous glass was confirmed spectroscopically. We also report the changes in optical absorption spectrum and intensity-dependent transmission of 30 ns laser pulses at 527 nm in these materials. (orig.)

  1. Neutron transmutation doped Ge bolometers

    Science.gov (United States)

    Haller, E. E.; Kreysa, E.; Palaio, N. P.; Richards, P. L.; Rodder, M.

    1983-01-01

    Some conclusions reached are as follow. Neutron Transmutation Doping (NTD) of high quality Ge single crystals provides perfect control of doping concentration and uniformity. The resistivity can be tailored to any given bolometer operating temperature down to 0.1 K and probably lower. The excellent uniformity is advantaged for detector array development.

  2. Delta-Doped Back-Illuminated CMOS Imaging Arrays: Progress and Prospects

    Science.gov (United States)

    Hoenk, Michael E.; Jones, Todd J.; Dickie, Matthew R.; Greer, Frank; Cunningham, Thomas J.; Blazejewski, Edward; Nikzad, Shouleh

    2009-01-01

    In this paper, we report the latest results on our development of delta-doped, thinned, back-illuminated CMOS imaging arrays. As with charge-coupled devices, thinning and back-illumination are essential to the development of high performance CMOS imaging arrays. Problems with back surface passivation have emerged as critical to the prospects for incorporating CMOS imaging arrays into high performance scientific instruments, just as they did for CCDs over twenty years ago. In the early 1990's, JPL developed delta-doped CCDs, in which low temperature molecular beam epitaxy was used to form an ideal passivation layer on the silicon back surface. Comprising only a few nanometers of highly-doped epitaxial silicon, delta-doping achieves the stability and uniformity that are essential for high performance imaging and spectroscopy. Delta-doped CCDs were shown to have high, stable, and uniform quantum efficiency across the entire spectral range from the extreme ultraviolet through the near infrared. JPL has recently bump-bonded thinned, delta-doped CMOS imaging arrays to a CMOS readout, and demonstrated imaging. Delta-doped CMOS devices exhibit the high quantum efficiency that has become the standard for scientific-grade CCDs. Together with new circuit designs for low-noise readout currently under development, delta-doping expands the potential scientific applications of CMOS imaging arrays, and brings within reach important new capabilities, such as fast, high-sensitivity imaging with parallel readout and real-time signal processing. It remains to demonstrate manufacturability of delta-doped CMOS imaging arrays. To that end, JPL has acquired a new silicon MBE and ancillary equipment for delta-doping wafers up to 200mm in diameter, and is now developing processes for high-throughput, high yield delta-doping of fully-processed wafers with CCD and CMOS imaging devices.

  3. 2D Coherent Charge Transport in Highly Ordered Conducting Polymers Doped by Solid State Diffusion

    OpenAIRE

    Kang, Keehoon; Watanabe, Shun; Broch, Katharina; Sepe, Alessandro; Brown, Adam; Nasrallah, Iyad; Nikolka, Mark; Fei, Zhuping; Heeney, Martin; Matsumoto, Daisuke; Marumoto, Kazuhiro; Tanaka, Hisaaki; Kuroda, Shin-ichi; Sirringhaus, Henning

    2016-01-01

    This is the author accepted manuscript. It is currently under an indefinite embargo pending publication by the Nature Publishing Group. Doping is one of the most important methods to control charge carrier concentration in semiconductors. Ideally, the introduction of dopants should not perturb the ordered microstructure of the semiconducting host. In some systems, such as modulation-doped inorganic semiconductors or molecular charge transfer crystals, this can be achieved by spatially sepa...

  4. Effect of doping on TSD relaxation in cellulose acetate films

    Indian Academy of Sciences (India)

    P K Khare; P L Jain; R K Pandey

    2000-12-01

    Thermally stimulated depolarization current (TSDC) studies have been performed on solution grown cellulose acetate films doped with different concentrations of acrylic acid (AA) prepared at the poling temperatures (40–75°C) with poling fields (10–50 kV/cm). The TSDC spectra of pure and AA doped CA films reveal two relaxation peaks at 80°C and 180 ± 2°C, having activation energies centred around 0.25 and 0.55 eV. The phenomena of the existence of these current maxima have been analyzed and discussed in terms of the molecular motion of the polar side groups and release of the remaining part of the frozen dipoles by their cooperative motion with adjoining segments of the main polymer chain. The peak currents, released charge and activation energies associated with the peaks are affected by AA doping. The effect of doping with acrylic acid on the discharge current indicates the formation of molecular aggregates.

  5. Nitrogen doping in carbon nanotubes.

    Science.gov (United States)

    Ewels, C P; Glerup, M

    2005-09-01

    Nitrogen doping of single and multi-walled carbon nanotubes is of great interest both fundamentally, to explore the effect of dopants on quasi-1D electrical conductors, and for applications such as field emission tips, lithium storage, composites and nanoelectronic devices. We present an extensive review of the current state of the art in nitrogen doping of carbon nanotubes, including synthesis techniques, and comparison with nitrogen doped carbon thin films and azofullerenes. Nitrogen doping significantly alters nanotube morphology, leading to compartmentalised 'bamboo' nanotube structures. We review spectroscopic studies of nitrogen dopants using techniques such as X-ray photoemission spectroscopy, electron energy loss spectroscopy and Raman studies, and associated theoretical models. We discuss the role of nanotube curvature and chirality (notably whether the nanotubes are metallic or semiconducting), and the effect of doping on nanotube surface chemistry. Finally we review the effect of nitrogen on the transport properties of carbon nanotubes, notably its ability to induce negative differential resistance in semiconducting tubes.

  6. Doping of CdSe Nanocrystals

    Science.gov (United States)

    Jensen, John

    2003-10-01

    What happens to a nanocrystal when it is doped with electrons? We doped CdSe nanocrystals with potassium metal and sodium biphenyl, potassium and sodium acting as the charge carriers. In order to monitor the properties of the doped nanocrystals we used Electron Spin Resonance and luminescence techniques. In this poster we present findings and problems encountered in doping CdSe nanocrystals.

  7. Comparing the rheology of native spider and silkworm spinning dope

    Science.gov (United States)

    Holland, C.; Terry, A. E.; Porter, D.; Vollrath, F.

    2006-11-01

    Silk production has evolved to be energetically efficient and functionally optimized, yielding a material that can outperform most industrial fibres, particularly in toughness. Spider silk has hitherto defied all attempts at reproduction, despite advances in our understanding of the molecular mechanisms behind its superb mechanical properties. Spun fibres, natural and man-made, rely on the extrusion process to facilitate molecular orientation and bonding. Hence a full understanding of the flow characteristics of native spinning feedstock (dope) will be essential to translate natural spinning to artificial silk production. Here we show remarkable similarity between the rheologies for native spider-dragline and silkworm-cocoon silk, despite their independent evolution and substantial differences in protein structure. Surprisingly, both dopes behave like typical polymer melts. This observation opens the door to using polymer theory to clarify our general understanding of natural silks, despite the many specializations found in different animal species.

  8. Role of mesoscopic morphology in charge transport of doped polyaniline

    Indian Academy of Sciences (India)

    A K Mukherjee; Reghu Menon

    2002-02-01

    In doped polyaniline (PANI), the charge transport properties are determined by mesoscopic morphology, which in turn is controlled by the molecular recognition interactions among polymer chain, dopant and solvent. Molecular recognition plays a significant role in chain conformation and charge delocalization. The resistivity of PANI doped by camphor sulfonic acid (CSA)/2-acrylo-amido-1-propane sulfonic acid (AMPSA)/dodecyl benzene sulfonic acid (DBSA) is around 0.02 cm. PANI-CSA and PANI-AMPSA show a metallic positive temperature coefficient of resistivity above 150 K, with a finite value of conductivity at 1.4 K; whereas, PANI-DBSA shows hopping transport at low temperatures. The magnetoresistance is positive (negative) for PANI-CSA (PANIAMPSA); and PANI-DBSA has a large positive MR. The behavior of MR suggests subtle variations in mesoscopic morphology between PANI-CSA and PANI-AMPSA.

  9. Superconducting doped topological materials

    Energy Technology Data Exchange (ETDEWEB)

    Sasaki, Satoshi, E-mail: sasaki@sanken.osaka-u.ac.jp [Institute of Scientific and Industrial Research, Osaka University, Ibaraki, Osaka 567-0047 (Japan); Mizushima, Takeshi, E-mail: mizushima@mp.es.osaka-u.ac.jp [Department of Materials Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Department of Physics, Okayama University, Okayama 700-8530 (Japan)

    2015-07-15

    Highlights: • Studies on both normal- and SC-state properties of doped topological materials. • Odd-parity pairing systems with the time-reversal-invariance. • Robust superconductivity in the presence of nonmagnetic impurity scattering. • We propose experiments to identify the existence of Majorana fermions in these SCs. - Abstract: Recently, the search for Majorana fermions (MFs) has become one of the most important and exciting issues in condensed matter physics since such an exotic quasiparticle is expected to potentially give rise to unprecedented quantum phenomena whose functional properties will be used to develop future quantum technology. Theoretically, the MFs may reside in various types of topological superconductor materials that is characterized by the topologically protected gapless surface state which are essentially an Andreev bound state. Superconducting doped topological insulators and topological crystalline insulators are promising candidates to harbor the MFs. In this review, we discuss recent progress and understanding on the research of MFs based on time-reversal-invariant superconducting topological materials to deepen our understanding and have a better outlook on both the search for and realization of MFs in these systems. We also discuss some advantages of these bulk systems to realize MFs including remarkable superconducting robustness against nonmagnetic impurities.

  10. Doped semiconductor nanocrystal junctions

    Energy Technology Data Exchange (ETDEWEB)

    Borowik, Ł.; Mélin, T., E-mail: thierry.melin@isen.iemn.univ-lille1.fr [Institut d’Electronique, de Microélectronique et de Nanotechnologie, CNRS-UMR8520, Avenue Poincaré, F-59652 Villeneuve d’Ascq (France); Nguyen-Tran, T.; Roca i Cabarrocas, P. [Laboratoire de Physique des Interfaces et des Couches Minces, CNRS-UMR7647, Ecole Polytechnique, F-91128 Palaiseau (France)

    2013-11-28

    Semiconductor junctions are the basis of electronic and photovoltaic devices. Here, we investigate junctions formed from highly doped (N{sub D}≈10{sup 20}−10{sup 21}cm{sup −3}) silicon nanocrystals (NCs) in the 2–50 nm size range, using Kelvin probe force microscopy experiments with single charge sensitivity. We show that the charge transfer from doped NCs towards a two-dimensional layer experimentally follows a simple phenomenological law, corresponding to formation of an interface dipole linearly increasing with the NC diameter. This feature leads to analytically predictable junction properties down to quantum size regimes: NC depletion width independent of the NC size and varying as N{sub D}{sup −1/3}, and depleted charge linearly increasing with the NC diameter and varying as N{sub D}{sup 1/3}. We thus establish a “nanocrystal counterpart” of conventional semiconductor planar junctions, here however valid in regimes of strong electrostatic and quantum confinements.

  11. Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping

    KAUST Repository

    Begum, Raihana

    2016-12-17

    Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT). However, these types of studies on perovskite thin-film devices are impeded by the morphological and compositional heterogeneity of the films and their ill-defined surfaces. Here, we use well-defined ligand-protected perovskite nanocrystals (NCs) as model systems to elucidate the role of heterovalent doping on charge-carrier dynamics and energy level alignment at the interface of perovskite NCs with molecular acceptors. More specifically, we develop an in situ doping approach for colloidal CsPbBr3 perovskite NCs with heterovalent Bi3+ ions by hot injection to precisely tune their band structure and excited-state dynamics. This synthetic method allowed us to map the impact of doping on CT from the NCs to different molecular acceptors. Using time-resolved spectroscopy with broadband capability, we clearly demonstrate that CT at the interface of NCs can be tuned and promoted by metal ion doping. We found that doping increases the energy difference between states of the molecular acceptor and the donor moieties, subsequently facilitating the interfacial CT process. This work highlights the key variable components not only for promoting interfacial CT in perovskites, but also for establishing a higher degree of precision and control over the surface and the interface of perovskite molecular acceptors.

  12. Charge transfer and electronic doping in nitrogen-doped graphene

    National Research Council Canada - National Science Library

    Joucken, Frédéric; Tison, Yann; Le Fèvre, Patrick; Tejeda, Antonio; Taleb-Ibrahimi, Amina; Conrad, Edward; Repain, Vincent; Chacon, Cyril; Bellec, Amandine; Girard, Yann; Rousset, Sylvie; Ghijsen, Jacques; Sporken, Robert; Amara, Hakim; Ducastelle, François; Lagoute, Jérôme

    2015-01-01

    .... We present a study of nitrogen-doped graphene samples on SiC(000) combining angle-resolved photoelectron spectroscopy, scanning tunneling microscopy and spectroscopy and X-ray photoelectron spectroscopy (XPS...

  13. The Ethics of Doping and Anti-Doping

    DEFF Research Database (Denmark)

    Møller, Verner

    With every positive drugs test the credibility and veracity of modern elite sport is diminished. In this radical and provocative critique of current anti-doping policy and practice, Verner Møller argues that the fight against doping – promoted as an initiative to cleanse sport of cheats – is at h......With every positive drugs test the credibility and veracity of modern elite sport is diminished. In this radical and provocative critique of current anti-doping policy and practice, Verner Møller argues that the fight against doping – promoted as an initiative to cleanse sport of cheats....... It is important reading for all serious students and scholars of the ethics, sociology and politics of sport....

  14. Substitutionally doped phosphorene: electronic properties and gas sensing

    Science.gov (United States)

    Suvansinpan, Nawat; Hussain, Fayyaz; Zhang, Gang; Hsin Chiu, Cheng; Cai, Yongqing; Zhang, Yong-Wei

    2016-02-01

    Phosphorene, a new elemental two-dimensional material, has attracted increasing attention owing to its intriguing electronic properties. In particular, pristine phospohorene, due to its ultrahigh surface-volume ratio and high chemical activity, has been shown to be promising for gas sensing (Abbas et al 2015 ACS Nano 9 5618). To further enhance its sensing ability, we perform first-principles calculations based on density functional theory to study substitutionally doped phosphorene with 17 different atoms, focusing on structures, energetics, electronic properties and gas sensing. Our calculations reveal that anionic X (X = O, C and S) dopants have a large binding energy and highly dispersive electronic states, signifying the formation of covalent X-P bonds and thus strong structural stability. Alkali atom (Li and Na) doping is found to donate most of the electrons in the outer s-orbital by forming ionic bonds with P, and the band gap decreases by pushing down the conduction band, suggesting that the optical and electronic properties of the doped phosphorene can be tailored. For doping with VIIIB-group (Fe, Co and Ni) elements, a strong affinity is predicted and the binding energy and charge transfer are correlated strongly with their electronegativity. By examining NO molecule adsorption, we find that these metal doped phosphorenes (MDPs) in general exhibit a significantly enhanced chemical activity compared with pristine phosphorene. Our study suggests that substitutionally doped phosphorene shows many intriguing electronic and optic properties different from pristine phosphorene and MDPs are promising in chemical applications involving molecular adsorption and desorption processes, such as materials growth, catalysis, gas sensing and storage.

  15. Genetic Doping and Health Damages

    Directory of Open Access Journals (Sweden)

    AA Fallahi Fallahi

    2011-03-01

    Full Text Available "nBackground: Use of genetic doping or gene transfer technology will be the newest and the lethal method of doping in fu­ture and have some unpleasant consequences for sports, athletes, and outcomes of competitions. The World Anti-Doping Agency (WADA defines genetic doping as "the non-therapeutic use of genes, genetic elements, and/or cells that have the capac­ity to enhance athletic performance". The purpose of this review is to consider genetic doping, health damages and risks of new genes if delivered in athletes."nMethods: This review, which is carried out by reviewing relevant publications, is primarily based on the journals available in GOOGLE, ELSEVIER, PUBMED in fields of genetic technology, and health using a combination of keywords (e.g., ge­netic doping, genes, exercise, performance, athletes until July 2010."nConclusion: There are several genes related to sport performance and if they are used, they will have health risks and sever dam­ages such as cancer, autoimmunization, and heart attack.

  16. Theoretical study on the phenylpropanolamine drug interaction with the pristine, Si and Al doped [60] fullerenes

    Science.gov (United States)

    Moradi, Morteza; Nouraliei, Milad; Moradi, Reza

    2017-03-01

    Phenylpropanolamine (PPA) is a popular drug of abuse and its detection is of great importance for police and drug communities. Herein, we investigated the electronic sensitivity and reactivity of pristine, Al and Si doped C60 fullerenes to the PPA drug, using density functional theory calculations. Two adsorption mechanisms were predicted for PPA on the pristine C60 including cycloaddition and adsorption via -NH2 group. It was found that the pristine C60 has a good sensitivity to this drug but suffers from a weak interaction (adsorption energy -0.1 kcal/mol) because of structural deformation and aromaticity break. The PPA is adsorbed on the Al or Si doped C60 from its -OH or -NH2 groups. The Al-doping significantly improves the reactivity of C60 but decreases its electronic sensitivity. Unlike the Al-doping, the Si-doping increases both the reactivity and electronic sensitivity to the PPA drug. At the presence of PPA drug, the conductivity of the Si-doped C60 considerably increases due to the HOMO-LUMO gap reduction by about 30.3%. Different analyses were used to obtain the results including nucleus independent chemical shift (NICS), density of states (DOS), molecular electrostatic potential (MEP), frontier molecular orbitals (FMO), etc.

  17. Electronic and magnetic properties of nonmetal atoms doped blue phosphorene: First-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Huiling; Yang, Hui [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Wang, Hongxia [College of Mathematics, Physics and Information Science, Zhejiang Ocean University, Zhoushan 316000 (China); Du, Xiaobo [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Yan, Yu, E-mail: yanyu@jlu.edu.cn [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China)

    2016-06-15

    Using first-principles calculations, we study the geometrical structure, electronic structure and magnetic properties of substitutionally doped blue phosphorene with a series of nonmetallic atoms, including F, Cl, B, N, C, Si and O. The calculated formation energies and molecular dynamics simulations indicate that F, Cl, B, N, C, Si and O doped blue phosphorene are stable. Moreover, the substitutional doping of F, Cl, B and N cannot induce the magnetism in blue phosphorene due to the saturation or pairing of the valence electron of dopant and its neighboring P atoms. In contrast, ground states of C, Si and O doped blue phosphorene are spin-polarized and the magnetic moments induced by a doping atom are all 1.0 μ{sub B}, which is attributed to the appearance of an unpaired valence electron of C and Si and the formation of a nonbonding 3p electron of a neighboring P atom around O. Furthermore, the magnetic coupling between the moments induced by two C, Si and O are found to be long-range anti-ferromagnetic and the origin of the coupling can be attributed to the p–p hybridization interaction involving polarized electrons. - Highlights: • F, Cl, B, N, C, Si and O doped blue phosphorene are stable. • Substitutional doping of C, Si and O can produce the magnetism in blue phosphorene. • Magnetic coupling between two C, Si and O is long-range anti-ferromagnetic.

  18. In situ ellipsometry — A powerful tool for monitoring alkali doping of organic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Haidu, F.; Ludemann, M.; Schäfer, P.; Gordan, O.D., E-mail: ovidiu.gordan@physik.tu-chemnitz.de; Zahn, D.R.T.

    2014-11-28

    The changes of the optical properties of several organic thin films induced by potassium doping were monitored using in situ spectroscopic ellipsometry. The samples were prepared in a high vacuum chamber by organic molecular deposition. Then, potassium (K) was evaporated by passing current through K getters. The three different organic molecules used, show very distinct and different spectral behaviour upon doping. While for Tris-(8-hydroxyquinoline)-aluminium(III) and N,N′-Di-[(1-naphthyl)-N,N′-diphenyl]-(1,1′-biphenyl)-4,4′-diamine only small shifts of the spectral features were noticed, Manganese Phthalocyanine revealed significant changes of the optical properties induced by the K doping. This work indicates that the K doping process can have a dramatic effect on the electronic and the optical properties of the organic molecules, but the effect on the optical spectra remains specific for each organic molecule used, and cannot be easily predicted. - Highlights: • Monitoring organic film growth and doping with in situ spectroscopic ellipsometry • K doped organic thin films • Optical properties of organic thin films change by K doping. • The changes in the optical spectra remain specific for each organic molecule used.

  19. Surface study of gallium- and aluminum- doped graphenes upon adsorption of cytosine: DFT calculations

    Science.gov (United States)

    Shokuhi Rad, Ali; Zareyee, Daryoush; Peyravi, Majid; Jahanshahi, Mohsen

    2016-12-01

    The adsorption of cytosine molecule on Al- and Ga- doped graphenes is studied using first-principles density functional theory (DFT) calculations. The energetically most stable geometries of cytosine on both Al- and Ga- doped graphenes are determined and the adsorption energies are calculated. The net charge of transfer as well as local charge of doped atoms upon adsorption of cytosine are studied by natural bond orbitals (NBO) analysis. Orbital hybridizing of complexes was searched by frontier molecular orbital theory (FMO), and density of states (DOS). Depending on the side of cytosine, there are four possible sites for its adsorption on doped graphene; denoted as P1, P2, P3, and P4, respectively. The order of binding energy in the case of Al-doped graphene is found as P1 ˃ P4 ˃ P3 ˃ P2. Interestingly, the order in the case of Ga-doped graphene changes to: P4 ∼ P1˃ P3˃ P2. Both surfaces show superior adsorbent property, resulting chemisorption of cytosine, especially at P1 and P4 position configurations. The NBO charge analysis reveals that the charge transfers from Al- and Ga- doped graphene sheets to cytosine. The electronic properties of both surfaces undertake important changes after cytosine adsorption, which indicates notable change in its electrical conductivity.

  20. Impact of physical activity and doping on epigenetic gene regulation.

    Science.gov (United States)

    Schwarzenbach, Heidi

    2011-10-01

    To achieve success in sports, many athletes consume doping substances, such as anabolic androgenic steroids and growth hormones, and ignore the negative influence of these drugs on their health. Apart from the unethical aspect of doping in sports, it is essential to consider the tremendous risk it represents to their physical condition. The abuse of pharmaceuticals which improve athletic performance may alter the expression of specific genes involved in muscle and bone metabolism by epigenetic mechanisms, such as DNA methylation and histone modifications. Moreover, excessive and relentless training to increase the muscle mass, may also have an influence on the health of the athletes. This stress releases neurotransmitters and growth factors, and may affect the expression of endogenous genes by DNA methylation, too. This paper focuses on the relationship between epigenetic mechanisms and sports, highlights the potential consequences of abuse of doping drugs on gene expression, and describes methods to molecularly detect epigenetic changes of gene markers reflecting the physiological or metabolic effects of doping agents.

  1. Nitrogen-Doped Graphene for Photocatalytic Hydrogen Generation.

    Science.gov (United States)

    Chang, Dong Wook; Baek, Jong-Beom

    2016-04-20

    Photocatalytic hydrogen (H2 ) generation in a water splitting process has recently attracted tremendous interest because it allows the direct conversion of clean and unlimited solar energy into the ideal energy resource of H2 . For efficient photocatalytic H2 generation, the role of the photocatalyst is critical. With increasing demand for more efficient, sustainable, and cost-effective photocatalysts, various types of semiconductor photocatalysts have been intensively developed. In particular, on the basis of its superior catalytic and tunable electronic properties, nitrogen-doped graphene is a potential candidate for a high-performance photocatalyst. Nitrogen-doped graphene also offers additional advantages originating from its unique two-dimensional sp(2) -hybridized carbon network including a large specific surface area and exceptional charge transport properties. It has been reported that nitrogen-doped graphene can play diverse but positive functions including photo-induced charge acceptor/meditator, light absorber from UV to visible light, n-type semiconductor, and giant molecular photocatalyst. Herein, we summarize the recent progress and general aspects of nitrogen-doped graphene as a photocatalyst for photocatalytic H2 generation. In addition, challenges and future perspectives in this field are also discussed.

  2. Highly resistive epitaxial Mg-doped GdN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C.-M.; Warring, H.; Trodahl, H. J.; Ruck, B. J.; Natali, F., E-mail: franck.natali@vuw.ac.nz [MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, P.O. Box 600, Wellington (New Zealand); Vézian, S.; Damilano, B.; Cordier, Y. [Centre de Recherche sur l' Hétéro-Épitaxie et ses Applications (CRHEA), Centre National de la Recherche Scientifique, Rue Bernard Gregory, 06560 Valbonne (France); Granville, S. [MacDiarmid Institute for Advanced Materials and Nanotechnology, Robinson Research Institute, Victoria University of Wellington, P.O. Box 33436, Lower Hutt 5046 (New Zealand); Al Khalfioui, M. [Centre de Recherche sur l' Hétéro-Épitaxie et ses Applications (CRHEA), Centre National de la Recherche Scientifique, Rue Bernard Gregory, 06560 Valbonne (France); University of Nice Sophia Antipolis, Parc Valrose, 06102 Nice Cedex 2 (France)

    2015-01-12

    We report the growth by molecular beam epitaxy of highly resistive GdN, using intentional doping with magnesium. Mg-doped GdN layers with resistivities of 10{sup 3} Ω cm and carrier concentrations of 10{sup 16 }cm{sup −3} are obtained for films with Mg concentrations up to 5 × 10{sup 19} atoms/cm{sup 3}. X-ray diffraction rocking curves indicate that Mg-doped GdN films have crystalline quality very similar to undoped GdN films, showing that the Mg doping did not affect the structural properties of the films. A decrease of the Curie temperature with decreasing the electron density is observed, supporting a recently suggested magnetic polaron scenario [F. Natali, B. J. Ruck, H. J. Trodahl, D. L. Binh, S. Vézian, B. Damilano, Y. Cordier, F. Semond, and C. Meyer, Phys. Rev. B 87, 035202 (2013)].

  3. Heavily Doped Semiconductor Nanocrystal Quantum Dots

    National Research Council Canada - National Science Library

    David Mocatta; Guy Cohen; Jonathan Schattner; Oded Millo; Eran Rabani; Uri Banin

    2011-01-01

    ... of fundamental understanding of this heavily doped limit under strong quantum confinement. We developed a method to dope semiconductor nanocrystals with metal impurities, enabling control of the band gap and Fermi energy...

  4. U.S. Anti-Doping Agency

    Science.gov (United States)

    ... 7, 2016 View All News Releases Our Anti-Doping Programs What does USADA do? What elements make ... symposium topic. More Information Spirit of Sport – Anti-Doping News USADA’s Spirit of Sport news hub contains ...

  5. Cu-Doped-CdS/In-Doped-CdS Cosensitized Quantum Dot Solar Cells

    Directory of Open Access Journals (Sweden)

    Lin Li

    2014-01-01

    Full Text Available Cu-doped-CdS and In-doped-CdS cosensitized (Cu-doped-CdS/In-doped-CdS quantum dot solar cells (QDSCs are introduced here. Different cosensitized sequences, doping ratios, and the thickness (SILAR cycles of Cu-doped-CdS and In-doped-CdS are discussed. Compared with undoped CdS QDSCs, the short circuit current density, UV-Vis absorption spectra, IPCE (monochromatic incident photon-to-electron conversion, open circuit voltage, and so on are all improved. The photoelectric conversion efficiency has obviously improved from 0.71% to 1.28%.

  6. Doping and thrombosis in sports.

    Science.gov (United States)

    Lippi, Giuseppe; Banfi, Giuseppe

    2011-11-01

    Historically, humans have long sought to enhance their "athletic" performance to increase body weight, aggressiveness, mental concentration and physical strength, contextually reducing fatigue, pain, and improving recovery. Although regular training is the mainstay for achieving these targets, the ancillary use of ergogenic aids has become commonplace in all sports. The demarcation between ergogenic aids and doping substances or practices is continuously challenging and mostly based on perceptions regarding the corruption of the fairness of competition and the potential side effects or adverse events arising from the use of otherwise unnecessary ergogenic substances. A kaleidoscope of side effects has been associated with the use of doping agents, including behavioral, skeletal, endocrinologic, metabolic, hemodynamic, and cardiovascular imbalances. Among the various doping substances, the most striking association with thrombotic complications has been reported for androgenic anabolic steroids (i.e., cardiomyopathy, fatal and nonfatal arrhythmias, myocardial infarction [MI], intracardiac thrombosis, stroke, venous thromboembolism [VTE], limb arterial thrombosis, branch retinal vein occlusion, cerebral venous sinus thrombosis) and blood boosting (i.e., VTE and MI, especially for epoetin and analogs). The potential thrombotic complication arising from misuse of other doping agents such as the administration of cortisol, growth hormone, prolactin, cocaine, and platelet-derived preparations is instead speculative or anecdotal at best. The present article provides an overview on the epidemiological association as well as the underlying biochemical and biological mechanisms linking the practice of doping in sports with the development of thrombosis.

  7. Unraveling the effect of polymer dots doping in inverted low bandgap organic solar cells.

    Science.gov (United States)

    Zhang, Xinyuan; Liu, Chunyu; Li, Jinfeng; He, Yeyuan; Li, Zhiqi; Li, Hao; Shen, Liang; Guo, Wenbin; Ruan, Shengping

    2015-06-28

    In this study, molecular doping with polymer dots was designed to unravel its effect on the photoconductivity in organic solar cells. The photocurrent in organic solar cells exhibited a considerable increase under optimal doping concentration, leading to an ultimate enhancement of power conversion efficiency from 2.30% to 3.64%. This can be attributed primarily to the improvement of the initial boost in charge carriers due to the background carriers induced by the polymer dots and increased tail absorption by the active layer. Based on single carrier device and impedance measurements, polymer dopant can efficiently decrease charge recombination and improve charge carriers mobilities. The obtained achievements pave an approach of molecular doping in affecting the operation of organic solar cells.

  8. Layer-resolved photoemission tomography: The p -sexiphenyl bilayer upon Cs doping

    Science.gov (United States)

    Reinisch, E. M.; Puschnig, P.; Ules, T.; Ramsey, M. G.; Koller, G.

    2016-04-01

    The buried interface between a molecular thin film and the metal substrate is generally not accessible to the photoemission experiment. With the example of a sexiphenyl (6 P ) bilayer on Cu we show that photoemission tomography can be used to study the electronic level alignment and geometric structure, where it was possible to assign the observed orbital emissions to the individual layers. We further study the Cs doping of this bilayer. Initial Cs exposure leads to a doping of only the first interface layer, leaving the second layer unaffected except for a large energy shift. This result shows that it is in principle possible to chemically modify just the interface, which is important to issues like tuning of the energy level alignment and charge transfer to the interface layer. Upon saturating the film with Cs, photoemission tomography shows a complete doping (6 p4 - ) of the bilayer, with the molecular geometry changing such that the spectra become dominated by σ -orbital emissions.

  9. Progress on erbium-doped waveguide components

    DEFF Research Database (Denmark)

    Bjarklev, Anders Overgaard; Berendt, Martin Ole; Broeng, Jes;

    1997-01-01

    The recent development in erbium-doped fiber amplifiers, and fiber lasers is reviewed. Also the latest results on planar erbium-doped waveguide amplifiers and high erbium concentration characterisation methods are presented......The recent development in erbium-doped fiber amplifiers, and fiber lasers is reviewed. Also the latest results on planar erbium-doped waveguide amplifiers and high erbium concentration characterisation methods are presented...

  10. 3D Polyaniline Architecture by Concurrent Inorganic and Organic Acid Doping for Superior and Robust High Rate Supercapacitor Performance.

    Science.gov (United States)

    Gawli, Yogesh; Banerjee, Abhik; Dhakras, Dipti; Deo, Meenal; Bulani, Dinesh; Wadgaonkar, Prakash; Shelke, Manjusha; Ogale, Satishchandra

    2016-02-12

    A good high rate supercapacitor performance requires a fine control of morphological (surface area and pore size distribution) and electrical properties of the electrode materials. Polyaniline (PANI) is an interesting material in supercapacitor context because it stores energy Faradaically. However in conventional inorganic (e.g. HCl) acid doping, the conductivity is high but the morphological features are undesirable. On the other hand, in weak organic acid (e.g. phytic acid) doping, interesting and desirable 3D connected morphological features are attained but the conductivity is poorer. Here the synergy of the positive quality factors of these two acid doping approaches is realized by concurrent and optimized strong-inorganic (HCl) and weak-organic (phytic) acid doping, resulting in a molecular composite material that renders impressive and robust supercapacitor performance. Thus, a nearly constant high specific capacitance of 350 F g(-1) is realized for the optimised case of binary doping over the entire range of 1 A g(-1) to 40 A g(-1) with stability of 500 cycles at 40 A g(-1). Frequency dependant conductivity measurements show that the optimized co-doped case is more metallic than separately doped materials. This transport property emanates from the unique 3D single molecular character of such system.

  11. 3D Polyaniline Architecture by Concurrent Inorganic and Organic Acid Doping for Superior and Robust High Rate Supercapacitor Performance

    Science.gov (United States)

    Gawli, Yogesh; Banerjee, Abhik; Dhakras, Dipti; Deo, Meenal; Bulani, Dinesh; Wadgaonkar, Prakash; Shelke, Manjusha; Ogale, Satishchandra

    2016-02-01

    A good high rate supercapacitor performance requires a fine control of morphological (surface area and pore size distribution) and electrical properties of the electrode materials. Polyaniline (PANI) is an interesting material in supercapacitor context because it stores energy Faradaically. However in conventional inorganic (e.g. HCl) acid doping, the conductivity is high but the morphological features are undesirable. On the other hand, in weak organic acid (e.g. phytic acid) doping, interesting and desirable 3D connected morphological features are attained but the conductivity is poorer. Here the synergy of the positive quality factors of these two acid doping approaches is realized by concurrent and optimized strong-inorganic (HCl) and weak-organic (phytic) acid doping, resulting in a molecular composite material that renders impressive and robust supercapacitor performance. Thus, a nearly constant high specific capacitance of 350 F g‑1 is realized for the optimised case of binary doping over the entire range of 1 A g‑1 to 40 A g‑1 with stability of 500 cycles at 40 A g‑1. Frequency dependant conductivity measurements show that the optimized co-doped case is more metallic than separately doped materials. This transport property emanates from the unique 3D single molecular character of such system.

  12. Development of Doped Lanthanum Gallate Solid Electrolytes

    Institute of Scientific and Technical Information of China (English)

    蒋凯; 王海霞; 郑立庆; 杨林; 孟健; 苏锵

    2003-01-01

    Development of the doped lanthanum gallate solid electrolytes in the recent years was reviewed. The structure and oxygen ion transference mechanism were discussed. Effects of alkali earths, transition metals, and impurities on electrical conductivity of the doped lanthanum gallates were also discussed. The applications of doped lanthanum gallate were described. The current problems and corresponding strategies were explored.

  13. A Quarter Century of Doping Scandals

    DEFF Research Database (Denmark)

    Gleaves, John; Christiansen, Ask Vest

    2013-01-01

    With the ongoing doping scandals, revelations, and confessions, it was likely that few celebrated this autumn’s significant anniversary in doping history. Twenty-five years ago—September 26, 1988—news broke of the first major doping scandal in the Olympic Games. Canadian sprinter Ben Johnson, who...

  14. Boron doping a semiconductor particle

    Science.gov (United States)

    Stevens, Gary Don; Reynolds, Jeffrey Scott; Brown, Louanne Kay

    1998-06-09

    A method (10,30) of boron doping a semiconductor particle using boric acid to obtain a p-type doped particle. Either silicon spheres or silicon powder is mixed with a diluted solution of boric acid having a predetermined concentration. The spheres are dried (16), with the boron film then being driven (18) into the sphere. A melt procedure mixes the driven boron uniformly throughout the sphere. In the case of silicon powder, the powder is metered out (38) into piles and melted/fused (40) with an optical furnace. Both processes obtain a p-type doped silicon sphere with desired resistivity. Boric acid is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirements.

  15. Nitrogen-doped hydrothermal carbons

    Energy Technology Data Exchange (ETDEWEB)

    Titirici, Maria-Magdalena; White, Robin J. [Max-Planck-Institute of Colloids and Interfaces, Potsdam (Germany). Dept. of Colloid Chemistry; Zhao, Li [Max-Planck-Institute of Colloids and Interfaces, Potsdam (Germany). Dept. of Colloid Chemistry; National Center for Nanoscience and Technology, Beijing (China)

    2012-07-01

    Nitrogen doped carbon materials are now playing an important role in cutting edge innovations for energy conversion and storage technologies such as supercapacitors and proton exchange membrane fuel cells as well as in catalytic applications, adsorption and CO{sub 2} capture. The production of such materials using benign aqueous based processes, mild temperatures and renewable precursors is of great promise in addressing growing environmental concerns for cleaner power sources at a time of increasing global demand for energy. In this perspective, we show that nitrogen doped carbons prepared using sustainable processes such as ''Hydrothermal Carbonisation'' has advantages in many applications over the conventional carbons. We also summarize an array of synthetic strategies used to create such nitrogen doped carbons, and discuss the application of these novel materials. (orig.)

  16. Surface chemical structure and doping characteristics of boron-doped Si nanowires fabricated by plasma doping

    Science.gov (United States)

    Oh, Seung-Hoon; Ma, Jin-Won; Bae, Jung Min; Kang, Yu-seon; Ahn, Jae-Pyung; Kang, Hang-Kyu; Chae, Jimin; Suh, Dongchan; Song, Woobin; Kim, Sunjung; Cho, Mann-Ho

    2017-10-01

    We investigated the conduction characteristics of plasma-doped Si nanowires (NWs) after various rapid thermal annealing (RTA) times. The plasma doping (PD) process developed a highly-deposited B layer at the NW surface. RTA process controls electrical conductivity by mediating the dopant diffusion from the surface layer. The surface chemical and substitutional states of the B plasma-doped Si NWs were analyzed by x-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. To elucidate the detailed structure of the NWs, we analyzed the change in the optical phonon mode caused by the incorporated B atoms. For this purpose, we examined Fano resonance by the investigation of the asymmetry, line-width, and phonon wavenumber in Raman spectra. The changes in symmetry level of the Raman peak, phonon lifetime, and internal strain were closely related to the number of electrically activated borons, which was drastically increased with RTA time. The change in electrical and optical characterizations related to the doping characteristics of the NWs was investigated using a 4-point probe and terahertz time-domain spectroscopy (THz-TDS). The resistivity of the NWs was 3000 times lower after the annealing process compared to that before the annealing process, which is well consistent with the optical conductivity data. The data provide the potential utility of PD in conformal doping for three-dimensional nanodevices.

  17. Method of doping a semiconductor

    Science.gov (United States)

    Yang, Chiang Y.; Rapp, Robert A.

    1983-01-01

    A method for doping semiconductor material. An interface is established between a solid electrolyte and a semiconductor to be doped. The electrolyte is chosen to be an ionic conductor of the selected impurity and the semiconductor material and electrolyte are jointly chosen so that any compound formed from the impurity and the semiconductor will have a free energy no lower than the electrolyte. A potential is then established across the interface so as to allow the impurity ions to diffuse into the semiconductor. In one embodiment the semiconductor and electrolyte may be heated so as to increase the diffusion coefficient.

  18. Electronegativity and doping in semiconductors

    KAUST Repository

    Schwingenschlögl, Udo

    2012-08-23

    Charge transfer predicted by standard models is at odds with Pauling’s electronegativities but can be reconciled by the introduction of a cluster formation model [Schwingenschlögl et al., Appl. Phys. Lett. 96, 242107 (2010)]. Using electronic structure calculations, we investigate p- and n-type doping in silicon and diamond in order to facilitate comparison as C has a higher electronegativity compared to Si. All doping conditions considered can be explained in the framework of the cluster formation model. The implications for codoping strategies and dopant-defect interactions are discussed.

  19. Extrinsic doping in silicon revisited

    KAUST Repository

    Schwingenschlögl, Udo

    2010-06-17

    Both n-type and p-type doping of silicon is at odds with the charge transfer predicted by Pauling electronegativities and can only be reconciled if we no longer regarding dopant species as isolated atoms but rather consider them as clusters consisting of the dopant and its four nearest neighbor silicon atoms. The process that gives rise to n-type and p-type effects is the charge redistribution that occurs between the dopant and its neighbors, as we illustrate here using electronic structure calculations. This view point is able to explain why conventional substitutional n-type doping of carbon has been so difficult.

  20. Extrinsic doping in silicon revisited

    Energy Technology Data Exchange (ETDEWEB)

    Schwingenschloegl, Udo [PSE Division, KAUST, Thuwal, Kingdom of Saudi Arabia (Saudi Arabia); Chroneos, Alexander; Grimes, Robin [Department of Materials, Imperial College London, London SW7 2BP (United Kingdom); Schuster, Cosima [Institut fuer Physik, Universitaet Augsburg, 86135 Augsburg (Germany)

    2011-07-01

    Both n-type and p-type doping of silicon is at odds with the charge transfer predicted by Pauling electronegativities and can only be reconciled if we no longer regard dopant species as isolated atoms but rather consider them as clusters consisting of the dopant and its four nearest neighbor silicon atoms. The process that gives rise to n-type and p-type effects is the charge redistribution that occurs between the dopant and its neighbors, as we illustrate here using electronic structure calculations. This view point is able to explain why conventional substitutional n-type doping of carbon has been so difficult.

  1. Arsenic complexes optical signatures in As-doped HgCdTe

    Energy Technology Data Exchange (ETDEWEB)

    Gemain, F.; Robin, I. C.; Brochen, S.; Ballet, P.; Gravrand, O.; Feuillet, G. [CEA-LETI Minatec Campus, 17 rue des Martyrs, 38000 Grenoble (France)

    2013-04-08

    In this paper, the optical signatures of arsenic complexes in As-doped HgCdTe samples grown by molecular beam epitaxy are clearly identified using comparison between photoluminescence spectra, Extended X-Ray Absorption Fine Structure, and Hall measurements. The ionization energies of the different complexes are measured both by photoluminescence and Hall measurements.

  2. Direct observation of doping incorporation pathways in self-catalytic GaMnAs nanowires

    DEFF Research Database (Denmark)

    Kasama, Takeshi; Thuvander, M.; Siusys, A.

    2015-01-01

    Doping mechanisms of Mn in GaAs nanowires (NWs) that have been grown self-catalytically at 600 degrees C by molecular beam epitaxy (MBE) are investigated using advanced electron microscopy techniques and atom probe tomography, Mn is found to be incorporated primarily in the form of non-magnetic t...

  3. Molecular physics

    CERN Document Server

    Williams, Dudley

    2013-01-01

    Methods of Experimental Physics, Volume 3: Molecular Physics focuses on molecular theory, spectroscopy, resonance, molecular beams, and electric and thermodynamic properties. The manuscript first considers the origins of molecular theory, molecular physics, and molecular spectroscopy, as well as microwave spectroscopy, electronic spectra, and Raman effect. The text then ponders on diffraction methods of molecular structure determination and resonance studies. Topics include techniques of electron, neutron, and x-ray diffraction and nuclear magnetic, nuclear quadropole, and electron spin reson

  4. Large EPR g-shifts for S= {1}/{2} molecules doped into the nickelocene lattice

    Science.gov (United States)

    Hulliger, J.; Baltzer, P.

    1986-10-01

    Large anisotropic g-shifts for bis-(benzene)-vanadium or cyclopentadienyl-cycloheptatrienyl-vanadium (both S= {1}/{2}) doped into nickelocene ( S=1) have been observed by X-band EPR at 3 K. It is shown by a molecular field analysis that nickelocene is a weakly ferromagnetically coupled Van Vleck paramagnet. Estimated ferro- and antiferromagnetic doublet-triplet molecular field sums are of the order of wavenumbers.

  5. Doping silver nanoparticles in AOT lyotropic lamellarphases

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The organic lyotropic liquid crystal with long-range structural order is used as templateto assemble inorganic/organic hybrid by doping pre-fabricated Ag nanoparticles. The lamellar hy-brid with both hydrophilic and hydrophobic particles doped simultaneously is realized for the firsttime. The change of template structure after doping and the stability origin of dual-doped systemare characterized by small angle X-ray scattering and polarized optical microscopy. Results showthat the interaction and space matching between surfactant bilayers and doped particles are

  6. Electronic Structure of Doped Trans-Polyacetylene

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The behavior of electronic structures of doped trans-polyacetylene is revealed by a simplemethod. (C24H26)+n is used to simulate p-type doped trans-polyacetylene at various doping concentrations.The electronic structure is calculated by CNDO/2 method. These calculations show that at low doping lev-el, the decrease of electronic energy compensates the increase of elastic energy, thus the bond alternationexists, and the charge carriers are solitons. When doping level is high, the increase of elastic energy islarger than the decrease of electronic energy, the bond alternation disappears, solitons no longer exist,and polyacetylene is in a metalic state.

  7. Thermal conductivity and heat transport properties of nitrogen-doped graphene.

    Science.gov (United States)

    Goharshadi, Elaheh K; Mahdizadeh, Sayyed Jalil

    2015-11-01

    In the present study, the thermal conductivity (TC) and heat transport properties of nitrogen doped graphene (N-graphene) were investigated as a function of temperature (107-400K) and N-doped concentration (0.0-7.0%) using equilibrium molecular dynamics simulation based on Green-Kubo method. According to the results, a drastic decline in TC of graphene observed at very low N-doped concentration (0.5 and 1.0%). Substitution of just 1.0% of carbon atoms with nitrogens causes a 77.2, 65.4, 59.2, and 53.7% reduction in TC at 107, 200, 300, and 400K, respectively. The values of TC of N-graphene at different temperatures approach to each other as N-doped concentration increases. The results also indicate that TC of N-graphene is much less sensitive to temperature compared with pristine graphene and the sensitivity decreases as N-doped concentration increases. The phonon-phonon scattering relaxation times and the phonon mean free path of phonons were also calculated. The contribution of high frequency optical phonons for pristine graphene and N-graphene with 7.0% N-doped concentration is 0-2% and 4-8%, respectively. These findings imply that it is potentially feasible to control heat transfer on the nanoscale when designing N-graphene based thermal devices.

  8. Hydrothermal Synthesis of Nitrogen-Doped Titanium Dioxide and Evaluation of Its Visible Light Photocatalytic Activity

    Directory of Open Access Journals (Sweden)

    Junjie Qian

    2012-01-01

    Full Text Available Nitrogen-doped titanium dioxide (N-doped TiO2 photocatalyst was synthesized from nanotube titanic acid (denoted as NTA; molecular formula H2Ti2O5·H2O precursor via a hydrothermal route in ammonia solution. As-synthesized N-doped TiO2 catalysts were characterized by means of X-ray diffraction, transmission electron microscopy, diffuse reflectance spectrometry, X-ray photoelectron spectroscopy, electron spin resonance spectrometry and Fourier transform infrared spectrometry. It was found that nanotube ammonium titanate (NAT was produced as an intermediate during the preparation of N-doped TiO2 from NTA, as evidenced by the N1s X-ray photoelectron spectroscopic peak of NH4 + at 401.7 eV. The catalyst showed much higher activities to the degradation of methylene blue and p-chlorophenol under visible light irradiation than Degussa P25. This could be attributed to the enhanced absorption of N-doped TiO2 in visible light region associated with the formation of single-electron-trapped oxygen vacancies and the inhibition of recombination of photo-generated electron-hole pair by doped nitrogen.

  9. DOPING IN SPORT: GLOBAL ETHICAL ISSUES

    Directory of Open Access Journals (Sweden)

    Angela J. Schneider

    2007-09-01

    Full Text Available DESCRIPTION In this book the question of "How ethical is using performance improving drugs in sport?" is argued in global perspective. PURPOSE The ethical questions in sport are discussed comprehensively. Particularly, different cultures and approach of various countries to that issue were examined. FEATURES The book composed of 10 chapters following a thorough introduction from the editors in 194 pages. The titles are: 1.Fair is Fair, Or Is It? : A Moral Consideration of the Doping Wars in American Sport; 2.Are Doping Sanctions Justified? A Moral Relativistic View; 3.Cultural Nuances: Doping, Cycling and the Tour de France; 4.On Transgendered Athletes, Fairness and Doping: An International Challenge; 5.Creating a Corporate Anti-doping Culture: The Role of Bulgarian Sports Governing Bodies; 6. Doping in the UK: Alain and Dwain, Rio and Greg - Not Guilty?; 7.The Japanese Debate Surrounding the Doping Ban: The Application of the Harm Principle; 8. Doping and Anti-doping in Sport in China: An Analysis of Recent and Present Attitudes and Actions; 9.Anti-doping in Sport: The Norwegian Perspective; 10.Ethics in Sport: The Greek Educational Perspective on Anti-doping. AUDIENCE Given that this book is about a popular topic in sport, it is a great interest to the sport public as well as students, researchers and practitioners in the sport and exercise disciplines.

  10. Atomic Structure and Doping Response of Grain Boundary in Transition Metal Ni

    Institute of Scientific and Technical Information of China (English)

    王崇愚; 于涛

    1994-01-01

    Based on the coincidence site lattice model and by use of the molecular dynamics method, the relaxation calculations on the atomic structures of the grain boundaries of various generating functions (∑3,∑5,…, ∑19,…,∑33) in the transition metal Ni are performed. The features of atomic structures corresponding to the grain boundaries and the effects of the pre-parameter on the interface structures are given. To study the doping response relating to the properties of materials, the 23 tilt grain boundary is selected. Based on the interstice and vacancy mechanisms, the interface responses doping boron, nitrogen and phosphorus for the grain boundary are investigated. According to the criterion of the energy in molecular dynamics simulation, the most probable positions of doping impurities and effect of doping impurities on the interface structure are given, and the dependence of the fine structure on doping type and the order of the impurity amount are obtained. The analysis of the local energy for the

  11. Steroid profiling in doping analysis

    NARCIS (Netherlands)

    Kerkhof, Daniël Henri van de

    2002-01-01

    Profiling androgens in urine samples is used in doping analysis for the detection of abused steroids of endogenous origin. These profiling techniques were originally developed for the analysis of testosterone, mostly by means of the ratio of testosterone to epitestosterone (T/E ratio). A study was p

  12. Impurity doping processes in silicon

    CERN Document Server

    Wang, FFY

    1981-01-01

    This book introduces to non-experts several important processes of impurity doping in silicon and goes on to discuss the methods of determination of the concentration of dopants in silicon. The conventional method used is the discussion process, but, since it has been sufficiently covered in many texts, this work describes the double-diffusion method.

  13. Steroid profiling in doping analysis

    NARCIS (Netherlands)

    Kerkhof, Daniël Henri van de

    2001-01-01

    Profiling androgens in urine samples is used in doping analysis for the detection of abused steroids of endogenous origin. These profiling techniques were originally developed for the analysis of testosterone, mostly by means of the ratio of testosterone to epitestosterone (T/E ratio). A study was p

  14. Doping graphene with metal contacts

    NARCIS (Netherlands)

    Giovannetti, G.; Khomyakov, Petr; Brocks, G.; Karpan, Volodymyr; van den Brink, J.; Kelly, Paul J.

    2008-01-01

    Making devices with graphene necessarily involves making contacts with metals. We use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au, and Pt, while preserving its unique electronic structure, can still shift the

  15. Method of doping organic semiconductors

    Science.gov (United States)

    Kloc, Christian Leo [Constance, DE; Ramirez, Arthur Penn [Summit, NJ; So, Woo-Young [New Providence, NJ

    2012-02-28

    A method includes the steps of forming a contiguous semiconducting region and heating the region. The semiconducting region includes polyaromatic molecules. The heating raises the semiconducting region to a temperature above room temperature. The heating is performed in the presence of a dopant gas and the absence of light to form a doped organic semiconducting region.

  16. Steroid profiling in doping analysis

    NARCIS (Netherlands)

    Kerkhof, Daniël Henri van de

    2001-01-01

    Profiling androgens in urine samples is used in doping analysis for the detection of abused steroids of endogenous origin. These profiling techniques were originally developed for the analysis of testosterone, mostly by means of the ratio of testosterone to epitestosterone (T/E ratio). A study was

  17. Molecular-sized fluorescent nanodiamonds

    Science.gov (United States)

    Vlasov, Igor I.; Shiryaev, Andrey A.; Rendler, Torsten; Steinert, Steffen; Lee, Sang-Yun; Antonov, Denis; Vörös, Márton; Jelezko, Fedor; Fisenko, Anatolii V.; Semjonova, Lubov F.; Biskupek, Johannes; Kaiser, Ute; Lebedev, Oleg I.; Sildos, Ilmo; Hemmer, Philip. R.; Konov, Vitaly I.; Gali, Adam; Wrachtrup, Jörg

    2014-01-01

    Doping of carbon nanoparticles with impurity atoms is central to their application. However, doping has proven elusive for very small carbon nanoparticles because of their limited availability and a lack of fundamental understanding of impurity stability in such nanostructures. Here, we show that isolated diamond nanoparticles as small as 1.6 nm, comprising only ~400 carbon atoms, are capable of housing stable photoluminescent colour centres, namely the silicon vacancy (SiV). Surprisingly, fluorescence from SiVs is stable over time, and few or only single colour centres are found per nanocrystal. We also observe size-dependent SiV emission supported by quantum-chemical simulation of SiV energy levels in small nanodiamonds. Our work opens the way to investigating the physics and chemistry of molecular-sized cubic carbon clusters and promises the application of ultrasmall non-perturbative fluorescent nanoparticles as markers in microscopy and sensing.

  18. Renormalized molecular levels in a Sc3N@C-80 molecular electronic device

    DEFF Research Database (Denmark)

    Larade, Brian; Taylor, Jeremy Philip; Zheng, Q. R.

    2001-01-01

    We address several general questions about quantum transport through molecular systems by an ab initio analysis of a scandium-nitrogen doped C-80 metallofullerene device. Charge transfer from the Sc3N is found to drastically change the current-voltage characteristics: the current through the Sc3N...... @ C-80 device is double that through a bare C-80 device. We provide strong evidence that transport in such molecular devices is mediated by molecular electronic states which have been renormalized by the device environment, such as the electrodes and external bias V-b. The renormalized molecular...

  19. Striking the Right Balance : Effectiveness of Anti-Doping Policies

    NARCIS (Netherlands)

    de Hon, O.M.

    2016-01-01

    Doping, and anti-doping, is in the news on a continuous basis. At the core of these stories and discussions is the question how effective anti-doping policies are to curb the use of doping in sports. Anti-doping policies are based on ethical values, a juridical framework, laboratory analyses, educat

  20. Wetting of doped carbon nanotubes by water droplets

    DEFF Research Database (Denmark)

    Kotsalis, E. M.; Demosthenous, E.; Walther, Jens Honore

    2005-01-01

    We study the wetting of doped single- and multi-walled carbon nanotubes by water droplets using molecular dynamics simulations. Chemisorbed hydrogen is considered as a model of surface impurities. We study systems with varying densities of surface impurities and we observe increased wetting......, as compared to the pristine nanotube case, attributed to the surface dipole moment that changes the orientation of the interfacial water. We demonstrate that the nature of the impurity is important as here hydrogen induces the formation of an extended hydrogen bond network between the water molecules...

  1. On the symmetry of phosphorous doped ZnSe

    Indian Academy of Sciences (India)

    N Sankar; K Ramachandran

    2002-08-01

    The site symmetry of P doped ZnSe is analysed in detail here, as the recent experiments suggest two possible symmetries $T_d$ and $C_{3V}$. The reduction to $C_{3V}$ is attributed to the presence of natural impurity, Ga. Our calculations based on molecular model and Green’s functions suggest that the symmetry $C_{3V}$ is possible with ZnSe : P when Jahn Teller distortion of about ∼ 0.2 Å (towards one of Zn atom) is assumed. This has been supported by other experiments.

  2. Structural and optical properties of Si-doped Ag clusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2014-03-06

    The structural and optical properties of AgN and Ag N-1Si1 (neutral, cationic, and anionic) clusters (N = 5 to 12) are systematically investigated using the density functional based tight binding method and time-dependent density functional theory, providing insight into recent experiments. The gap between the highest occupied and lowest unoccupied molecular orbitals and therefore the optical spectrum vary significantly under Si doping, which enables flexible tuning of the chemical and optical properties of Ag clusters. © 2014 American Chemical Society.

  3. Adsorption Sites of Hydrogen Atom on Pure and Mg-Doped Multi-Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    A. A. Al-Ghamdi

    2012-01-01

    Full Text Available Hydrogen adsorption sites on pure multiwalled carbon nanotube (MWCNT and Mg-doped MWCNTs material system have been investigated using molecular dynamics (MD simulations as well as quantum chemical calculations. Through combining MWCNTs with Mg, the hydrogen adsorption sites energy on this Mg-MWCNTs system is found to be larger than that of the pure MWCNTs. Additionally, it was found that, through Mg-doping, new adsorption sites for hydrogen molecules are created in comparison with undoped nanotubes. It is also found that H atom is preferably adsorbed at every place near magnesium atom.

  4. Incommensurate superstructure in heavily doped fullerene layer on Bi/Si(111) surface

    Science.gov (United States)

    Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Matetskiy, A. V.; Zotov, A. V.; Saranin, A. A.

    2015-08-01

    Cs adsorption onto the C60-covered Si(111)-β- √{ 3 } × √{ 3 } -Bi reconstruction has been studied by means of scanning tunneling microscopy and photoelectron spectroscopy. Unexpected increase in apparent size of every second C60 molecule has been detected, hereupon the close packed molecular array almost doubles its periodicity. The change affects only the fullerenes that are in direct contact with the metal-induced reconstruction and takes no place already in the second layer. Photoelectron studies have revealed that this incommensurate "2 × 2" superstructure of a heavily doped C60 monolayer remains in an insulating state regardless of doping level.

  5. Submicron FETs Using Molecular Beam Epitaxy.

    Science.gov (United States)

    1979-08-01

    C NISMIMOTO N0001-77-C-0655 UNCLASSIFIED NLIiiII/mlum.. varian SUBMICRON FETs USING MOLECULAR BEAM EPITAXY 00 ANNUAL REPORT NO. 2 (August 1978...Ohmic Contacts to Highly Doped n-type GaAs Layers Grown by Molecular Beam Epitaxy (MBE) for Field-Effect Trans- istors," J. Appl. Phys. 50, 951 (1979...36 ’A, References (Cont.) 8. D. M. Collins, "The Use of SnTe as the Source of Donor Impurities in GaAs Grown by Molecular Beam Epitaxy ," Appl. Phys

  6. Si-doping bone composite based on protein template-mediated assembly for enhancing bone regeneration

    Science.gov (United States)

    Yang, Qin; Du, Yingying; Wang, Yifan; Wang, Zhiying; Ma, Jun; Wang, Jianglin; Zhang, Shengmin

    2017-06-01

    Bio-inspired hybrid materials that contain organic and inorganic networks interpenetration at the molecular level have been a particular focus of interest on designing novel nanoscale composites. Here we firstly synthesized a series of hybrid bone composites, silicon-hydroxyapatites/silk fibroin/collagen, based on a specific molecular assembled strategy. Results of material characterization confirmed that silicate had been successfully doped into nano-hydroxyapatite lattice. In vitro evaluation at the cellular level clearly showed that these Si-doped composites were capable of promoting the adhesion and proliferation of rat mesenchymal stem cells (rMSCs), extremely enhancing osteoblastic differentiation of rMSCs compared with silicon-free composite. More interestingly, we found there was a critical point of silicon content in the composition on regulating multiple cell behaviors. In vivo animal evaluation further demonstrated that Si-doped composites enabled to significantly improve the repair of cranial bone defect. Consequently, our current work not only suggests fabricating a potential bone repair materials by integrating element-doping and molecular assembled strategy in one system, but also paves a new way for constructing multi-functional composite materials in the future.

  7. The Ethics of Doping and Anti-Doping

    DEFF Research Database (Denmark)

    Møller, Verner

    – is at heart nothing less than a battle to save sport from itself, located on the fault-line between the will to purity and the will to win. Drawing on extensive and detailed case studies of doping in sport, and using a highly original blend of conceptual ideas from philosophy and sociology, Møller strongly....... It is important reading for all serious students and scholars of the ethics, sociology and politics of sport....

  8. Molecular doping and band-gap opening of bilayer graphene.

    OpenAIRE

    Samuels, AJ; Carey, JD

    2013-01-01

    The ability to induce an energy band gap in bilayer graphene is an important development in graphene science and opens up potential applications in electronics and photonics. Here we report the emergence of permanent electronic and optical band gaps in bilayer graphene upon adsorption of π electron containing molecules. Adsorption of n- or p-type dopant molecules on one layer results in an asymmetric charge distribution between the top and bottom layers and in the formation of an energy gap. ...

  9. Radiation-hardened Erbium doped LMA fiber with AlP composition from solution doping process

    OpenAIRE

    Canat, G.; Sahu, J.K.S.; Le Gouët, J.; Lombard, L.; NILSSON, J.; Duzellier, S.; Boivin, D.; Renard, W.

    2014-01-01

    International audience; We report on Erbium doped large-mode-area fibers based on the phosphoaluminosilicates. The radiation induced attenuation are reduced compared to standard highly doped fibers. We measured 22% power conversion efficiency for core pumping at 1532 nm.

  10. Microscopic signature of insulator-to-metal transition in highly doped semicrystalline conducting polymers in ionic-liquid-gated transistors

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Hisaaki, E-mail: htanaka@nuap.nagoya-u.ac.jp; Nishio, Satoshi; Ito, Hiroshi; Kuroda, Shin-ichi [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan)

    2015-12-14

    Electronic state of charge carriers, in particular, in highly doped regions, in thin-film transistors of a semicrystalline conducting polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene), has been studied by using field-induced electron spin resonance (ESR) spectroscopy. By adopting an ionic-liquid gate insulator, a gate-controlled reversible electrochemical hole-doping of the polymer backbone is achieved, as confirmed from the change of the optical absorption spectra. The edge-on molecular orientation in the pristine film is maintained even after the electrochemical doping, which is clarified from the angular dependence of the g value. As the doping level increases, spin 1/2 polarons transform into spinless bipolarons, which is demonstrated from the spin-charge relation showing a spin concentration peak around 1%, contrasting to the monotonic increase in the charge concentration. At high doping levels, a drastic change in the linewidth anisotropy due to the generation of conduction electrons is observed, indicating the onset of metallic state, which is also supported by the temperature dependence of the spin susceptibility and the ESR linewidth. Our results suggest that semicrystalline conducting polymers become metallic with retaining their molecular orientational order, when appropriate doping methods are chosen.

  11. DFT study of Al doped armchair SWCNTs

    Energy Technology Data Exchange (ETDEWEB)

    Dhiman, Shobhna, E-mail: s-dhiman@hotmail.com [Department of Applied Science, PEC, University of Technology, Chandigarh -160012 (India); Rani, Anita [Guru Nanak College for Girls, Sri Muktsar Sahib, Punjab-152026 (India); Kumar, Ranjan; Dharamvir, Keya [Department of Physics, Panjab University, Chandigarh-160014 (India)

    2016-05-23

    Electronic properties of endohedrally doped armchair single-walled carbon nanotubes (SWCNTs) with a chain of six Al atoms have been studied using ab-initio density functional theory. We investigate the binding energy/atom, ionization potential, electron Affinity and Homo-Lumo gap of doped armchair SWNTs from (4,4) to (6,6) with two ends open. BE/dopant atom and ionization potential is maximum for (6, 6) doped armchair carbon nanotube; suggest that it is more stable than (4, 4) and (5, 5) doped tubes. HOMO - LUMO gap of Al doped arm chair carbon nanotubes decreases linearly with the increase in diameter of the tube. This shows that confinement induce a strong effect on electronic properties of doped tubes. These combined systems can be used for future nano electronics. The ab–initio calculations were performed with SIESTA code using generalized gradient approximation (GGA).

  12. A brief review of co-doping

    Science.gov (United States)

    Zhang, Jingzhao; Tse, Kinfai; Wong, Manhoi; Zhang, Yiou; Zhu, Junyi

    2016-12-01

    Dopants and defects are important in semiconductor and magnetic devices. Strategies for controlling doping and defects have been the focus of semiconductor physics research during the past decades and remain critical even today. Co-doping is a promising strategy that can be used for effectively tuning the dopant populations, electronic properties, and magnetic properties. It can enhance the solubility of dopants and improve the stability of desired defects. During the past 20 years, significant experimental and theoretical efforts have been devoted to studying the characteristics of co-doping. In this article, we first review the historical development of co-doping. Then, we review a variety of research performed on co-doping, based on the compensating nature of co-dopants. Finally, we review the effects of contamination and surfactants that can explain the general mechanisms of co-doping.

  13. Biomarker monitoring in sports doping control.

    Science.gov (United States)

    Pottgiesser, Torben; Schumacher, Yorck Olaf

    2012-06-01

    Biomarker monitoring can be considered a new era in the effort against doping. Opposed to the old concept in doping control of direct detection of a prohibited substance in a biological sample such as urine or blood, the new paradigm allows a personalized longitudinal monitoring of biomarkers that indicate non-physiological responses independently of the used doping technique or substance, and may cause sanctioning of illicit practices. This review presents the development of biomarker monitoring in sports doping control and focuses on the implementation of the Athlete Biological Passport as the current concept of the World Anti Doping Agency for the detection of blood doping (hematological module). The scope of the article extends to the description of novel biomarkers and future concepts of application.

  14. Fluorinated benzalkylsilane molecular rectifiers

    Science.gov (United States)

    Lamport, Zachary A.; Broadnax, Angela D.; Harrison, David; Barth, Katrina J.; Mendenhall, Lee; Hamilton, Clayton T.; Guthold, Martin; Thonhauser, Timo; Welker, Mark E.; Jurchescu, Oana D.

    2016-11-01

    We report on the synthesis and electrical properties of nine new alkylated silane self-assembled monolayers (SAMs) - (EtO)3Si(CH2)nN = CHPhX where n = 3 or 11 and X = 4-CF3, 3,5-CF3, 3-F-4-CF3, 4-F, or 2,3,4,5,6-F, and explore their rectification behavior in relation to their molecular structure. The electrical properties of the films were examined in a metal/insulator/metal configuration, with a highly-doped silicon bottom contact and a eutectic gallium-indium liquid metal (EGaIn) top contact. The junctions exhibit high yields (>90%), a remarkable resistance to bias stress, and current rectification ratios (R) between 20 and 200 depending on the structure, degree of order, and internal dipole of each molecule. We found that the rectification ratio correlates positively with the strength of the molecular dipole moment and it is reduced with increasing molecular length.

  15. Cationic Nitrogen Doped Helical Nanographenes.

    Science.gov (United States)

    Xu, Kun; Feng, Xinliang; Berger, Reinhard; Popov, Alexey A; Weigand, Jan J; Vincon, Ilka; Machata, Peter; Hennersdorf, Felix; Zhou, Youjia; Fu, Yubin

    2017-09-13

    Herein, we report on the synthesis of a series of novel cationic nitrogen doped nanographenes (CNDN) by rhodium catalyzed annulation reactions. This powerful method allows for the synthesis of cationic nanographenes with non-planar, axial chiral geometries. Single-crystal X-ray analysis reveals helical and cove-edged structures. Compared to their all-carbon analogues, the CNDN exhibit energetically lower lying frontier orbitals with a reduced optical energy gap and an electron accepting behavior. All derivatives show quasi reversible reductions in cyclic voltammetry. Depending on the number of nitrogen dopant, in situ spectroelectrochemistry proves the formation of neutral radicals (one nitrogen dopant) or radical cations (two nitrogen dopants) upon reduction. The developed synthetic protocol paves the way for the design and synthesis of expanded nanographenes or even graphene nanoribbons containing cationic nitrogen doping. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Degenerate doping of metallic anodes

    Science.gov (United States)

    Friesen, Cody A; Zeller, Robert A; Johnson, Paul B; Switzer, Elise E

    2015-05-12

    Embodiments of the invention relate to an electrochemical cell comprising: (i) a fuel electrode comprising a metal fuel, (ii) a positive electrode, (iii) an ionically conductive medium, and (iv) a dopant; the electrodes being operable in a discharge mode wherein the metal fuel is oxidized at the fuel electrode and the dopant increases the conductivity of the metal fuel oxidation product. In an embodiment, the oxidation product comprises an oxide of the metal fuel which is doped degenerately. In an embodiment, the positive electrode is an air electrode that absorbs gaseous oxygen, wherein during discharge mode, oxygen is reduced at the air electrode. Embodiments of the invention also relate to methods of producing an electrode comprising a metal and a doped metal oxidation product.

  17. Phosphorous doping a semiconductor particle

    Science.gov (United States)

    Stevens, Gary Don; Reynolds, Jeffrey Scott

    1999-07-20

    A method (10) of phosphorus doping a semiconductor particle using ammonium phosphate. A p-doped silicon sphere is mixed with a diluted solution of ammonium phosphate having a predetermined concentration. These spheres are dried (16, 18), with the phosphorus then being diffused (20) into the sphere to create either a shallow or deep p-n junction. A good PSG glass layer is formed on the surface of the sphere during the diffusion process. A subsequent segregation anneal process is utilized to strip metal impurities from near the p-n junction into the glass layer. A subsequent HF strip procedure is then utilized to removed the PSG layer. Ammonium phosphate is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirement.

  18. Phosphorus doping a semiconductor particle

    Science.gov (United States)

    Stevens, G.D.; Reynolds, J.S.

    1999-07-20

    A method of phosphorus doping a semiconductor particle using ammonium phosphate is disclosed. A p-doped silicon sphere is mixed with a diluted solution of ammonium phosphate having a predetermined concentration. These spheres are dried with the phosphorus then being diffused into the sphere to create either a shallow or deep p-n junction. A good PSG glass layer is formed on the surface of the sphere during the diffusion process. A subsequent segregation anneal process is utilized to strip metal impurities from near the p-n junction into the glass layer. A subsequent HF strip procedure is then utilized to removed the PSG layer. Ammonium phosphate is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirement. 1 fig.

  19. Main modern problems of doping in sport

    Directory of Open Access Journals (Sweden)

    Rudenko V.P.

    2014-04-01

    Full Text Available Purpose : to identify and substantiate medico-biological, psychological and social problems of doping in sport. Material: Theoretical study is based on analysis of more than 50 scientific and methodical literatures. Results : it was shown that doping is one of the serious problems of modern sport and society in general. Defines important questions regarding anti-doping rules and the anti-doping control in sport. Installed the use of performance enhancing drugs in professional sports for children and youth. Given the promising solutions to the problems of doping in Ukraine. Conclusions: Among the problems of modern sport is becoming increasingly important issue of doping. It is an extremely complex because it involves the interrelated medical, legal, political, moral, organizational, social and pedagogical aspects. Socio-pedagogical factors of anti-doping policy in sports scientists comprehensively still not addressed. Certain aspects of anti-doping policy presented in scientific papers, which can be divided into two groups. The first group of papers is devoted to doping in sport as a social event. The second group of papers devoted to the problems of doping control. Today there is a need and objective preconditions for the development and adoption of a General concept, which would be generalized numerical amount of data received and served as a basis for developing an effective anti-doping control at the expense of improvement of legislative and normative-legal base and infrastructure of the anti-doping policy in Ukraine, which should be brought in line with modern international standards.

  20. A structurally-controllable spin filter in a δ-doped magnetically modulated semiconductor nanostructure with zero average magnetic field

    Science.gov (United States)

    Shen, Li-Hua; Ma, Wen-Yue; Zhang, Gui-Lian; Yang, Shi-Peng

    2015-07-01

    We report on a theoretical investigation of spin-polarized transport in a δ-doped magnetically modulated semiconductor nanostructure, which can be experimentally realized by depositing a ferromagnetic stripe on the top of a semiconductor heterostructure and by using the atomic layer doping technique such as molecular beam epitaxy (MBE). It is shown that although such a nanostructure has a zero average magnetic filed, a sizable spin polarization exists due to the Zeeman splitting mechanism. It is also shown that the degree of spin polarization varies sensitively with the weight and/or position of the δ-doping. Therefore, one can conveniently tailor the behaviour of the spin-polarized electron by tuning the δ -doping, and such a device can be employed as a controllable spin filter for spintronics.

  1. A p → n transition for Sn-doped Cu(In,Ga)Se2 bulk materials

    Science.gov (United States)

    Monsefi, Mehrdad; Kuo, Dong-Hau

    2013-08-01

    Cu(In,Ga)Se2 (CIGSe) pellets at different Sn contents were fabricated by reactive liquid-phase sintering at 600-700 °C with the help of sintering aids of Sb2S3 and Te. Powder preparation was based upon the molecular formula of Cu0.9[(In0.7-xSnxGa0.3)0.9Sb0.1](S0.15Te0.2Se1.65) or Sn-x-CIGSe. Morphology, structure, and electrical property of Sn-doped CIGSe bulks were investigated. The composition of Sn-doped CIGSe is purposely designed for studying the doping effect on the CIGSe performance. The unexpected increase in hole concentration of CIGSe due to the donor doping is rationalized. A controllable n-type semiconductor is deliberately achieved for Sn-0.15-CIGSe and important for making a p/n homojunction in CIGSe solar cells.

  2. Stone-Wales defects in nitrogen-doped C$_{20}$ fullerenes: Insight from $\\textit{ab initio}$ calculations

    CERN Document Server

    Katin, Konstantin

    2016-01-01

    Density functional theory is applied to study the mechanism of the Stone-Wales defect formation in pure and nitrogen-doped dodecahedral C$_{20}$ fullerenes. The molecular structures of initial and defected cages as well as transition states dividing them are obtained. Depending on the number of nitrogen atoms and their relative position in the cage, Stone-Wales defect is formed through the single additional intermediate state or directly. The activation energy barrier of the defect formation reduces from 4.93 eV in pure C$_{20}$ to 2.98 eV in single-doped C$_{19}$N, and reaches $\\sim$ 2 eV under further doping. All nitrogen-doped fullerenes considered possess high kinetic stability at room temperature. However, they become much less stable at temperatures of about 750 K that are typical for the fullerene annealing process.

  3. High-temperature superconductivity in space-charge regions of lanthanum cuprate induced by two-dimensional doping

    Science.gov (United States)

    Baiutti, F.; Logvenov, G.; Gregori, G.; Cristiani, G.; Wang, Y.; Sigle, W.; van Aken, P. A.; Maier, J.

    2015-10-01

    The exploitation of interface effects turned out to be a powerful tool for generating exciting material properties. Such properties include magnetism, electronic and ionic transport and even superconductivity. Here, instead of using conventional homogeneous doping to enhance the hole concentration in lanthanum cuprate and achieve superconductivity, we replace single LaO planes with SrO dopant planes using atomic-layer-by-layer molecular beam epitaxy (two-dimensional doping). Electron spectroscopy and microscopy, conductivity measurements and zinc tomography reveal such negatively charged interfaces to induce layer-dependent superconductivity (Tc up to 35 K) in the space-charge zone at the side of the planes facing the substrate, where the strontium (Sr) profile is abrupt. Owing to the growth conditions, the other side exhibits instead a Sr redistribution resulting in superconductivity due to conventional doping. The present study represents a successful example of two-dimensional doping of superconducting oxide systems and demonstrates its power in this field.

  4. Controlling the color of cholesteric liquid-crystalline films by photoirradiation of a chiroptical molecular switch used as dopant

    NARCIS (Netherlands)

    van Delden, RA; Huck, NPM; Feringa, BL; Delden, Richard A. van; Gelder, Marc B. van; Huck, Nina P.M.

    2003-01-01

    Using thin films of a cholesteric mixture of acrylates 2 and 3 doped with the chiroptical molecular switch (M)-trans-1, photo-control of the reflection color between red and green is possible. This doped liquid-crystal (LC) film can be used for photoinduced writing, color reading, and photoinduced l

  5. Reverse rectification and negative differential resistance effects in doped armchair graphene ribbons device

    Science.gov (United States)

    Yuan, Peipei; Zheng, Yapeng; Bian, Baoan; Liao, Bin

    2016-09-01

    In the present work, we perform first-principles calculations based on density functional theory and non-equilibrium Green's function to study the electronic transport properties of the 10-armchair graphene ribbons devices doped by boron and phosphorus atoms. Two kinds of device show a strong inverse rectification and negative differential resistance (NDR) effect. The effect of doping position on rectifying phenomenon are analyzed by calculating the transmission spectra and the energy band structures of the related electrodes as well as the projected density of states for two devices at different bias. And the observed NDR effect is explained by the local density of states. The results indicate that the asymmetric doping of the impurity atom contributes to the electron transport of the device, being used to design a molecular rectifier with good performance.

  6. Organic capping-Effect and mechanism in Mn-doped CdS nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Verma, Prinsa, E-mail: prinsa.verma@gmail.co [Nanophosphor Application Center, Allahabad University (India); Satish Dhawan Space Center, ISRO (India); Manoj, Gali S. [Satish Dhawan Space Center, ISRO (India); Pandey, Avinash C. [Nanophosphor Application Center, Allahabad University (India)

    2010-03-01

    Driven with an objective of confining the growth of nanoparticles, polyvinyl pyrrolidone (PVP) was used as a capping agent over Mn{sup +2}-doped CdS nanoparticles. The mechanism is studied and results are discussed. An improvement in the doping efficiency and improvement in reproducibility of the nanoparticles as compared to the common co-precipitation method is observed which can be endorsed to the introduction of PVP, as coordination of PVP molecular orbitals with metallic orbitals attribute to the surface passivation of the CdS nanoparticles. PVP helps in stabilizing the nanoparticles, increases the doping efficiency and leads to enhancement in optoelectronic properties. A change in band gap is noticed as there is blue shift in wavelength compared to bulk due to confinement of particle size. The obtained nanoparticles are characterized by X-ray diffraction, transmission electron microscopy, ultraviolet-visible and photoluminescence spectroscopy.

  7. Transport properties of boron-doped single-walled silicon carbide nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Y.T. [Key laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Ding, R.X., E-mail: rx_ding@163.co [Key laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Song, J.X. [Key laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); School of Electronic Engineering, Xi' an Shiyou University, Xi' an 710075 (China)

    2011-01-15

    The doped boron (B) atom in silicon carbide nanotube (SiCNT) can substitute carbon or silicon atom, forming two different structures. The transport properties of both B-doped SiCNT structures are investigated by the method combined non-equilibrium Green's function with density functional theory (DFT). As the bias ranging from 0.8 to 1.0 V, the negative differential resistance (NDR) effect occurs, which is derived from the great difficulty for electrons tunneling from one electrode to another with the increasing of localization of molecular orbital. The high similar transport properties of both B-doped SiCNT indicate that boron is a suitable impurity for fabricating nano-scale SiCNT electronic devices.

  8. MBE growth and properties of Cr-doped ZnTe on GaAs(001)

    Energy Technology Data Exchange (ETDEWEB)

    Hou, X.J. [Data Storage Institute, 5 Engineering Drive 1, Singapore 117608 (Singapore); Information Storage Materials Laboratory, Electrical and Computer Engineering Department, National University of Singapore, 4 Engineering Drive 3, Singapore 117576 (Singapore); Teo, K.L. [Information Storage Materials Laboratory, Electrical and Computer Engineering Department, National University of Singapore, 4 Engineering Drive 3, Singapore 117576 (Singapore)]. E-mail: eleteokl@nus.edu.sg; Sreenivasan, M.G. [Data Storage Institute, 5 Engineering Drive 1, Singapore 117608 (Singapore); Information Storage Materials Laboratory, Electrical and Computer Engineering Department, National University of Singapore, 4 Engineering Drive 3, Singapore 117576 (Singapore); Liew, T. [Data Storage Institute, 5 Engineering Drive 1, Singapore 117608 (Singapore); Information Storage Materials Laboratory, Electrical and Computer Engineering Department, National University of Singapore, 4 Engineering Drive 3, Singapore 117576 (Singapore); Chong, T.C. [Data Storage Institute, 5 Engineering Drive 1, Singapore 117608 (Singapore); Information Storage Materials Laboratory, Electrical and Computer Engineering Department, National University of Singapore, 4 Engineering Drive 3, Singapore 117576 (Singapore)

    2006-05-18

    Cr-doped ZnTe diluted magnetic semiconductor thin films were grown on semi-insulating GaAs [001] substrates at low temperature by solid-source molecular-beam epitaxy. Zn{sub 1-x}Cr {sub x}Te samples with Cr concentrations x 0.026 and x = 0.141 were prepared. The magnetization versus magnetic field (M-H) measurement showed a clear hysteresis loop at low temperature for these samples. For higher Cr doping with nominal Cr concentration of x > 0.18, we obtained a Curie temperature of 365 K; the highest reported so far for thin film sample. However, this strong ferromagnetic momentum could possibly be due to Cr{sub 1-{delta}}Te precipitate in the Cr-doped ZnTe system.

  9. Time-resolved luminescent biosensing based on inorganic lanthanide-doped nanoprobes.

    Science.gov (United States)

    Zheng, Wei; Tu, Datao; Huang, Ping; Zhou, Shanyong; Chen, Zhuo; Chen, Xueyuan

    2015-03-11

    Time-resolved (TR) photoluminescence (PL) biosensing has been widely adopted in many research and medical institutions. However, commercial molecular TRPL bioprobes like lanthanide (Ln(3+))-chelates suffer from poor photochemical stability and long-term toxicity. Inorganic Ln(3+)-doped nanocrystals (NCs), owing to their superior physicochemical properties over Ln(3+)-chelates, are regarded as a new generation of luminescent nanoprobes for TRPL biosensing. The long-lived PL of Ln(3+)-doped NCs combined with the TRPL technique is able to completely suppress the interference of the short-lived background, resulting in a background-free signal and therefore a remarkable sensitivity for biosensing. In this feature article, we summarize the latest advancements in inorganic Ln(3+)-doped NCs as TRPL nano-bioprobes from their fundamental optical properties to their potential applications for ultrasensitive biodetection and high-resolution bioimaging. Future efforts towards the commercialization of these nanoprobes are also proposed.

  10. Doping of GaN{sub 1-x}As{sub x} with high As content

    Energy Technology Data Exchange (ETDEWEB)

    Levander, A.X.; Novikov, S.V.; Liliental-Weber, Z.; dos Reis, R.; Dubon, O.D.; Wu, J.; Foxon, C.T.; Yu, K.M.; Walukiewicz, W.

    2011-09-22

    Recent work has shown that GaN{sub 1-x}As{sub x} can be grown across the entire composition range by low temperature molecular beam epitaxy with intermediate compositions being amorphous, but control of the electrical properties through doping is critical for functionalizing this material. Here we report the bipolar doping of GaN{sub 1-x}As{sub x} with high As content to conductivities above 4 S/cm at room temperature using Mg or Te. The carrier type was confirmed by thermopower measurements. Doping requires an increase in Ga flux during growth resulting in a mixed phase material of polycrystalline GaAs:N embedded in amorphous GaN{sub 1-x}As{sub x}.

  11. Organic light emitting devices with doped electron transport and hole blocking layers

    Energy Technology Data Exchange (ETDEWEB)

    Tardy, J. [Laboratoire d' Electronique, Optoelectronique et Microsystemes (LEOM, UMR CNRS no 5512) Ecole Centrale de Lyon, 36 avenue Guy de Collongue, 69134 Ecully Cedex (France)]. E-mail: jacques.tardy@ec-lyon.fr; Khalifa, M. Ben [Laboratoire d' Electronique, Optoelectronique et Microsystemes (LEOM, UMR CNRS no 5512) Ecole Centrale de Lyon, 36 avenue Guy de Collongue, 69134 Ecully Cedex (France); Vaufrey, D. [Laboratoire d' Electronique, Optoelectronique et Microsystemes (LEOM, UMR CNRS no 5512) Ecole Centrale de Lyon, 36 avenue Guy de Collongue, 69134 Ecully Cedex (France)

    2006-03-15

    This study reports on heterostructure OLEDs with n-type molecularly doped electron transport layer and hole blocking layer. The influence of doping on the operating voltage and on light emission performances was investigated. The n-type doping molecule is 2-(4-biphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PBD) dispersed into either an 8-(hydroquinoline) aluminum (Alq) electron transport layer (ETL) or a 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline (Bathocuproine BCP) hole blocking layer (HBL). The typical device structure is glass substrate/indium tin oxide/PEDOT/TPD-F4-TCNQ/Alq-DCM/BCP/Alq/Mg-Ag where Poly(3,4)ethylenedioxythiophene/Polystyrenesulphonate (PEDOT/PSS) is a hole injecting layer, TPD-F4-TCNQ is a hole transport layer (HTL) made of N,N'-Bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD) doped with 2 wt.% of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-quinodimethane (F4-TCNQ) and Alq-DCM is the emitting layer (EML) made of Alq doped with 2 wt.% of 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM) orange dye. The modified cathode consists in a combination of a BCP HBL and an Alq ETL where BCP or/and Alq were doped with PBD. Lowest operating voltage (3 V for a luminance of 10 Cd/m{sup 2}) and brightest devices (6000 Cd/m{sup 2}) were obtained with a hole blocking bilayer made of BCP doped with 28 wt.% deposited onto an undoped BCP (each one being 5 nm thick). Adding an undoped Alq layer improved the device current efficiency (4 Cd/A) but is detrimental to the operating voltage (6 V for a luminance of 10 Cd/m{sup 2}). In the absence of real n-type doping with organic molecules, our results point out that the design of molecular doped injection layer at the cathode will need for a compromise between high luminance and efficiency on one hand and low operating voltage on the other hand.

  12. Magnetismo Molecular (Molecular Magentism)

    Energy Technology Data Exchange (ETDEWEB)

    Reis, Mario S [Universidade Federal Fluminense, Brasil; Moreira Dos Santos, Antonio F [ORNL

    2010-07-01

    The new synthesis processes in chemistry open a new world of research, new and surprising materials never before found in nature can now be synthesized and, as a wonderful result, observed a series of physical phenomena never before imagined. Among these are many new materials the molecular magnets, the subject of this book and magnetic properties that are often reflections of the quantum behavior of these materials. Aside from the wonderful experience of exploring something new, the theoretical models that describe the behavior these magnetic materials are, in most cases, soluble analytically, which allows us to know in detail the physical mechanisms governing these materials. Still, the academic interest in parallel this subject, these materials have a number of properties that are promising to be used in technological devices, such as in computers quantum magnetic recording, magnetocaloric effect, spintronics and many other devices. This volume will journey through the world of molecular magnets, from the structural description of these materials to state of the art research.

  13. Adsorption of small gas molecules on pure and Al-doped graphene sheet: a quantum mechanical study

    Indian Academy of Sciences (India)

    DHARMVEER SINGH; ASHEESH KUMAR; DEVESH KUMAR

    2017-10-01

    The interaction of small gas molecules (CCl$_4$, CH$_4$, NH$_3$, CO$_2$, N$_2$, CO, NO$_2$ CCl$_2$F$_2$, SO$_2$, CF$_4$, H$_2$) on pure and aluminium-doped graphene were investigated by using the density functional theory to explore their potential applications as sensors. It has been found that all gas molecules show much stronger adsorption on the Al-doped graphene than that of pure graphene (PG). The Al-doped graphene shows the highest adsorption energy with NO$_2$, NH$_3$ and CO$_2$ molecules, whereas the PG binds strongly with NO$_2$. Therefore, the strong interactions between the adsorbed gas molecules and the Al-doped graphene induce dramatic changes to graphene’s electronic properties. These results reveal that the sensitivity of graphene-based gas sensor could be drastically improved by introducing the appropriate dopant or defect. It also carried out the highest occupied molecular orbital–lowest unoccupied molecular orbital energy gap of the complex molecular structure that has been explored by M06/6-31++G$^{**}$ method. These results indicate that the energy gap fine tuning of the pure and Al-doped graphene can be affected through the binding of small gas molecules.

  14. Molecular Rotors as Switches

    Directory of Open Access Journals (Sweden)

    Kang L. Wang

    2012-08-01

    Full Text Available The use of a functional molecular unit acting as a state variable provides an attractive alternative for the next generations of nanoscale electronics. It may help overcome the limits of conventional MOSFETd due to their potential scalability, low-cost, low variability, and highly integratable characteristics as well as the capability to exploit bottom-up self-assembly processes. This bottom-up construction and the operation of nanoscale machines/devices, in which the molecular motion can be controlled to perform functions, have been studied for their functionalities. Being triggered by external stimuli such as light, electricity or chemical reagents, these devices have shown various functions including those of diodes, rectifiers, memories, resonant tunnel junctions and single settable molecular switches that can be electronically configured for logic gates. Molecule-specific electronic switching has also been reported for several of these device structures, including nanopores containing oligo(phenylene ethynylene monolayers, and planar junctions incorporating rotaxane and catenane monolayers for the construction and operation of complex molecular machines. A specific electrically driven surface mounted molecular rotor is described in detail in this review. The rotor is comprised of a monolayer of redox-active ligated copper compounds sandwiched between a gold electrode and a highly-doped P+ Si. This electrically driven sandwich-type monolayer molecular rotor device showed an on/off ratio of approximately 104, a read window of about 2.5 V, and a retention time of greater than 104 s. The rotation speed of this type of molecular rotor has been reported to be in the picosecond timescale, which provides a potential of high switching speed applications. Current-voltage spectroscopy (I-V revealed a temperature-dependent negative differential resistance (NDR associated with the device. The analysis of the device

  15. Superconductivity in alkali-doped C{sub 60}

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, Arthur P., E-mail: apr@ucsc.edu

    2015-07-15

    Highlight: • Superconductivity in alkali-doped C{sub 60} (A{sub 3}C{sub 60}) is well described by an s-wave state produced by phonon mediated pairing. • Moderate coupling of electrons to high-frequency shape-changing intra-molecular vibrational modes produces transition temperatures up to 33 K in single-phase material. • The good understanding of pairing in A{sub 3}C{sub 60} offers a paradigm for the development of new superconducting materials. - Abstract: Superconductivity in alkali-doped C{sub 60} (A{sub 3}C{sub 60}, A = an alkali atom) is well described by an s-wave state produced by phonon mediated pairing. Moderate coupling of electrons to high-frequency shape-changing intra-molecular vibrational modes produces transition temperatures (T{sub c}) up to 33 K in single-phase material. The good understanding of pairing in A{sub 3}C{sub 60} offers a paradigm for the development of new superconducting materials.

  16. Adsorption of sugars on Al- and Ga-doped boron nitride surfaces: A computational study

    Science.gov (United States)

    Darwish, Ahmed A.; Fadlallah, Mohamed M.; Badawi, Ashraf; Maarouf, Ahmed A.

    2016-07-01

    Molecular adsorption on surfaces is a key element for many applications, including sensing and catalysis. Non-invasive sugar sensing has been an active area of research due to its importance to diabetes care. The adsorption of sugars on a template surface study is at the heart of matter. Here, we study doped hexagonal boron nitride sheets (h-BNNs) as adsorbing and sensing template for glucose and glucosamine. Using first principles calculations, we find that the adsorption of glucose and glucosamine on h-BNNs is significantly enhanced by the substitutional doping of the sheet with Al and Ga. Including long range van der Waals corrections gives adsorption energies of about 2 eV. In addition to the charge transfer occurring between glucose and the Al/Ga-doped BN sheets, the adsorption alters the size of the band gap, allowing for optical detection of adsorption. We also find that Al-doped boron nitride sheet is better than Ga-doped boron nitride sheet to enhance the adsorption energy of glucose and glucosamine. The results of our work can be potentially utilized when designing support templates for glucose and glucosamine.

  17. Raman and XPS analyses of pristine and annealed N-doped double-walled carbon nanotubes

    Science.gov (United States)

    Shi, Lei; Sauer, Markus; Domanov, Oleg; Rohringer, Philip; Ayala, Paola; Pichler, Thomas

    2015-11-01

    N-doped single/multi-walled carbon nanotubes (CNTs) were studied for long time from synthesis to properties. However, the stability of N in the CNT lattice still needs further developments. In this work, to obtain more stable N-doped CNTs, concentric double-walled (DW) CNTs with more N were synthesized using benzylamine as C and N source. In order to test the stability of N-doped DWCNTs, high-temperature annealing in vacuum was performed. By XPS and Raman spectroscopic measurements, we found that the N-doped DWCNTs are still stable under 1500 $\\,^{\\circ}\\mathrm{C}$: the graphitic N does not change at all, the molecular N is partly removed, and the pyridinic N ratio greatly increases by more than two times. The reason could be that the N atoms from the surrounded N-contained materials combine into the CNT lattice during the annealing. Compared with the undoped DWCNTs, no Raman frequency shift was observed for the RBM, the G-band, and the G'-band of the N-doped DWCNTs.

  18. Study on A.C. electrical properties of pure and L-serine doped ADP crystals

    Science.gov (United States)

    Joshi, J. H.; Dixit, K. P.; Joshi, M. J.; Parikh, K. D.

    2016-05-01

    Ammonium Dihydrogen Phosphate (ADP) crystals have a wide range of applications in integrated and nonlinear optics. Amino acids having significant properties like molecular chirality, zwitter ionic nature, etc. attracted many researchers to dope them in various NLO crystals. In the present study, pure and different weight percentage L-serine doped ADP crystals were grown by slow solvent evaporation technique at room temperature. The A.C. electrical study was carried out for palletized samples at room temperature. The Nyquist plot showed two semi circles for pure ADP indicated the effect of grain and grain boundary, whereas the doped ADP samples exhibited the single semi circle suggesting the effect of grain. The values resistance and capacitance for grain and grain boundary were calculated. The effect of doping was clearly seen in the grain capacitance and resistance values. The dielectric constant and dielectric loss decreased with increase in frequency for all samples. The Jonscher power law was applied for A.C. conductivity for pure and doped ADP samples. The imaginary part of modulus and impedance versus frequency were drawn and the value of stretch exponent (β) was calculated for all the samples.

  19. Iodine Doping of CdTe and CdMgTe for Photovoltaic Applications

    Energy Technology Data Exchange (ETDEWEB)

    Ogedengbe, O. S.; Swartz, C. H.; Jayathilaka, P. A. R. D.; Petersen, J. E.; Sohal, S.; LeBlanc, E. G.; Edirisooriya, M.; Zaunbrecher, K. N.; Wang, A.; Barnes, T. M.; Myers, T. H.

    2017-06-06

    Iodine-doped CdTe and Cd1-xMgxTe layers were grown by molecular beam epitaxy. Secondary ion mass spectrometry characterization was used to measure dopant concentration, while Hall measurement was used for determining carrier concentration. Photoluminescence intensity and time-resolved photoluminescence techniques were used for optical characterization. Maximum n-type carrier concentrations of 7.4 x 1018 cm-3 for CdTe and 3 x 1017 cm-3 for Cd0.65Mg0.35Te were achieved. Studies suggest that electrically active doping with iodine is limited with dopant concentration much above these values. Dopant activation of about 80% was observed in most of the CdTe samples. The estimated activation energy is about 6 meV for CdTe and the value for Cd0.65Mg0.35Te is about 58 meV. Iodine-doped samples exhibit long lifetimes with no evidence of photoluminescence degradation with doping as high as 2 x 1018 cm-3, while indium shows substantial non-radiative recombination at carrier concentrations above 5 x 1016 cm-3. Iodine was shown to be thermally stable in CdTe at temperatures up to 600 degrees C. Results suggest iodine may be a preferred n-type dopant compared to indium in achieving heavily doped n-type CdTe.

  20. Raman and XPS analyses of pristine and annealed N-doped double-walled carbon nanotubes

    CERN Document Server

    Shi, Lei; Domanov, Oleg; Rohringer, Philip; Ayala, Paola; Pichler, Thomas

    2015-01-01

    N-doped single/multi-walled carbon nanotubes (CNTs) were studied for long time from synthesis to properties. However, the stability of N in the CNT lattice still needs further developments. In this work, to obtain more stable N-doped CNTs, concentric double-walled (DW) CNTs with more N were synthesized using benzylamine as C and N source. In order to test the stability of N-doped DWCNTs, high-temperature annealing in vacuum was performed. By XPS and Raman spectroscopic measurements, we found that the N-doped DWCNTs are still stable under 1500 $\\,^{\\circ}\\mathrm{C}$: the graphitic N does not change at all, the molecular N is partly removed, and the pyridinic N ratio greatly increases by more than two times. The reason could be that the N atoms from the surrounded N-contained materials combine into the CNT lattice during the annealing. Compared with the undoped DWCNTs, no Raman frequency shift was observed for the RBM, the G-band, and the G'-band of the N-doped DWCNTs.

  1. Molecular entanglement and electrospinnability of biopolymers.

    Science.gov (United States)

    Kong, Lingyan; Ziegler, Gregory R

    2014-09-03

    Electrospinning is a fascinating technique to fabricate micro- to nano-scale fibers from a wide variety of materials. For biopolymers, molecular entanglement of the constituent polymers in the spinning dope was found to be an essential prerequisite for successful electrospinning. Rheology is a powerful tool to probe the molecular conformation and interaction of biopolymers. In this report, we demonstrate the protocol for utilizing rheology to evaluate the electrospinnability of two biopolymers, starch and pullulan, from their dimethyl sulfoxide (DMSO)/water dispersions. Well-formed starch and pullulan fibers with average diameters in the submicron to micron range were obtained. Electrospinnability was evaluated by visual and microscopic observation of the fibers formed. By correlating the rheological properties of the dispersions to their electrospinnability, we demonstrate that molecular conformation, molecular entanglement, and shear viscosity all affect electrospinning. Rheology is not only useful in solvent system selection and process optimization, but also in understanding the mechanism of fiber formation on a molecular level.

  2. Knowledge of pharmacy students about doping, and the need for doping education: a questionnaire survey.

    Science.gov (United States)

    Shibata, Keita; Ichikawa, Koichi; Kurata, Naomi

    2017-08-11

    Anti-doping activities are carried out on a global scale. Based on these activities, the specialty of "sports pharmacist," which entails a deeper comprehension of doping, use of supplements, and appropriate drug use for athletes, was established in 2009 in Japan. It is difficult to say whether the education on doping is adequate for pharmacy students who will be eligible to become sports pharmacists. It is also unclear how well these students understand doping. Therefore, the aim of this study was to investigate pharmacy students' current knowledge of appropriate drug use, doping and use of supplements, and to explore the need for further education on these topics. A questionnaire survey was conducted from July 3rd to August 2nd in 2014 at Showa University in Japan. A total of 406 respondents (2nd- to 6th-year students) were assessed as eligible. Group comparison was used to compare those who had attended a lecture about doping and those who had not. Most of the students only knew the word doping and had not attended a lecture on the subject, but 72% of them expressed a desire to attend one. Over half did not know that the most common doping violation in Japan is unintentional doping, and were unfamiliar with certain past cases of doping. In addition, 41% did not know that over-the-counter medicines and dietary supplements might contain prohibited substances, and 87% were unaware that names of prohibited substances might not appear on the ingredient labels of dietary supplements. In contrast, attending a lecture on doping was effective in facilitating the acquisition of all these types of knowledge. It is important to provide more opportunities for appropriate education of pharmacy students on the topic of doping, given that interest exists and attending a lecture on the topic appears to be useful. More education about doping for pharmacy students would be as effective for anti-doping activities as is education of athletes.

  3. Ultratough single crystal boron-doped diamond

    Science.gov (United States)

    Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC

    2015-05-05

    The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

  4. Moral entrepreneurship and doping cultures in sport

    NARCIS (Netherlands)

    Stokvis, R.

    2003-01-01

    In this article, the fight against doping has been analyzed as an ongoing process of social definition. It is dependent on the development of power relations within and outside the world of sport. To analyze these dependencies, I identified a variety of important doping cultures in sport and studied

  5. Synthesis, spectroscopy and simulation of doped nanocrystals

    NARCIS (Netherlands)

    Suyver, Jan Frederik

    2003-01-01

    This thesis deals with the properties of semiconductor nanocrystals (ZnS or ZnSe) in the size range (diameter) of 2 nm to 10 nm. The nanocrystals under investigation are doped with the transition metal ions manganese or copper. The goal is to study photoluminescence and electroluminescence from dope

  6. Moral entrepreneurship and doping cultures in sport

    NARCIS (Netherlands)

    Stokvis, R.

    2003-01-01

    In this article, the fight against doping has been analyzed as an ongoing process of social definition. It is dependent on the development of power relations within and outside the world of sport. To analyze these dependencies, I identified a variety of important doping cultures in sport and studied

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-10

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

  8. Chemisorption of CH2O on N-doped TiO2 anatase nanoparticle as modified nanostructure media: A DFT study

    Science.gov (United States)

    Abbasi, Amirali; Sardroodi, Jaber Jahanbin; Ebrahimzadeh, Alireza Rastkar

    2016-12-01

    The structural and electronic properties of N-doped TiO2 anatase nanoparticles and their effects on the adsorption of formaldehyde molecule have been investigated using the density functional theory computations. Given the need to better understand the behavior of the adsorbed CH2O molecule on the anatase nanoparticle, we report results of density functional theory studies of the N-doped nanoparticles, as well as complex systems consisting of the CH2O molecule bound to a TiO2 nanoparticle. N-doped nanoparticle was obtained by substitution of nitrogen atom of TiO2 instead of oxygen atom. Adsorptions of the CH2O molecule on the dangling oxygen atom, twofold coordinated oxygen atom and doped nitrogen atom sites of the pristine and N-doped anatase nanoparticles were investigated. The results presented include structural parameters such as adsorption energies, bond lengths and bond angles and electronic properties such as density of states, spin distribution densities and molecular orbitals. It was found that the adsorption of the CH2O molecule on the dangling oxygen of considered N-doped TiO2 anatase nanoparticles is energetically more favorable than the adsorption on the undoped ones. It means a more stable configuration compared to the undoped nanoparticle adsorption, but not as stable as the CH2O adsorption on the doped nitrogen site of N-doped nanoparticles.

  9. [Doping, sport and addiction--any links?].

    Science.gov (United States)

    Foucart, J; Verbanck, P; Lebrun, P

    2015-01-01

    Sport is widely encouraged as it is beneficial for health. However, high-performance sport is more and more associated to rather suspicious practices; doping is one of the best example. From a physician point of view, the use of doping agents is obviously a major concern because taking such products often induce serious adverse effects on health. The present manuscript aims to inform physicians about the most frequent doping practices. It also points out that intensive sport can generate an "addictive" behavior sharing with "common"addictions a loss of practice control, a lack of interest in other activities and even a sport's practice detrimental to athlete's health. Analysis of the doping issue needs to take this reality into account as some doping products display an established " addictive" effect.

  10. Molecular Plasmonics

    Science.gov (United States)

    Wilson, Andrew J.; Willets, Katherine A.

    2016-06-01

    In this review, we survey recent advances in the field of molecular plasmonics beyond the traditional sensing modality. Molecular plasmonics is explored in the context of the complex interaction between plasmon resonances and molecules and the ability of molecules to support plasmons self-consistently. First, spectroscopic changes induced by the interaction between molecular and plasmonic resonances are discussed, followed by examples of how tuning molecular properties leads to active molecular plasmonic systems. Next, the role of the position and polarizability of a molecular adsorbate on surface-enhanced Raman scattering signals is examined experimentally and theoretically. Finally, we introduce recent research focused on using molecules as plasmonic materials. Each of these examples is intended to highlight the role of molecules as integral components in coupled molecule-plasmon systems, as well as to show the diversity of applications in molecular plasmonics.

  11. Effects of doping concentration on properties of Mn-doped ZnO thin films

    Institute of Scientific and Technical Information of China (English)

    Gao Li; Zhang Jian-Min

    2009-01-01

    This paper reports that the radio frequency magnetron sputtering is used to fabricate ZnO and Mn-doped ZnO thin films on glass substrates at 500 ℃. The Mn-doped ZnO thin films present wurtzite structure of ZnO and have a smoother surface, better conductivity but no ferromagnetism. The x-ray photoelectron spectroscopy results show that the binding energy of Mn_(2p3/2) increases with increasing Mn content slightly, and the state of Mn in the Mn-doped ZnO thin films is divalent. The chemisorbed oxygen in the Mn-doped ZnO thin films increases with increasing Mn doping concentration. The photoluminescence spectra of ZnO and Mn-doped ZnO thin films have a similar ultraviolet emission. The yellow green emissions of 4 wt. % and 10 wt. % Mn-doped thin films are quenched, whereas the yellow green emission occurs because of abundant oxygen vacancies in the Mn-doped ZnO thin films after 20 wt. % Mn doping. Compared with pure ZnO thin film, the bandgap of the Mn-doped ZnO thin films increases with increasing Mn content.

  12. The importance of cooling of urine samples for doping analysis

    NARCIS (Netherlands)

    Kuenen, J. Gijs; Konings, Wil N.

    2010-01-01

    Storing and transporting of urine samples for doping analysis, as performed by the anti-doping organizations associated with the World Anti-Doping Agency, does not include a specific protocol for cooled transport from the place of urine sampling to the doping laboratory, although low cost cooling fa

  13. The importance of cooling of urine samples for doping analysis

    NARCIS (Netherlands)

    Kuenen, J.G.; Konings, W.N.

    2009-01-01

    Storing and transporting of urine samples for doping analysis, as performed by the anti-doping organizations associated with the World Anti-Doping Agency, does not include a specific protocol for cooled transport from the place of urine sampling to the doping laboratory, although low cost cooling fa

  14. Photocatalytic degradation of selected herbicides in aqueous suspensions of doped titania under visible light irradiation.

    Science.gov (United States)

    Sojić, Daniela V; Despotović, Vesna N; Abazović, Nadica D; Comor, Mirjana I; Abramović, Biljana F

    2010-07-15

    The aim of this work was to study the efficiency of Fe- and N-doped titania suspensions in the photocatalytic degradation of the herbicides RS-2-(4-chloro-o-tolyloxy)propionic acid (mecoprop, MCPP), (4-chloro-2-methylphenoxy)acetic acid (MCPA), and 3,6-dichloropyridine-2-carboxylic acid (clopyralid, CP) under the visible light (lambda > or = 400 nm) irradiation. The obtained results were compared with those of the corresponding undoped TiO(2) (rutile/anatase) and of the most frequently used TiO(2) Degussa P25. Computational modeling procedures were used to optimize geometry and molecular electrostatic potentials of MCPP, MCPA and CP and discuss the obtained results. The results indicate that the efficiency of photocatalytic degradation is greatly influenced by the molecular structure of the compound. Lowering of the band gap of titanium dioxide by doping is not always favorable for increasing photocatalytic efficiency of degradation.

  15. Photocatalytic degradation of selected herbicides in aqueous suspensions of doped titania under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Sojic, Daniela V., E-mail: daniela.sojic@dh.uns.ac.rs [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovica 3, 21000 Novi Sad (Serbia); Despotovic, Vesna N., E-mail: vesna.despotovic@dh.uns.ac.rs [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovica 3, 21000 Novi Sad (Serbia); Abazovic, Nadica D., E-mail: kiki@vinca.rs [Vinca Institute of Nuclear Sciences, 11001 Beograd, PO Box 522 (Serbia); Comor, Mirjana I., E-mail: mirjanac@vinca.rs [Vinca Institute of Nuclear Sciences, 11001 Beograd, PO Box 522 (Serbia); Abramovic, Biljana F., E-mail: biljana.abramovic@dh.uns.ac.rs [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovica 3, 21000 Novi Sad (Serbia)

    2010-07-15

    The aim of this work was to study the efficiency of Fe- and N-doped titania suspensions in the photocatalytic degradation of the herbicides RS-2-(4-chloro-o-tolyloxy)propionic acid (mecoprop, MCPP), (4-chloro-2-methylphenoxy)acetic acid (MCPA), and 3,6-dichloropyridine-2-carboxylic acid (clopyralid, CP) under the visible light ({lambda} {>=} 400 nm) irradiation. The obtained results were compared with those of the corresponding undoped TiO{sub 2} (rutile/anatase) and of the most frequently used TiO{sub 2} Degussa P25. Computational modeling procedures were used to optimize geometry and molecular electrostatic potentials of MCPP, MCPA and CP and discuss the obtained results. The results indicate that the efficiency of photocatalytic degradation is greatly influenced by the molecular structure of the compound. Lowering of the band gap of titanium dioxide by doping is not always favorable for increasing photocatalytic efficiency of degradation.

  16. Carbon doping of GaAs NWs

    Science.gov (United States)

    Salehzadeh Einabad, Omid

    Nanowires (NWs) have been proposed and demonstrated as the building blocks for nanoscale electronic and photonic devices such as NW field effect transistors and NW solar cells which rely on doping and trap-free carrier transport. Controlled doping of NWs and a high degree of structure and morphology control are required for device applications. However, doping of III-V nanowires such as GaAs nanowires has not been reported extensively in the literature. Carbon is a well known p-type dopant in planar GaAs due to its low diffusivity and high solubility in bulk GaAs; however its use as an intentional dopant in NW growth has not yet been investigated. In this work we studied the carbon doping of GaAs nanowires using CBr4 as the dopant source. Gold nanoparticles (NP) at the tip ofthe NWs have been used to drive the NW growth. We show that carbon doping suppresses the migration ofthe gold NPs from the tip of the NWs. In addition, we show that the carbon doping of GaAs NWs is accompanied by an increase of the axial growth rate and decrease of the lateral growth rate ofthe NWs. Carbon-doped GaAs NWs, unlike the undoped ones which are highly tapered, are rod-like. The origin of the observed morphological changes is attributed to the carbon adsorbates on the sidewalls ofthe nanowires which suppress the lateral growth of the nanowires and increase the diffusion length of the gallium adatoms on the sidewalls. Stacking fault formation consisting of alternating regIOns of zincblende and wurtzite structures has been commonly observed in NWs grown along the (111) direction. In this work, based on transmission electron microscopy (TEM) analysis, we show that carbon doping ofGaAs NWs eliminates the stacking fault formation. Raman spectroscopy was used to investigate the effects of carbon doping on the vibrational properties of the carbon-doped GaAs nanowires. Carbon doping shows a strong impact on the intrinsic longitudinal and transverse optical (La and TO) modes of the Ga

  17. Detonation nanodiamonds for doping Kevlar.

    Science.gov (United States)

    Comet, Marc; Pichot, Vincent; Siegert, Benny; Britz, Fabienne; Spitzer, Denis

    2010-07-01

    This paper reports on the first attempt to enclose diamond nanoparticles--produced by detonation--into a Kevlar matrix. A nanocomposite material (40 wt% diamond) was prepared by precipitation from an acidic solution of Kevlar containing dispersed nanodiamonds. In this material, the diamond nanoparticles (Ø = 4 nm) are entirely wrapped in a Kevlar layer about 1 nm thick. In order to understand the interactions between the nanodiamond surface and the polymer, the oxygenated surface functional groups of nanodiamond were identified and titrated by Boehm's method which revealed the exclusive presence of carboxyl groups (0.85 sites per nm2). The hydrogen interactions between these groups and the amide groups of Kevlar destroy the "rod-like" structure and the classical three-dimensional organization of this polymer. The distortion of Kevlar macromolecules allows the wrapping of nanodiamonds and leads to submicrometric assemblies, giving a cauliflower structure reminding a fractal object. Due to this structure, the macroscopic hardness of Kevlar doped by nanodiamonds (1.03 GPa) is smaller than the one of pure Kevlar (2.31 GPa). To our knowledge, this result is the first illustration of the change of the mechanical properties induced by doping the Kevlar with nanoparticles.

  18. Planar doped barrier subharmonic mixers

    Science.gov (United States)

    Lee, T. H.; East, J. R.; Haddad, G. I.

    1992-01-01

    The Planar Doped Barrier (PDB) diode is a device consisting of a p(+) doping spike between two intrinsic layers and n(+) ohmic contacts. This device has the advantages of controllable barrier height, diode capacitance and forward to reverse current ratio. A symmetrically designed PDB has an anti-symmetric current vs. voltage characteristic and is ideal for use as millimeter wave subharmonic mixers. We have fabricated such devices with barrier heights of 0.3, 0.5 and 0.7 volts from GaAs and InGaAs using a multijunction honeycomb structure with junction diameters between one and ten microns. Initial RF measurements are encouraging. The 0.7 volt barrier height 4 micron GaAs devices were tested as subharmonic mixers at 202 GHz with an IF frequency of 1 GHz and had 18 dB of conversion loss. The estimated mismatch loss was 7 dB and was due to higher diode capacitance. The LO frequency was 100.5 GHz and the pump power was 8 mW.

  19. Influence of samaria doping on the resistance of ceria thin films and its implications to the planar oxygen sensing devices

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Shilpi; Kuchibhatla, Satyanarayana V N T; Engelhard, Mark H.; Shutthanandan, V.; Nachimuthu, Ponnusamy; Jiang, Weilin; Saraf, Laxmikant V.; Thevuthasan, Suntharampillai; Prasad, Shalini

    2009-05-27

    In order to evaluate and analyze the effect of samarium (Sm) doping on the resistance of cerium oxide, we have grown highly oriented samaria doped ceria (SDC) thin films on sapphire, Al2O3 (0001) substrates by using oxygen plasma-assisted molecular beam epitaxy (OPA-MBE). The film growth was monitored using reflection high-energy electron diffraction (RHEED) which shows two-dimensional growth throughout the deposition. Following growth, the thin films were characterized by X-ray photoelectron spectroscopy (XPS), high-resolution X-ray diffraction (HRXRD), and Rutherford backscattering spectrometry (RBS). XPS depth-profile shows Sm atoms are uniformly distributed in ceria lattice throughout the bulk of the film. The valence states of Ce and Sm in doped thin films are found to be Ce4+ and Sm3+, respectively. HRXRD shows the samaria doped ceria films on Al2O3(0001) exhibit (111) preferred orientation. Ion-channeling in RBS measurements confirms high quality of the thin films. The resistance of the samaria doped ceria films, obtained by two probe measurement capability under various oxygen pressure (1mTorr-100Torr) and temperatures (623K to 973K), is significantly lower than that of pure ceria under same conditions. The 6Sm% doped ceria film is the optimum composition for highest conductivity. This is attributed to the increased oxygen vacant sites in fluorite crystal structure of the epitaxial thin films which facilitate faster oxygen diffusion through hopping process.

  20. Early dynamics of guest-host interaction in dye-doped liquid crystalline materials.

    Science.gov (United States)

    Truong, Thai V; Xu, Lei; Shen, Y R

    2003-05-16

    We have studied in detail the early dynamics of laser-induced molecular reorientation in a dye-doped liquid crystalline (LC) medium that exhibits a significant enhancement of the optical Kerr nonlinearity due to guest-host interaction. Experimental results agree quantitatively with theory based on a model in which the anisotropic dye excitation helps reorient the LC molecules through a mean-field intermolecular interaction.

  1. Empathic and Self-Regulatory Processes Governing Doping Behavior

    Directory of Open Access Journals (Sweden)

    Ian D. Boardley

    2017-09-01

    Full Text Available Evidence associating doping behavior with moral disengagement (MD has accumulated over recent years. However, to date, research examining links between MD and doping has not considered key theoretically grounded influences and outcomes of MD. As such, there is a need for quantitative research in relevant populations that purposefully examines the explanatory pathways through which MD is thought to operate. Toward this end, the current study examined a conceptually grounded model of doping behavior that incorporated empathy, doping self-regulatory efficacy (SRE, doping MD, anticipated guilt and self-reported doping/doping susceptibility. Participants were specifically recruited to represent four key physical-activity contexts and consisted of team- (n = 195 and individual- (n = 169 sport athletes and hardcore- (n = 125 and corporate- (n = 121 gym exercisers representing both genders (nmale = 371; nfemale = 239; self-reported lifetime prevalence of doping across the sample was 13.6%. Each participant completed questionnaires assessing the aforementioned variables. Structural equation modeling indicated strong support for all study hypotheses. Specifically, we established: (a empathy and doping SRE negatively predicted reported doping; (b the predictive effects of empathy and doping SRE on reported doping were mediated by doping MD and anticipated guilt; (c doping MD positively predicted reported doping; (d the predictive effects of doping MD on reported doping were partially mediated by anticipated guilt. Substituting self-reported doping for doping susceptibility, multisample analyses then demonstrated these predictive effects were largely invariant between males and females and across the four physical-activity contexts represented. These findings extend current knowledge on a number of levels, and in doing so aid our understanding of key psychosocial processes that may govern doping behavior across key physical-activity contexts.

  2. Ce-doped titania nanoparticles: The effects of doped amount and calcination temperature on photocatalytic activity

    Science.gov (United States)

    Shi, Jianwen; Zou, Yajun; Ma, Dandan

    2017-01-01

    A series of Ce-doped TiO2 nanoparticles with different doped amount and calcination temperature were prepared by sol-gel method. These obtained samples were characterized with X-ray diffraction (XRD), transmission electron microscope (TEM) and ultraviolet-visible diffuse reflectance spectra (DRS), and their photocatalytic activities were evaluated by the photocatalytic degradation of methyl orange. Results showed that Ce doping inhibits the growth of crystal size and the phase transformation from anatase to rutile, leads to lattice distortion and expansion of TiO2. Furthermore, Ce doping brings the red-shift of absorption profile and the increase of photons absorption in the range of 400-600 nm. Photocatalytic degradation of methyl orange shows that Ce doping improves the photocatalytic activity of TiO2. The optimal doped amount is 0.05 mol% and the optimal calcined temperature is 600 °C for the maximum photocatalytic degradation efficiency in our experiment.

  3. Distinct metal-exchange pathways of doped Ag25 nanoclusters

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2016-09-09

    Atomically precise metal nanoclusters (NCs) containing more than one type of metal atom (i.e., doped or alloyed), due to synergistic effects, open new avenues for engineering the catalytic and optical properties of NCs in a manner that homometal NCs cannot. Unfortunately, it is still a major challenge to controllably introduce multimetallic dopants in NCs, understanding the dopants\\' positions, mechanism, and synergistic effects. To overcome these challenges, we designed a metal-exchange approach involving NCs as molecular templates and metal ions as the source of the incoming dopant. In particular, two structurally similar monodoped silver-rich NCs, [MAg24(SR)(18)](2-) (M = Pd/Pt and SR: thiolate), were synthesized as templates to study their mechanistic transformation in response to the introduction of gold atoms. The controllable incorporation of Au atoms into the MAg24 framework facilitated the elucidation of distinct doping pathways through high-resolution mass spectrometry, optical spectroscopy and elemental analysis. Interestingly, gold replaced the central Pd atom of [PdAg24(SR)(18)](2-) clusters to produce predominantly bimetallic [AuAg24(SR)(18)](-) clusters along with a minor product of an [Au2Ag23(SR)(18)](-) cluster. In contrast, the central Pt atom remained intact in [PtAg24(SR)(18)](2-) clusters, and gold replaced the noncentral Ag atoms to form trimetallic [AuxPtAg24-x(SR)(18)](2-) NCs, where x = 1-2, with a portion of the starting [PtAg24(SR)(18)](2-) NCs remaining. This study reveals some of the unusual metal-exchange pathways of doped NCs and the important role played by the initial metal dopant in directing the position of a second dopant in the final product.

  4. Molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Ladd, A.J.C.

    1988-08-01

    The basic methodology of equilibrium molecular dynamics is described. Examples from the literature are used to illustrate how molecular dynamics has been used to resolve theoretical controversies, provide data to test theories, and occasionally to discover new phenomena. The emphasis is on the application of molecular dynamics to an understanding of the microscopic physics underlying the transport properties of simple fluids. 98 refs., 4 figs.

  5. Molecular pharmacognosy

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    This article analyzes the background and significance of molecular pharmacognosy,including the molecular identification of medicinal raw materials,phylogenetic evolution of medicinal plants and animals,evaluation and preservation of germplasm resources for medicinal plants and animals,etiology of endangerment and protection of endangered medicinal plants and animals,biosynthesis and bioregulation of active components in medicinal plants,and characteristics and the molecular bases of top-geoherbs.

  6. Molecular Spintronics

    OpenAIRE

    Shiraishi, Masashi; Ikoma, Tadaaki

    2011-01-01

    Molecular spintronics is recognized to as an attractive new research direction in a field of spintronics, following to metallic spintronics and inorganic semiconductor spintronics, and attracts many people in recent decades. The purpose of this manuscript is to describe the history of molecular spintronics by introducing important achievements and to show the current status of this field. In addition, the authors briefly introduce several theories for implementing studies in molecular spintro...

  7. Gene doping: the hype and the harm.

    Science.gov (United States)

    McKanna, Trudy A; Toriello, Helga V

    2010-06-01

    "Gene doping" is the term used to describe the potential abuse of gene therapy as a performance-enhancing agent. Gene doping would apply the techniques used in gene therapy to provide altered expression of genes that would promote physical superiority. For example, insulin-like growth factor 1 (IGF-1) is a primary target for growth hormone; overexpression of IGF-1 can lead to increased muscle mass and power. Although gene doping is still largely theoretical, its implications for sports, health, ethics, and medical genetics are significant.

  8. Alternative medicine and doping in sports

    Directory of Open Access Journals (Sweden)

    Benjamin Koh

    2012-01-01

    Full Text Available Athletes are high achievers who may seek creative or unconventional methods to improve performance. The literature indicates that athletes are among the heaviest users of complementary and alternative medicine (CAM and thus may pioneer population trends in CAM use. Unlike non-athletes, athletes may use CAM not just for prevention, treatment or rehabilitation from illness or injuries, but also for performance enhancement. Assuming that athletes’ creative use of anything unconventional is aimed at “legally” improving performance, CAM may be used because it is perceived as more “natural” and erroneously assumed as not potentially doping. This failure to recognise CAMs as pharmacological agents puts athletes at risk of inadvertent doping.The general position of the World Anti-Doping Authority (WADA is one of strict liability, an application of the legal proposition that ignorance is no excuse and the ultimate responsibility is on the athlete to ensure at all times whatever is swallowed, injected or applied to the athlete is both safe and legal for use. This means that a violation occurs whether or not the athlete intentionally or unintentionally, knowingly or unknowingly, used a prohibited substance/method or was negligent or otherwise at fault. Athletes are therefore expected to understand not only what is prohibited, but also what might potentially cause an inadvertent doping violation. Yet, as will be discussed, athlete knowledge on doping is deficient and WADA itself sometimes changes its position on prohibited methods or substances. The situation is further confounded by the conflicting stance of anti-doping experts in the media. These highly publicised disagreements may further portray inconsistencies in anti-doping guidelines and suggest to athletes that what is considered doping is dependent on the dominant political zeitgeist. Taken together, athletes may believe that unless a specific and explicit ruling is made, guidelines are

  9. Transmutation doping of silicon solar cells

    Science.gov (United States)

    Wood, R. F.; Westbrook, R. D.; Young, R. T.; Cleland, J. W.

    1977-01-01

    Normal isotopic silicon contains 3.05% of Si-30 which transmutes to P-31 after thermal neutron absorption, with a half-life of 2.6 hours. This reaction is used to introduce extremely uniform concentrations of phosphorus into silicon, thus eliminating the areal and spatial inhomogeneities characteristic of chemical doping. Annealing of the lattice damage in the irradiated silicon does not alter the uniformity of dopant distribution. Transmutation doping also makes it possible to introduce phosphorus into polycrystalline silicon without segregation of the dopant at the grain boundaries. The use of neutron transmutation doped (NTD) silicon in solar cell research and development is discussed.

  10. Double Clad Er-doped Fiber Amplifier

    Institute of Scientific and Technical Information of China (English)

    FU Yong-jun; MAO Xiang-qiao; WEI Huai; LI jian

    2007-01-01

    Presented is a theoretical study of double-clad Er-doped fiber power amplifier(EDFA). Two kinds of double clad fibers(DCF) with rectangular and "flower" inner clad shapes are studied, and these fibers have different coupling constants and propagation losses. We calculate the effective pump power absorption ratio along the fiber with different coupling constants from the first cladding to the doped core and with different propagation losses for the power in the inner cladding. Then the gains of the double clad Er-doped fiber amplifiers versus fiber lengths are calculated using the EDFA model based on propagation and rate equations of a homogeneous, two-level medium.

  11. Nanosized alkali-metal-doped ethoxotitanate clusters.

    Science.gov (United States)

    Chen, Yang; Trzop, Elzbieta; Makal, Anna; Sokolow, Jesse D; Coppens, Philip

    2013-05-06

    The synthesis and crystallographic characterization of alkali-metal-doped ethoxotitanate clusters with 28 and 29 Ti atoms as well as a new dopant-free Ti28 cluster are presented. The light-metal-doped polyoxotitanate clusters in which the alkali-metal atom is the critical structure-determining component are the largest synthesized so far. Calculations show that doping with light alkali atoms narrows the band gap compared with the nondoped crystals but does not introduce additional energy levels within the band gap.

  12. Alternative medicine and doping in sports.

    Science.gov (United States)

    Koh, Benjamin; Freeman, Lynne; Zaslawski, Christopher

    2012-01-01

    Athletes are high achievers who may seek creative or unconventional methods to improve performance. The literature indicates that athletes are among the heaviest users of complementary and alternative medicine (CAM) and thus may pioneer population trends in CAM use. Unlike non-athletes, athletes may use CAM not just for prevention, treatment or rehabilitation from illness or injuries, but also for performance enhancement. Assuming that athletes' creative use of anything unconventional is aimed at "legally" improving performance, CAM may be used because it is perceived as more "natural" and erroneously assumed as not potentially doping. This failure to recognise CAMs as pharmacological agents puts athletes at risk of inadvertent doping.The general position of the World Anti-Doping Authority (WADA) is one of strict liability, an application of the legal proposition that ignorance is no excuse and the ultimate responsibility is on the athlete to ensure at all times whatever is swallowed, injected or applied to the athlete is both safe and legal for use. This means that a violation occurs whether or not the athlete intentionally or unintentionally, knowingly or unknowingly, used a prohibited substance/method or was negligent or otherwise at fault. Athletes are therefore expected to understand not only what is prohibited, but also what might potentially cause an inadvertent doping violation. Yet, as will be discussed, athlete knowledge on doping is deficient and WADA itself sometimes changes its position on prohibited methods or substances. The situation is further confounded by the conflicting stance of anti-doping experts in the media. These highly publicised disagreements may further portray inconsistencies in anti-doping guidelines and suggest to athletes that what is considered doping is dependent on the dominant political zeitgeist. Taken together, athletes may believe that unless a specific and explicit ruling is made, guidelines are open to interpretation

  13. Gas Immersion Laser Doping for superconducting nanodevices

    Energy Technology Data Exchange (ETDEWEB)

    Chiodi, F. [Institut d’Electronique Fondamentale, CNRS-Université Paris-Sud, F-91405 Orsay (France); Grockowiak, A. [Institut Néel, CNRS, BP 166, F-38042 Grenoble (France); CEA, INAC, UMR-E9001/UJF, LATEQS, 17 Rue des Martyrs, F-38054 Grenoble (France); Duvauchelle, J.E. [CEA, INAC, UMR-E9001/UJF, LATEQS, 17 Rue des Martyrs, F-38054 Grenoble (France); Fossard, F. [Institut d’Electronique Fondamentale, CNRS-Université Paris-Sud, F-91405 Orsay (France); Lefloch, F. [CEA, INAC, UMR-E9001/UJF, LATEQS, 17 Rue des Martyrs, F-38054 Grenoble (France); Klein, T. [Institut Néel, CNRS, BP 166, F-38042 Grenoble (France); Marcenat, C. [CEA, INAC, UMR-E9001/UJF, LATEQS, 17 Rue des Martyrs, F-38054 Grenoble (France); Institut Néel, CNRS, BP 166, F-38042 Grenoble (France); Débarre, D. [Institut d’Electronique Fondamentale, CNRS-Université Paris-Sud, F-91405 Orsay (France)

    2014-05-01

    We have conceived and fabricated Superconductor/Normal metal/Superconductor Josephson junctions made entirely of boron doped Silicon. We have used Gas Immersion Laser Doping to fabricate SN bilayers with good ohmic interfaces and well controlled concentration and doping depth. Standard fabrication processes, optimised for silicon, were employed to nanostructure the bilayers without affecting their transport properties. The junctions thus fabricated are proximity superconducting and show well understood I–V characteristics. This research opens the road to all-silicon, non-dissipative, Josephson Field Effect Transistors.

  14. Facile preparation of nitrogen-doped hierarchical porous carbon with high performance in supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Kun [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); Kong, Ling-Bin, E-mail: konglb@lut.cn [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China); Shen, Kui-Wen; Dai, Yan-Hua; Shi, Ming; Hu, Bing [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); Luo, Yong-Chun; Kang, Long [School of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China)

    2016-02-28

    Graphical abstract: Preparing and activating process of nitrogen-doped hierarchical porous carbon (NHPC). - Highlights: • The well-defined PAN-b-PMMA copolymer was synthesized by atom transfer radical polymerization with narrow molecular weight distribution. • Nitrogen-doped hierarchical porous structure (NHPC) was prepared through a simple carbonization procedure of PAN-b-PMMA precursor. • NHPC possessed hierarchical porous structure with high BET surface area of 257 m{sup 2} g{sup −1} and DFT mesopore size of 14.61 nm. • Effects of activation conditions on supercapacitive behavior were systematically studied. - Abstract: The nitrogen-doped hierarchical porous carbon (NHPC) material was successfully prepared through a simple carbonization procedure of well-defined diblock copolymer precursor containing nitrogen-enriched carbon source, i.e., polyacrylonitrile (PAN), and asacrificial block, i.e., polymethylmethacrylate (PMMA). PAN-b-PMMA diblock copolymer was synthesized by atom transfer radical polymeriation (ATRP) with narrow molecular weight distribution. The as-obtained NHPC possessed nitrogen-doped hierarchical porous structure with high BET surface area of 257 m{sup 2} g{sup −1} and Nonlocal density functional theory (NLDFT) mesopore size of 14.61 nm. Surface activated nitrogen-doped hierarchical porous carbon (A-NHPC) materials were obtained by subsequent surface activation with HNO{sub 3} solution. The effects of activation conditions on supercapacitive behavior were systematically studied, a maximum specific capacitance of 314 F g{sup −1} at a current density of 0.5 A g{sup −1} was achieved in 2 M KOH aqueous electrolyte. Simultaneously, it exhibited excellent rate capability of 67.8% capacitance retention as the current density increased from 0.5 to 20 A g{sup −1} and superior cycling performance of 90% capacitance retention after 10,000 cycles at the current density of 2 A g{sup −1}.

  15. Luminescent dye-doped or rare-earth-doped monodisperse silica nanospheres as efficient labels in DNA microarrays

    Science.gov (United States)

    Enrichi, F.; Riccò, R.; Meneghello, A.; Pierobon, R.; Marinello, F.; Schiavuta, P.

    2009-08-01

    Luminescent nanoparticles are gaining more and more interest in bio-labeling and bio-imaging applications, like for example DNA microarray. This is a high-throughput technology used for detection and quantification of nucleic acid molecules and other ones of biological interest. The analysis is resulting by specific hybridization between probe sequences deposited in array and a target ss-DNA usually expressed by PCR and functionalized by a fluorescent dye. These organic labels have well known disadvantages like photobleaching and limited sensitivity. Quantum dots may be used as alternatives, but they present troubles like blinking, toxicity and excitation wavelengths out of the usual range of commercial instruments, lowering their efficiency. Therefore in this work we investigate a different strategy, based on the use of inorganic silica nanospheres incorporating standard luminescent dyes or rare earth doped nanocrystals. In the first case it is possible to obtain a high luminescence emission signal, due to the high number of dye molecules that can be accommodated into each nanoparticle, reduced photobleaching and environmental protection of the dye molecules thanks to the encapsulation in the silica matrix. In the second case, rare earths exhibit narrow emission bands (easy identification), large Stokes shifts (efficient discrimination of excitation and emission) and long luminescence lifetimes (possibility to perform time-delayed analysis) which can be efficiently used for the improvement of signal to noise ratio. The synthesis and characterization of good luminescent silica spheres either by organic dye-doping or by rare-earth-doping are investigated and reported. Moreover, their application in the DNA microarray technology in comparison to the use of standard molecular fluorophores or commercial quantum dots is discussed. The cheap and easy synthesis of these luminescent particles, the stability in water, the surface functionalization and bio

  16. Magnetic endohedral transition-metal-doped semiconducting-nanoclusters.

    Science.gov (United States)

    Matxain, Jon M; Formoso, Elena; Mercero, Jose M; Piris, Mario; Lopez, Xabier; Ugalde, Jesus M

    2008-01-01

    Endohedral first-row transition-metal-doped TM@Zn(i)S(i) nanoclusters, in which TM stands for the first-row transition-metals from Sc to Zn, and i=12, 16, have been characterized. In these structures the dopant metals are trapped inside spheroidal hollow semiconducting nanoclusters. It is observed that some of the transition metals are trapped in the center of mass of the cluster, whereas others are found to be displaced from that center, leading to structures in which the transition metals display a complex dynamical behavior upon encapsulation. This fact was confirmed by quantum molecular dynamics calculations, which further confirmed the thermal stability of endohedral compounds. In the endohedrally-doped nanoclusters in which the transition-metal atom sits on the center of mass, the host hollow cluster structure remains undistorted after dopant encapsulation. Conversely, if the encapsulated transition-metal atom is displaced from the center of mass, the host hollow cluster structure suffers a very tiny distortion. Additionally, it is found that there is negligible charge transfer between the dopant transition-metal atom and its hollow cluster host and, after encapsulation, the spin densities remain localized on the transition-metal atom. This allows for the atomic-like behavior of the trapped transition-metal atom, which gives rise to their atomic-like magnetic properties. The encapsulation free energies are negative, suggesting that these compounds are thermodynamically stable.

  17. Piezoresistive boron doped diamond nanowire

    Science.gov (United States)

    Sumant, Anirudha V.; Wang, Xinpeng

    2016-09-13

    A UNCD nanowire comprises a first end electrically coupled to a first contact pad which is disposed on a substrate. A second end is electrically coupled to a second contact pad also disposed on the substrate. The UNCD nanowire is doped with a dopant and disposed over the substrate. The UNCD nanowire is movable between a first configuration in which no force is exerted on the UNCD nanowire and a second configuration in which the UNCD nanowire bends about the first end and the second end in response to a force. The UNCD nanowire has a first resistance in the first configuration and a second resistance in the second configuration which is different from the first resistance. The UNCD nanowire is structured to have a gauge factor of at least about 70, for example, in the range of about 70 to about 1,800.

  18. Piezoresistive boron doped diamond nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Sumant, Anirudha V.; Wang, Xinpeng

    2017-07-04

    A UNCD nanowire comprises a first end electrically coupled to a first contact pad which is disposed on a substrate. A second end is electrically coupled to a second contact pad also disposed on the substrate. The UNCD nanowire is doped with a dopant and disposed over the substrate. The UNCD nanowire is movable between a first configuration in which no force is exerted on the UNCD nanowire and a second configuration in which the UNCD nanowire bends about the first end and the second end in response to a force. The UNCD nanowire has a first resistance in the first configuration and a second resistance in the second configuration which is different from the first resistance. The UNCD nanowire is structured to have a gauge factor of at least about 70, for example, in the range of about 70 to about 1,800.

  19. Ion Doped Quantum Well Lasers

    Science.gov (United States)

    1993-04-01

    5 3 TGA analysis of {N[Si(CH3)312)3Er ................................. 5 4 Spectroscopic analysis of {N[Si(CH3)3]2)3Er...40o 56o 6oo TEMPERATURE (-C) Figure 3 TGA analysis of Er{NISi(CH3)3J]J 3 . CHEMICAL VAPOR DEPOSITION As the objective of this work is to dope A1GaAs...laO0 23633 47.870C 99.37% 1,14.84*C s00, • 95.212 173.75C 90.622 EI 800.77C 20- 60- 2o256. tC 0 i9o 360 460 560 600 TEMPERATURE (’C) Figure 3 TGA

  20. Screening dynamics in doped titanates

    Energy Technology Data Exchange (ETDEWEB)

    Rubensson, J.E.; Luening, J.; Eisebitt, S. [Forschungszentrum Juelich (Germany)] [and others

    1997-04-01

    The time scale for carrier relaxation in semiconductors is on the same order of magnitude as the life time of shallow core hole states (a few femtoseconds). Resonant Inelastic soft X-ray scattering (RIXS) which involves (virtual) excitations of core levels consequently contains information about the time development of the electronic structure on this time scale. In many cases one can treat the scattering in an absorption (SXA) followed-by-emission (SXE) picture, where simply the rates for various processes can be compared with the intermediate core hole state decay rate as an internal {open_quotes}clock{close_quotes}. By variation of x (0 < x < 1) in La{sub x}Sr{sub 1{minus}x}TiO{sub 3}, the amount of Ti d electrons in the system can be controlled. SrTiO{sub 3} (x=0) is an insulator with an empty Ti d band. With increasing x, electrons are doped into the Ti d-band, and LaTiO{sub 3} (x=1) is a Mott Hubbard insulator with a Ti 3d{sup 1} configuration. In this work the authors demonstrate that the rate for Ti 2p core hole screening in La{sub x}Sr{sub 1{minus}x}TiO{sub 3} is doping dependent. The screening rate increases with the availability of Ti 3d electrons, and they estimate it to be 3.8 x 10{sup 13}/sec in La{sub 0.05}Sr{sub 0.95}TiO{sub 3}.

  1. Reflectance-difference spectroscopy as an optical probe for in situ determination of doping levels in GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Lastras-Martinez, A.; Lara-Velazquez, I.; Balderas-Navarro, R.E.; Ortega-Gallegos, J.; Guel-Sandoval, S.; Lastras-Martinez, L.F. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, San Luis Potosi, SLP 78000 (Mexico)

    2008-07-01

    We report on in situ Reflectance Difference Spectroscopy measurements carried out on GaAs(001). Measurements were performed at temperatures of 580 C and 430 C, in both n and p-type doped films and for both (2 x 4) and c(4 x 4) reconstructions. Samples employed were grown by Molecular Beam Epitaxy with doping levels in the range from 10{sup 16}-10{sup 19} cm{sup -3}. We demonstrate the potential of Reflectance Difference Spectroscopy for impurity level determinations under growth conditions. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Molecular dynamics

    NARCIS (Netherlands)

    Bergstra, J.A.; Bethke, I.

    2002-01-01

    Molecular dynamics is a model for the structure and meaning of object based programming systems. In molecular dynamics the memory state of a system is modeled as a fluid consisting of a collection of molecules. Each molecule is a collection of atoms with bindings between them. A computation is model

  3. Doped Colloidal ZnO Nanocrystals

    Directory of Open Access Journals (Sweden)

    Yizheng Jin

    2012-01-01

    Full Text Available Colloidal ZnO nanocrystals are promising for a wide range of applications due to the combination of unique multifunctional nature and remarkable solution processability. Doping is an effective approach of enhancing the properties of colloidal ZnO nanocrystals in well-controlled manners. In this paper, we analyzed two synthetic strategies for the doped colloidal ZnO nanocrystals, emphasizing our understanding on the critical factors associated with the high temperature and nonaqueous approach. Latest advances of three topics, bandgap engineering, n-type doping, and dilute magnetic semiconductors related to doped ZnO nanocrystals were discussed to reveal the effects of dopants on the properties of the nanocrystalline materials.

  4. [High-performance society and doping].

    Science.gov (United States)

    Gallien, C L

    2002-09-01

    Doping is not limited to high-level athletes. Likewise it is not limited to the field of sports activities. The doping phenomenon observed in sports actually reveals an underlying question concerning the notion of sports itself, and more widely, the society's conception of sports. In a high-performance society, which is also a high-risk society, doping behavior is observed in a large number of persons who may or may not participate in sports activities. The motivation is the search for individual success or profit. The fight against doping must therefore focus on individual responsibility and prevention in order to preserve athlete's health and maintain the ethical and educational value of sports activities.

  5. The moral disengagement in doping scale

    DEFF Research Database (Denmark)

    Kavussanu, Maria; Hatzigeorgiadis, Antonis; Elbe, Anne-Marie

    2016-01-01

    from a variety of team sports (N = 398) completed the Moral Disengagement in Doping Scale (MDDS). In Study 2, team sport athletes (N = 232) completed the MDDS and questionnaires measuring moral disengagement in sport, doping attitudes, moral identity, antisocial sport behavior, situational doping...... to use a banned substance in a hypothetical situation. Results The results of Study 1 showed that one-factor model fitted the data well, and the scale showed measurement invariance across males and females. In Study 2, we provided evidence for convergent, concurrent, discriminant, and predictive validity......, as well as test-rest reliability, of the scale. In Study 3, doping moral disengagement was positively related with reported likelihood and temptation to use a banned substance. The scale exhibited very good internal consistency across the three studies. Conclusions In conclusion, the MDDS can be used...

  6. Statistical transmutation in doped quantum dimer models.

    Science.gov (United States)

    Lamas, C A; Ralko, A; Cabra, D C; Poilblanc, D; Pujol, P

    2012-07-06

    We prove a "statistical transmutation" symmetry of doped quantum dimer models on the square, triangular, and kagome lattices: the energy spectrum is invariant under a simultaneous change of statistics (i.e., bosonic into fermionic or vice versa) of the holes and of the signs of all the dimer resonance loops. This exact transformation enables us to define the duality equivalence between doped quantum dimer Hamiltonians and provides the analytic framework to analyze dynamical statistical transmutations. We investigate numerically the doping of the triangular quantum dimer model with special focus on the topological Z(2) dimer liquid. Doping leads to four (instead of two for the square lattice) inequivalent families of Hamiltonians. Competition between phase separation, superfluidity, supersolidity, and fermionic phases is investigated in the four families.

  7. Stabilization of boron carbide via silicon doping.

    Science.gov (United States)

    Proctor, J E; Bhakhri, V; Hao, R; Prior, T J; Scheler, T; Gregoryanz, E; Chhowalla, M; Giulani, F

    2015-01-14

    Boron carbide is one of the lightest and hardest ceramics, but its applications are limited by its poor stability against a partial phase separation into separate boron and carbon. Phase separation is observed under high non-hydrostatic stress (both static and dynamic), resulting in amorphization. The phase separation is thought to occur in just one of the many naturally occurring polytypes in the material, and this raises the possibility of doping the boron carbide to eliminate this polytype. In this work, we have synthesized boron carbide doped with silicon. We have conducted a series of characterizations (transmission electron microscopy, scanning electron microscopy, Raman spectroscopy and x-ray diffraction) on pure and silicon-doped boron carbide following static compression to 50 GPa non-hydrostatic pressure. We find that the level of amorphization under static non-hydrostatic pressure is drastically reduced by the silicon doping.

  8. Superconductivity in carrier-doped silicon carbide

    Directory of Open Access Journals (Sweden)

    Takahiro Muranaka, Yoshitake Kikuchi, Taku Yoshizawa, Naoki Shirakawa and Jun Akimitsu

    2008-01-01

    Full Text Available We report growth and characterization of heavily boron-doped 3C-SiC and 6H-SiC and Al-doped 3C-SiC. Both 3C-SiC:B and 6H-SiC:B reveal type-I superconductivity with a critical temperature Tc=1.5 K. On the other hand, Al-doped 3C-SiC (3C-SiC:Al shows type-II superconductivity with Tc=1.4 K. Both SiC:Al and SiC:B exhibit zero resistivity and diamagnetic susceptibility below Tc with effective hole-carrier concentration n higher than 1020 cm−3. We interpret the different superconducting behavior in carrier-doped p-type semiconductors SiC:Al, SiC:B, Si:B and C:B in terms of the different ionization energies of their acceptors.

  9. Active Optical Fibers Doped with Ceramic Nanocrystals

    Directory of Open Access Journals (Sweden)

    Jan Mrazek

    2014-01-01

    Full Text Available Erbium-doped active optical fiber was successfully prepared by incorporation of ceramic nanocrystals inside a core of optical fiber. Modified chemical vapor deposition was combined with solution-doping approach to preparing preform. Instead of inorganic salts erbium-doped yttrium-aluminium garnet nanocrystals were used in the solution-doping process. Prepared preform was drawn into single-mode optical fiber with a numerical aperture 0.167. Optical and luminescence properties of the fiber were analyzed. Lasing ability of prepared fiber was proofed in a fiber-ring set-up. Optimal laser properties were achieved for a fiber length of 20~m. The slope efficiency of the fiber-laser was about 15%. Presented method can be simply extended to the deposition of other ceramic nanomaterials.

  10. Sprayed lanthanum doped zinc oxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Bouznit, Y., E-mail: Bouznit80@gmail.com [Laboratory of Materials Study, Jijel University, Jijel 18000 (Algeria); Beggah, Y. [Laboratory of Materials Study, Jijel University, Jijel 18000 (Algeria); Ynineb, F. [Laboratory of Thin Films and Interface, University Mentouri, Constantine 25000 (Algeria)

    2012-01-15

    Lanthanum doped zinc oxide thin films were deposited on soda-lime glass substrates using a pneumatic spray pyrolysis technique. The films were prepared using different lanthanum concentrations at optimum deposition parameters. We studied the variations in structural, morphological and optical properties of the samples due to the change of doping concentration in precursor solutions. X-ray diffraction (XRD) patterns show that pure and La-doped ZnO thin films are highly textured along c-axis perpendicular to the surface of the substrate. Scanning electron micrographs show that surface morphology of ZnO films undergoes a significant change according to lanthanum doping. All films exhibit a transmittance higher than 80% in the visible region.

  11. Sprayed lanthanum doped zinc oxide thin films

    Science.gov (United States)

    Bouznit, Y.; Beggah, Y.; Ynineb, F.

    2012-01-01

    Lanthanum doped zinc oxide thin films were deposited on soda-lime glass substrates using a pneumatic spray pyrolysis technique. The films were prepared using different lanthanum concentrations at optimum deposition parameters. We studied the variations in structural, morphological and optical properties of the samples due to the change of doping concentration in precursor solutions. X-ray diffraction (XRD) patterns show that pure and La-doped ZnO thin films are highly textured along c-axis perpendicular to the surface of the substrate. Scanning electron micrographs show that surface morphology of ZnO films undergoes a significant change according to lanthanum doping. All films exhibit a transmittance higher than 80% in the visible region.

  12. Doping Scheme of Semiconducting Atomic Chains

    Science.gov (United States)

    Toshishige, Yamada; Saini, Subhash (Technical Monitor)

    1998-01-01

    Atomic chains, precise structures of atomic scale created on an atomically regulated substrate surface, are candidates for future electronics. A doping scheme for intrinsic semiconducting Mg chains is considered. In order to suppress the unwanted Anderson localization and minimize the deformation of the original band shape, atomic modulation doping is considered, which is to place dopant atoms beside the chain periodically. Group I atoms are donors, and group VI or VII atoms are acceptors. As long as the lattice constant is long so that the s-p band crossing has not occurred, whether dopant atoms behave as donors or acceptors is closely related to the energy level alignment of isolated atomic levels. Band structures are calculated for Br-doped (p-type) and Cs-doped (n-type) Mg chains using the tight-binding theory with universal parameters, and it is shown that the band deformation is minimized and only the Fermi energy position is modified.

  13. Resist Pattern Inspection Using Fluorescent Dye-Doped Polystyrene Thin Films in Reactive-Monolayer-Assisted Thermal Nanoimprint Lithography

    Science.gov (United States)

    Kubo, Shoichi; Sato, Yuko; Hirai, Yoshihiko; Nakagawa, Masaru

    2011-06-01

    Fluorescent dye-doped polystyrene (PS) thin films were studied for defect inspection of PS resist patterns by fluorescence microscopy in reactive-monolayer-assisted thermal nanoimprint lithography using a photoreactive monolayer. A fluorescent dye of N,N '-bis(2,6-dimethylphenyl-perylene-3,4,9,10-tetracarboxylic diimide doped in a PS resist thin film maintained an almost identical fluorescence intensity after annealing at a temperature necessary for thermal nanoimprinting. To avoid degradation of a dye doped in a resist film owing to exposure to ultraviolet light for preparing a PS graft layer on the photoreactive monolayer, a double coating method for preparing a dye-doped PS resist layer on the PS graft layer was adopted. It was demonstrated by the fluorescent microscopic defect inspection that resist pattern defects due to unleveled residual layers after thermal nanoimprinting were significantly decreased by adding low-molecular-weight PS (5,100 g mol-1) to high-molecular-weight PS (360,000 g mol-1). The rheological study revealed that the low-molecular-weight PS obviously functioned as a plasticizer, which flattened residual layers and decreased their thickness.

  14. Ultrafast THz Saturable Absorption in Doped Semiconductors

    DEFF Research Database (Denmark)

    Turchinovich, Dmitry; Hoffmann, Matthias C.

    2011-01-01

    We demonstrate ultrafast THz saturable absorption in n-doped semiconductors by nonlinear THz time-domain spectroscopy. This effect is caused by the semiconductor conductivity modulation due to electron heating and satellite-valley scattering in strong THz fields.......We demonstrate ultrafast THz saturable absorption in n-doped semiconductors by nonlinear THz time-domain spectroscopy. This effect is caused by the semiconductor conductivity modulation due to electron heating and satellite-valley scattering in strong THz fields....

  15. Porous allograft bone scaffolds: doping with strontium.

    Directory of Open Access Journals (Sweden)

    Yantao Zhao

    Full Text Available Strontium (Sr can promote the process of bone formation. To improve bioactivity, porous allograft bone scaffolds (ABS were doped with Sr and the mechanical strength and bioactivity of the scaffolds were evaluated. Sr-doped ABS were prepared using the ion exchange method. The density and distribution of Sr in bone scaffolds were investigated by inductively coupled plasma optical emission spectrometry (ICP-OES, X-ray photoelectron spectroscopy (XPS, and energy-dispersive X-ray spectroscopy (EDS. Controlled release of strontium ions was measured and mechanical strength was evaluated by a compressive strength test. The bioactivity of Sr-doped ABS was investigated by a simulated body fluid (SBF assay, cytotoxicity testing, and an in vivo implantation experiment. The Sr molar concentration [Sr/(Sr+Ca] in ABS surpassed 5% and Sr was distributed nearly evenly. XPS analyses suggest that Sr combined with oxygen and carbonate radicals. Released Sr ions were detected in the immersion solution at higher concentration than calcium ions until day 30. The compressive strength of the Sr-doped ABS did not change significantly. The bioactivity of Sr-doped material, as measured by the in vitro SBF immersion method, was superior to that of the Sr-free freeze-dried bone and the Sr-doped material did not show cytotoxicity compared with Sr-free culture medium. The rate of bone mineral deposition for Sr-doped ABS was faster than that of the control at 4 weeks (3.28 ± 0.23 µm/day vs. 2.60 ± 0.20 µm/day; p<0.05. Sr can be evenly doped into porous ABS at relevant concentrations to create highly active bone substitutes.

  16. Gene doping: gene delivery for olympic victory

    OpenAIRE

    2012-01-01

    With one recently recommended gene therapy in Europe and a number of other gene therapy treatments now proving effective in clinical trials it is feasible that the same technologies will soon be adopted in the world of sport by unscrupulous athletes and their trainers in so called ‘gene doping’. In this article an overview of the successful gene therapy clinical trials is provided and the potential targets for gene doping are highlighted. Depending on whether a doping gene product is secreted...

  17. Hole transport in pure and doped hematite

    Science.gov (United States)

    Liao, Peilin; Carter, Emily A.

    2012-07-01

    Hematite (α-Fe2O3) is a promising candidate for use in photovoltaic (PV) and photoelectrochemical devices. Its poor conductivity is one major drawback. Doping hematite either p-type or n-type greatly enhances its measured conductivity and is required for potential p-n junctions in PVs. Here, we study hole transport in pure and doped hematite using an electrostatically embedded cluster model with ab initio quantum mechanics (unrestricted Hartree-Fock theory). Consistent with previous work, the model suggests that hole hopping is via oxygen anions for pure hematite. The activation energy for hole mobility is predicted to be at least 0.1 eV higher than the activation energy for electron mobility, consistent with the trend observed in experiments. We examine four dopants—magnesium(II), nickel(II), copper(II), and manganese(II/III) in direct cation substitution sites—to gain insight into the mechanism by which conductivity is improved. The activation energies are used to assess qualitative effects of different dopants. The hole carriers are predicted to be attracted to O anions near the dopants. The magnitude of the trapping effect is similar among the four dopants in their +2 oxidation states. The multivalent character of Mn doping facilitates local hole transport around Mn centers via a low-barrier O-Mn-O pathway, which suggests that higher hole mobility can be achieved with increasing Mn doping concentration, especially when a network of these low-barrier pathways is produced. Our results suggest that the experimentally observed conductivity increase in Mg-, Ni-, and Cu-doped p-type hematite is mostly due to an increase in hole carriers rather than improved mobility, and that Mg-, Ni-, and Cu-doping perform similarly, while the conductivity of Mn-doped hematite might be significantly improved in the high doping concentration limit.

  18. Graphene doping methods and device applications.

    Science.gov (United States)

    Oh, Jong Sik; Kim, Kyong Nam; Yeom, Geun Young

    2014-02-01

    Graphene has recently been studied as a promising material to replace and enhance conventional electronic materials in various fields such as electronics, photovoltaics, sensors, etc. However, for the electronic applications of graphene prepared by various techniques such as chemical vapor deposition, chemical exfoliation, mechanical exfoliation, etc., critical limitations are found due to the defects in the graphene in addition to the absence of a semiconducting band gap. For that, many researchers have investigated the doped graphene which is effective to tailor its electronic property and chemical reactivity. This work presents a review of the various graphene doping methods and their device applications. As doping methods, direct synthesis method and post treatment method could be categorized. Because the latter case has been widely investigated and used in various electronic applications, we will focus on the post treatment method. Post treatment method could be further classified into wet and dry doping methods. In the case of wet doping, acid treatment, metal chloride, and organic material coating are the methods used to functionalize graphene by using dip-coating, spin coating, etc. Electron charge transfer achieved from graphene to dopants or from dopants to graphene makes p-type or n-type graphenes, respectively, with sheet resistance reduction effect. In the case of dry doping, it can be further categorized into electrostatic field method, evaporation method, thermal treatment method, plasma treatment method, etc. These doping techniques modify Fermi energy level of graphene and functionalize the property of graphene. Finally, some perspectives and device applications of doped graphene are also briefly discussed.

  19. Detection of Doping with rhGH

    Institute of Scientific and Technical Information of China (English)

    Wu Mou-tian

    2009-01-01

    This presentation reviewed most articles recently pub lished in peer reviewed international scientific journals related to detection doping with rhGH. Four parts were in it: First part was the brief introduction about the background of do ping,special doping with rhGH. Second part summarized the development of "indirect method", markers approach. Third was focused on the development of "direct method", isoform approach. Finally, some potential alternatives have been discussed.

  20. Investigation of luminescent dye-doped or rare-earth-doped monodisperse silica nanospheres for DNA microarray labelling

    Science.gov (United States)

    Enrichi, F.; Riccò, R.; Meneghello, A.; Pierobon, R.; Cretaio, E.; Marinello, F.; Schiavuta, P.; Parma, A.; Riello, P.; Benedetti, A.

    2010-10-01

    DNA microarray is a high-throughput technology used for detection and quantification of nucleic acid molecules and others of biological interest. The analysis is resulting by specific hybridization between probe sequences deposited in array and a target ss-DNA usually functionalized by a luminescent dye. These organic labels have well known disadvantages like photobleaching and limited sensitivity. Therefore in this work we investigate a different strategy, based on the use of inorganic silica nanospheres incorporating standard luminescent dyes or rare earth ions. The synthesis and characterization of these biomarkers is reported and their application to the DNA microarray technology in comparison to the use of standard molecular fluorophores or commercial quantum dots is discussed. We show that dye doped silica spheres provides a significant increase of the optical emission signal with respect to the use of free dyes, while rare earth doped silica spheres allow reducing or completely avoiding the background noise. These aspects, together with their cheap and easy synthesis, stability in water, easy surface functionalization and bio-compatibility makes them very promising for present and future applications in bio-labelling and bio-imaging.

  1. Doping in sport: effects, harm and misconceptions.

    Science.gov (United States)

    Birzniece, V

    2015-03-01

    Doping in sport is a widespread problem not just among elite athletes, but even more so in recreational sports. In scientific literature, major emphasis is placed on doping detection, whereas detrimental effects of doping agents on athletes' health are seldom discussed. Androgenic anabolic steroids are well known for their positive effects on muscle mass and strength. Human growth hormone also increases muscle mass, although the majority of that is an increase in extracellular fluid and not the functional muscle mass. In recreational athletes, growth hormone does not have major effect on muscle strength, power or aerobic capacity, but stimulates anaerobic exercise capacity. Erythropoietin administration increases oxygen-carrying capacity of blood improving endurance measures, whereas systemic administration of beta-adrenergic agonists may have positive effect on sprint capacity, and beta-adrenergic antagonists reduce muscle tremor. Thus, there are certain drugs that can improve selective aspects of physical performance. However, most of the doping agents exert serious side-effects, especially when used in combination, at high doses and for a long duration. The extent of long-term health consequences is difficult to predict, but likely to be substantial, especially when gene doping is considered. This review summarises the main groups of doping agents used by athletes, with the main focus on their effects on athletic performance and adverse effects.

  2. Field emission properties of N-doped capped single-walled carbon nanotubes: a first-principles density-functional study.

    Science.gov (United States)

    Qiao, L; Zheng, W T; Xu, H; Zhang, L; Jiang, Q

    2007-04-28

    The geometrical structures and field emission properties of pristine and N-doped capped (5,5) single-walled carbon nanotubes have been investigated using first-principles density-functional theory. The structures of N-doped carbon nanotubes are stable under field emission conditions. The calculated work function of N-doped carbon nanotube decreases drastically when compared with pristine carbon nanotube, which means the enhancement of field emission properties. The ionization potentials of N-doped carbon nanotubes are also reduced significantly. The authors analyze the field emission mechanism in terms of energy gap between the lowest unoccupied molecular orbital and the highest occupied molecular orbital, Mulliken charge population, and local density of states. Due to the doping of nitrogen atom, the local density of states at the Fermi level increases dramatically and donor states can be observed above the Fermi level. The authors' results suggest that the field emission properties of carbon nanotubes can be enhanced by the doping of nitrogen atom, which are consistent with the experimental results.

  3. Gain properties of dye-doped polymer thin films

    CERN Document Server

    Gozhyk, I; Rabbani, H; Djellali, N; Forget, S; Chenais, S; Ulysse, C; Brosseau, A; Gauvin, S; Zyss, J; Lebental, M

    2014-01-01

    The demonstration of an electrically pumped organic laser remains a major issue of organic optoelectronics for several decades. Nowadays, hybrid pumping seems a promising compromise where the organic material is optically pumped by an electrically pumped inorganic device on chip. This technical solution requires therefore an optimization of the organic gain medium under optical pumping. Here, we report a detailed study of gain features of dye-doped polymer thin films, in particular we introduce the gain efficiency $K$, in order to facilitate comparison between material and experimental conditions. First, we measure the bulk gain by the means of a pump-probe setup, and then present in details several factors which modify the actual gain of the layer, namely the confinement factor, the pump polarization, the molecular anisotropy, and the re-absorption. The usual model to evaluate the gain leads to an overestimation by more than one order of magnitude, which stresses the importance to design the devices accordin...

  4. Electronic Transport in Molecular Junction Based on C20 Cages

    Institute of Scientific and Technical Information of China (English)

    OUYANG Fang-Ping; XU Hui

    2007-01-01

    Choosing closed-ended armchair(5,5)single-wall carbon nanotubes(CCNTs)as electrodes,we investigate the electron transport properties across an all-carbon molecular junction consisting of C20 molecules suspended between two semi-infinite carbon nanotubes.It is shown that the conductances are quite sensitive to the number of C20 molecules between electrodes for both configuration CFl and double-bonded models:the conductances of C20 dimers are markedly smaller than those of monomers.The physics is that incident electrons easily pass the C20 molecules and are predominantly scattered at the C20-C20 junctions.Moreover,we study the doping effect of such molecular junction by doping nitrogen atoms substitutionally.The bonding property of the molecular junction with configuration CFl has been analysed by calculating the Mulliken atomic charges.Our results have revealed that the C atoms in N-doped junctions are more ionic than those in pure-carbon ones,leading to the fact that N-doped junctions have relatively large conductance.

  5. Exploration of Al-Doped ZnO in Photovoltaic Thin Films

    Science.gov (United States)

    Ciccarino, Christopher; Sahiner, M. Alper

    The electrical properties of Al doped ZnO-based thin films represent a potential advancement in the push for increasing solar cell efficiency. Doping with Aluminum will theoretically decrease resistivity of the film and therefore achieve this potential as a viable option in the P-N junction phase of photovoltaic cells. The n-type semi-conductive characteristics of the ZnO layer will theoretically be optimized with the addition of Aluminum carriers. In this study, Aluminum doping concentrations ranging from 1-3% by mass were produced, analyzed, and compared. Films were developed onto ITO coated glass using the Pulsed Laser Deposition technique. Target thickness was 250 nm and ellipsometry measurements showed uniformity and accuracy in this regard. Active dopant concentrations were determined using Hall Effect measurements. Efficiency measurements showed possible applications of this doped compound, with upwards of 7% efficiency measured, using a Keithley 2602 SourceMeter set-up. XRD scans showed highly crystalline structures, with effective Al intertwining of the hexagonal wurtzile ZnO molecular structure. This alone indicates a promising future of collaboration between these two materials.

  6. Hydrogen storage in Li-doped fullerene-intercalated hexagonal boron nitrogen layers

    Science.gov (United States)

    Cheng, Yi-Han; Zhang, Chuan-Yu; Ren, Juan; Tong, Kai-Yu

    2016-10-01

    New materials for hydrogen storage of Li-doped fullerene (C20, C28, C36, C50, C60, C70)-intercalated hexagonal boron nitrogen ( h-BN) frameworks were designed by using density functional theory (DFT) calculations. First-principles molecular dynamics (MD) simulations showed that the structures of the C n -BN ( n = 20, 28, 36, 50, 60, and 70) frameworks were stable at room temperature. The interlayer distance of the h-BN layers was expanded to 9.96-13.59 Å by the intercalated fullerenes. The hydrogen storage capacities of these three-dimensional (3D) frameworks were studied using grand canonical Monte Carlo (GCMC) simulations. The GCMC results revealed that at 77 K and 100 bar (10 MPa), the C50-BN framework exhibited the highest gravimetric hydrogen uptake of 6.86 wt% and volumetric hydrogen uptake of 58.01 g/L. Thus, the hydrogen uptake of the Li-doped C n -intercalated h-BN frameworks was nearly double that of the non-doped framework at room temperature. Furthermore, the isosteric heats of adsorption were in the range of 10-21 kJ/mol, values that are suitable for adsorbing/desorbing the hydrogen molecules at room temperature. At 193 K (-80 °C) and 100 bar for the Li-doped C50-BN framework, the gravimetric and volumetric uptakes of H2 reached 3.72 wt% and 30.08 g/L, respectively.

  7. Electrical Transport Properties of Mn doped Bi2Se3 Thin Films

    Science.gov (United States)

    Babakiray, Sercan; Johnson, Trent; Borisov, Pavel; Lederman, David

    2015-03-01

    Magnetic impurity doping in topological insulators manifest itself with a gap opening in the Dirac cone as a result of breaking the time reversal symmetry. Moreover, the magnetic impurities affect the structural and quantum transport properties of topological insulators by increasing the disorder and by changing the bulk charge carrier type, charge carrier density and Hall mobility. Here, we investigated the effect of Mn doping on the structural and electrical transport properties of Bi2-xMnxSe3 thin films which are 12 quintuple layers thick and grown on Al2O3 (0001) single crystal substrates via molecular beam epitaxy (MBE). Hikami-Larkin-Nagaoka (HLN) formalism was used to study the weak antilocalization (WAL). Increasing Mn doping concentration was found to increase the bulk charge carrier density and to decrease the Hall mobility. A decrease was also observed in the phase coherence length related to WAL as a function of Mn content x. Values of another WAL parameter, the pre-factor alpha, showed that the top and bottom surfaces were coupled through the bulk conducting channels. The temperature dependence of phase coherence length indicated the electrical transport was dominated by 2D electron-electron scattering for the undoped, and by bulk weak localization effects for the Mn doped samples, respectively.

  8. Recent progress in the doping of MBE HgCdTe

    Science.gov (United States)

    Sivananthan, Sivalingam; Wijewarnasuriya, P. S.; Faurie, Jean-Pierre

    1995-09-01

    We present a review of the recent progress in the doping of HgCdTe grown by molecular beam epitaxy. A detailed analysis of the unintentional/intrinsic, n-type, and p-type doping is presented. Our results show that CdZnTe substrates should be carefully screened to reduce the out-diffusion of impurities from the substrate. N-type HgCdTe layers exhibit excellent Hall characteristics down to indium levels of 2 X 10(superscript 15) cm(superscript -3). Electron mobilities in the range of (2 - 3) X 10(superscript 5) cm(superscript 2)/vs at 23 K were obtained. Measured lifetime data fits very well with the intrinsic band-to-band recombination. However, below 2 X 10(superscript 15) cm(superscript -3) doping levels, minority carrier lifetime is limited by Schockley-Reed recombination. We have implemented planar doping with arsenic as p-type dopant during MBE growth. Our results clearly indicate that arsenic incorporates as an acceptor dopant during the growth of MBE HgCdTe.

  9. Field Evaporation of Grounded Arsenic Doped Silicon Clusters

    CERN Document Server

    Deng, Zexiang; Li, Zhibing; WeiliangWang,

    2014-01-01

    We have investigated field evaporation of grounded arsenic (As) doped silicon (Si) clusters consist of 52 atoms with density functional theory to mimic Si nano structures of hundreds of nanometers long standing on a substrate. Six cluster structures with different As doping concentrations and dopant locations are studied. The critical evaporation electric fields are found to be lower for clusters with higher doping concentrations and doping sites closer to the surface. We attribute the difference to the difference in binding energies corresponding to the different As-doping concentrations and to the doping locations. Our theoretical study could shed light on the stability of nano apexs under high electric field.

  10. Molecular geometry

    CERN Document Server

    Rodger, Alison

    1995-01-01

    Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and trans

  11. Molecular Haeckel.

    Science.gov (United States)

    Elinson, Richard P; Kezmoh, Lorren

    2010-07-01

    More than a century ago, Ernst Haeckel created embryo drawings to illustrate the morphological similarity of vertebrate early embryos. These drawings have been both widely presented and frequently criticized. At the same time that the idea of morphological similarity was recently attacked, there has been a growing realization of molecular similarities in the development of tissues and organs. We have surveyed genes expressed in vertebrate embryos, and we have used them to construct drawings that we call Molecular Haeckels. The Molecular Haeckels emphasize that, based on gene expression, there is a greater similarity among vertebrate embryos than even Haeckel might have imagined. (c) 2010 Wiley-Liss, Inc.

  12. Al-doped and in-doped ZnO thin films in heterojunctions with silicon

    Energy Technology Data Exchange (ETDEWEB)

    Chabane, L.; Zebbar, N.; Kechouane, M. [LCMS, Faculty of Physics, University of Sciences and Technology (USTHB), BP 32-16111, Algiers (Algeria); Aida, M.S. [LCMet Interface, Faculty of Sciences, University of Constantine, 25000 (Algeria); Trari, M. [Laboratory of Storage and Valorization of Renewable Energies, Faculty of Chemistry (USTHB), BP 32-16111 Algiers (Algeria)

    2016-04-30

    The undoped, Al-doped and In-doped ZnO thin films were deposited by ultrasonic spray pyrolysis technique, onto glass and p-Si substrates and the physical properties of the films were investigated. The X-ray diffraction, optical analysis and electrical characterisations, indicate that the films were polycrystalline with hexagonal würtzite type structure and revealed that the aluminium doping deteriorates the crystalline and optical properties and enhances the electrical conductivity whereas indium doping improves all properties. The transport mechanism controlling the conduction through the heterojunctions was studied. For the heterostructures, the temperature dependent current–voltage characteristics showed rectifying behaviour in the dark, but current transport mechanism is not the same for all heterojunctions. Therefore, the presence of the interface states and volume defects are identified as limiting factors for obtaining a high quality heterojunction interface. - Highlights: • Al-doped and In-doped ZnO thin films have been deposited onto Si. • In-doped ZnO/p-Si heterojunction showed poor rectifying behaviour. • Al-doped ZnO/p-Si heterojunction showed a good rectifying at room temperature. • The carriers transport mechanisms was controlled by interfacial and volume defects.

  13. Reporting doping in sport: national level athletes' perceptions of their role in doping prevention.

    Science.gov (United States)

    Whitaker, L; Backhouse, S H; Long, J

    2014-12-01

    This paper qualitatively explores national level athletes' willingness to report doping in sport. Following ethical approval, semi-structured interviews were conducted with nine national level athletes from rugby league (n = 5) and track and field athletics (n = 4). Thematic analysis established the main themes within the data. Contextual differences existed around the role that athletes perceived they would play if they became aware of doping. Specifically, track and field athletes would adopt the role of a whistle-blower and report individuals who were doping in their sport. In comparison, the rugby league players highlighted a moral dilemma. Despite disagreeing with their teammates' actions, the players would adhere to a code of silence and refrain from reporting doping. Taking these findings into account, prevention programs might focus on changing broader group and community norms around doping. In doing so, community members' receptivity to prevention messages may increase. Moreover, developing skills to intervene (e.g., speaking out against social norms that support doping behavior) or increasing awareness of reporting lines could enhance community responsibility for doping prevention. In sum, the findings highlight the need to consider the context of sport and emphasize that a one-size-fits-all approach to anti-doping is problematic.

  14. Segregation of Sb in Ge epitaxial layers and its usage for the selective doping of Ge-based structures

    Energy Technology Data Exchange (ETDEWEB)

    Antonov, A. V.; Drozdov, M. N.; Novikov, A. V., E-mail: anov@ipmras.ru; Yurasov, D. V. [Institute for Physics of Microstructures of the Russian Academy of Sciences (Russian Federation)

    2015-11-15

    The segregation of Sb in Ge epitaxial layers grown by the method of molecular beam epitaxy on Ge (001) substrates is investigated. For a growth temperature range of 180–325°C, the temperature dependence is determined for the segregation ratio of Sb in Ge, which shows a sharp increase (by more than three orders of magnitude) with increasing temperature. The strong dependence of the segregation properties of Sb on the growth temperature makes it possible to adapt a method based on the controlled use of segregation developed previously for the doping of Si structures for the selective doping of Ge structures with a donor impurity. Using this method selectively doped Ge:Sb structures, in which the bulk impurity concentration varies by an order of magnitude at distances of 3–5 nm, are obtained.

  15. Enhanced electrical property of Ni-doped CoOx hole transport layer for inverted perovskite solar cells.

    Science.gov (United States)

    Huang, Aibin; Yu, Yu; Liu, Yan; Yang, Songwang; Lei, Lei; Bao, Shanhu; Cao, Xun; Jin, Ping

    2017-03-15

    Ultrathin Ni doped CoOx (Ni:CoOx) films were demonstrated by direct current (DC) co-sputtering at room temperature and employed as inorganic hole transport materials for inverted perovskite solar cells. P-type Ni2+ doping introduced in this work was designed to adjust the valence band position of CoOx to match the highest occupied molecular orbital of perovskite absorber material (CH3NH3PbI3), which would effectively inhibit recombination of photo-induced electrons and holes. Moreover, the hole extraction capacity would be further enhanced as a result of the appropriate Ni2+ doping, and hence the power conversion efficiency (PCE) of the devices increased from 3.68% to 9.60%. The optimized performance was also accompanied by decent stability as a result of its intrinsic stability and conductivity.

  16. Magnesium-doped zinc oxide electrochemically grown on fluorine-doped tin oxide substrate.

    Science.gov (United States)

    Han, Q F; Jeong, Y I; Heo, J H; Shin, C M; Ryu, H; Park, M S; Lee, W J; Yoon, J H; Yang, J E; Choi, H

    2012-04-01

    Nanostructures of magnesium (Mg) doped Zinc oxide (ZnO) were successfully deposited on conducting fluorine-doped tin oxide (FTO) coated glass plates by cathodic electrochemical deposition method at different potentials and temperature conditions. The deposited samples were characterized by XRD and SEM techniques to confirm their structures, morphologies and optical properties. These measurements show that Mg doped ZnO has a wurtzite structure and that the strongest intensity of the (002) peak is found at 60 degrees C and -1.0 V. Tunable transmittance of Mg doped ZnO has a band gap energy from 3.45 eV to 3.82 eV, which is the direct evidence of doping.

  17. Molecular Electronics

    DEFF Research Database (Denmark)

    Jennum, Karsten Stein

    This thesis includes the synthesis and characterisation of organic compounds designed for molecular electronics. The synthesised organic molecules are mainly based on two motifs, the obigo(phenyleneethynylenes) (OPE)s and tetrathiafulvalene (TTF) as shown below. These two scaffolds (OPE and TTF......) are chemically merged together to form cruciform-like structures that are an essential part of the thesis. The cruciform molecules were subjected to molecular conductance measurements to explore their capability towards single-crystal field-effect transistors (Part 1), molecular wires, and single electron......, however, was obtained by a study of a single molecular transistor. The investigated OPE5-TTF compound was captured in a three-terminal experiment, whereby manipulation of the molecule’s electronic spin was possible in different charge states. Thus, we demonstrated how the cruciform molecules could...

  18. Molecular Electronics

    DEFF Research Database (Denmark)

    Jennum, Karsten Stein

    ) are chemically merged together to form cruciform-like structures that are an essential part of the thesis. The cruciform molecules were subjected to molecular conductance measurements to explore their capability towards single-crystal field-effect transistors (Part 1), molecular wires, and single electron......This thesis includes the synthesis and characterisation of organic compounds designed for molecular electronics. The synthesised organic molecules are mainly based on two motifs, the obigo(phenyleneethynylenes) (OPE)s and tetrathiafulvalene (TTF) as shown below. These two scaffolds (OPE and TTF......, however, was obtained by a study of a single molecular transistor. The investigated OPE5-TTF compound was captured in a three-terminal experiment, whereby manipulation of the molecule’s electronic spin was possible in different charge states. Thus, we demonstrated how the cruciform molecules could...

  19. [Molecular imaging].

    Science.gov (United States)

    Turetschek, K; Wunderbaldinger, P

    2002-01-01

    The disclosure of the human genoma, the progress in understanding of diseases on molecular and cellular levels, the discovery of new disease-specific targets, and the development of new medications will revolutionize our understanding of the etiology and the treatment of many disease entities. Radiologists are faced with a paradigm shift from unspecific to specific molecular imaging techniques as well as with enormous speed in the development of new methods and should be enrolled actively in this field of medicine.

  20. Sectioned Core Doping Effect on Higher-Order Mode Amplification in Yb-Doped Rod-Type Photonic Crystal Fibers

    DEFF Research Database (Denmark)

    Poli, F.; Lægsgaard, Jesper; Passaro, D.

    2009-01-01

    The amplification properties of guided modes in Yb-doped rod-type photonic crystal fibers with sectioned core doping have been investigated, evaluating the doped-area radius which provides the effective suppression of both LP 11- and LP02-like modes.......The amplification properties of guided modes in Yb-doped rod-type photonic crystal fibers with sectioned core doping have been investigated, evaluating the doped-area radius which provides the effective suppression of both LP 11- and LP02-like modes....

  1. Hepatotoxicity assessment of Mn-doped ZnS quantum dots after repeated administration in mice

    Directory of Open Access Journals (Sweden)

    Yang YJ

    2015-09-01

    Full Text Available Yanjie Yang,1,2 Shuang-Yu Lv,2 Bianfei Yu,1 Shuang Xu,1 Jianmin Shen,3 Tong Zhao,1 Haixia Zhang1 1Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Province, Lanzhou University, Lanzhou, Gansu, 2School of Medicine, Henan University, Kaifeng, Henan, 3Institute of Biochemistry and Molecular Biology, School of Life Sciences, Lanzhou University, Lanzhou, Gansu, People’s Republic of China Abstract: Doped ZnS quantum dots (QDs have a longer dopant emission lifetime and potentially lower cytotoxicity compared to other doped QDs. The liver is the key organ for clearance and detoxification of xenobiotics by phagocytosis and metabolism. The present study was designed to synthesize and evaluate the hepatotoxicity of Mn-doped ZnS QDs and their polyethylene glycol-coated counterparts (1 mg/kg and 5 mg/kg in mice. The results demonstrated that daily injection of Mn-doped ZnS QDs and polyethylene glycol-coated QDs via tail vein for 7 days did not influence body weight, relative liver weight, serum aminotransferases (alanine aminotransferase and aspartate aminotransferase, the levels of antioxidant enzymes (catalase, glutathione peroxidase, and superoxide dismutase, or malondialdehyde in the liver. Analysis of hepatocyte ultrastructure showed that Mn-doped ZnS QDs and polyethylene glycol-coated QDs mainly accumulated in mitochondria at 24 hours after repeated intravenous injection. No damage to cell nuclei or mitochondria was observed with either of the QDs. Our results indicate that Mn-doped ZnS QDs did not cause obvious damage to the liver. This study will assist in the development of Mn-doped ZnS QDs-based bioimaging and biomedical applications in the future. Keywords: liver, serum aminotransferases, antioxidant enzymes, ultrastructure

  2. Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule

    Directory of Open Access Journals (Sweden)

    Satoshi Ohmura

    2016-01-01

    Full Text Available Using ab-initio theoretical methods, we demonstrate possible enhancement of photo-conversion efficiency of an organic solar cell via intentional doping in molecular graphene-fullerene heterojunction [the hexabenzocoronene (HBC-triethylene glycol (TEG–C60 molecule]. Photoabsorption analysis indicates oxygen substitution into HBC leads to an extension of the spectra up to an infrared regime. A quantum-mechanical molecular dynamics simulation incorporating nonadiabatic electronic transitions reveals that a dissociated charge state (D+ and A- in the O-doped system is more stable than the pristine case due to the presence of an effective barrier by the TEG HOMO/LUMO level. We also find that oxygen doping in HBC enhances the intermolecular carrier mobility after charge separation. On the other hand, the pristine molecule undergoes rapid recombination between donor and acceptor charges at the interface. These analyses suggest that the graphene oxidation opens a new window in the application of organic super-molecules to solar cells.

  3. Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule

    Energy Technology Data Exchange (ETDEWEB)

    Ohmura, Satoshi, E-mail: s.ohmura.m4@cc.it-hiroshima.ac.jp [Research Center for Condensed Matter Physics, Department of Civil Engineering and Urban Design, Hiroshima Institute of Technology, Hiroshima 731-5193 (Japan); Tsuruta, Kenji [Department of Electrical and Electronic Engineering, Okayama University, Okayama 700-8530 (Japan); Shimojo, Fuyuki [Department of Physics, Kumamoto University, Kumamoto 860-8555 Japan (Japan); Nakano, Aiichiro [Collaboratory for Advanced Computing and Simulations, Department of Computer Science, Department of Physics & Astronomy, Department of Chemical Engineering & Materials Science, Department of Biological Sciences, University of Southern California, CA90089-024 (United States)

    2016-01-15

    Using ab-initio theoretical methods, we demonstrate possible enhancement of photo-conversion efficiency of an organic solar cell via intentional doping in molecular graphene-fullerene heterojunction [the hexabenzocoronene (HBC)-triethylene glycol (TEG)–C{sub 60} molecule]. Photoabsorption analysis indicates oxygen substitution into HBC leads to an extension of the spectra up to an infrared regime. A quantum-mechanical molecular dynamics simulation incorporating nonadiabatic electronic transitions reveals that a dissociated charge state (D{sup +} and A{sup -}) in the O-doped system is more stable than the pristine case due to the presence of an effective barrier by the TEG HOMO/LUMO level. We also find that oxygen doping in HBC enhances the intermolecular carrier mobility after charge separation. On the other hand, the pristine molecule undergoes rapid recombination between donor and acceptor charges at the interface. These analyses suggest that the graphene oxidation opens a new window in the application of organic super-molecules to solar cells.

  4. Li-Doped Ionic Liquid Electrolytes: From Bulk Phase to Interfacial Behavior

    Science.gov (United States)

    Haskins, Justin B.; Lawson, John W.

    2016-01-01

    Ionic liquids have been proposed as candidate electrolytes for high-energy density, rechargeable batteries. We present an extensive computational analysis supported by experimental comparisons of the bulk and interfacial properties of a representative set of these electrolytes as a function of Li-salt doping. We begin by investigating the bulk electrolyte using quantum chemistry and ab initio molecular dynamics to elucidate the solvation structure of Li(+). MD simulations using the polarizable force field of Borodin and coworkers were then performed, from which we obtain an array of thermodynamic and transport properties. Excellent agreement is found with experiments for diffusion, ionic conductivity, and viscosity. Combining MD simulations with electronic structure computations, we computed the electrochemical window of the electrolytes across a range of Li(+)-doping levels and comment on the role of the liquid environment. Finally, we performed a suite of simulations of these Li-doped electrolytes at ideal electrified interfaces to evaluate the differential capacitance and the equilibrium Li(+) distribution in the double layer. The magnitude of differential capacitance is in good agreement with our experiments and exhibits the characteristic camel-shaped profile. In addition, the simulations reveal Li(+) to be highly localized to the second molecular layer of the double layer, which is supported by additional computations that find this layer to be a free energy minimum with respect to Li(+) translation.

  5. Growth hormone doping: a review

    Directory of Open Access Journals (Sweden)

    Erotokritou-Mulligan I

    2011-07-01

    Full Text Available Ioulietta Erotokritou-Mulligan, Richard IG Holt, Peter H SönksenDevelopmental Origins of Health and Disease Division, University of Southampton School of Medicine, The Institute of Developmental Science, Southampton General Hospital, Southampton, UKAbstract: The use of growth hormone (GH as a performance enhancing substance was first promoted in lay publications, long before scientists fully acknowledged its benefits. It is thought athletes currently use GH to enhance their athletic performance and to accelerate the healing of sporting injuries. Over recent years, a number of high profile athletes have admitted to using GH. To date, there is only limited and weak evidence for its beneficial effects on performance. Nevertheless the “hype” around its effectiveness and the lack of a foolproof detection methodology that will detect its abuse longer than 24 hours after the last injection has encouraged its widespread use. This article reviews the current evidence of the ergogenic effects of GH along with the risks associated with its use. The review also examines methodologies, both currently available and in development for detecting its abuse.Keywords: performance enhancing substance, GH, doping in sport, detection methods

  6. Superconductivity in doped Dirac semimetals

    Science.gov (United States)

    Hashimoto, Tatsuki; Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi

    2016-07-01

    We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a 4 ×4 matrix and six types of k -independent pair potentials are allowed by the Fermi-Dirac statistics. We show that the unique spin-orbit coupling leads to characteristic superconducting gap structures and d vectors on the Fermi surface and the electron-electron interaction between intra and interorbitals gives a novel phase diagram of superconductivity. It is found that when the interorbital attraction is dominant, an unconventional superconducting state with point nodes appears. To verify the experimental signature of possible superconducting states, we calculate the temperature dependence of bulk physical properties such as electronic specific heat and spin susceptibility and surface state. In the unconventional superconducting phase, either dispersive or flat Andreev bound states appear between point nodes, which leads to double peaks or a single peak in the surface density of states, respectively. As a result, possible superconducting states can be distinguished by combining bulk and surface measurements.

  7. Neutron transmutation doped silicon detectors

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.; Krejner, Kh.; Ito, D.; Khusimi, K.; Okava, S.; Sirejsi, F.

    1984-01-01

    A method of doping neutron transmutation during (NTD) of Si crystals is described. Characteristics of detectors made of crystals obtained by the NTD method at low and room temperatures are measured. The possibility is studied of using the NTD method to produce Si crystals with a longer lifetime of non-base charge carriers, high specific resistance and more even distribution of specific resistance over the detector radius. The NTD method is based on /sup 30/Si isotope transmutation into /sup 31/Si following the (n, ..gamma..)-reaction. The /sup 31/Si isotope is unstable and transforms to /sup 31/P while emitting ..beta../sup -/. The NTD method consists in introduction of purified gaseous monosilan SiH/sub 4/ into the furnace to undergo thermal decomposition at 860 deg C with the formation of polycrystalline n-type Si. The polycrystalline Si prepared is treated mechanically and, after purification by the method of a ''floating zone'' in vacuum and in argon irradiated by a thermal neutron flux with the a density of 5x10/sup 11/ neUtr/(cm/sup 2/ x s) for 30-75 min. An analysis of the data obtained shows that the specifications of the Si detectors prepared by the NTD method are the same as those of conventional Si-detectors widely used nowadays but their cost of production is considerably lower.

  8. Doping of Semiconducting Atomic Chains

    Science.gov (United States)

    Toshishige, Yamada; Kutler, Paul (Technical Monitor)

    1997-01-01

    Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

  9. BF3-doped polyaniline: A novel conducting polymer

    Indian Academy of Sciences (India)

    Debangshu Chaudhuri; D D Sarma

    2006-07-01

    We review the unusual structural, transport and magnetic properties of highly conducting polyaniline, doped with boron trifluoride. Our studies establish the unique conducting state of this system, which is in distinct contrast with the conventional proton-doped polyaniline samples.

  10. Electronic and electrochemical doping of graphene by surface adsorbates

    Directory of Open Access Journals (Sweden)

    Hugo Pinto

    2014-10-01

    Full Text Available Many potential applications of graphene require its precise and controllable doping with charge carriers. Being a two-dimensional material graphene is extremely sensitive to surface adsorbates, so its electronic properties can be effectively modified by deposition of different atoms and molecules. In this paper, we review two mechanisms of graphene doping by surface adsorbates, namely electronic and electrochemical doping. Although, electronic doping has been extensively studied and discussed in the literature, much less attention has been paid to electrochemical doping. This mechanism can, however, explain the doping of graphene by adsorbates for which no charge transfer is expected within the electronic doping model. In addition, electrochemical doping is in the origin of the hysteresis effects often observed in graphene-based field effect transistors when operating in the atmospheric environment.

  11. Doping in sport : attitudes, beliefs and knowledge of competitive ...

    African Journals Online (AJOL)

    Australia, found that athletes endorsed drug testing as an ... pressure (22.5%) and then financial .... result of poor manufacturing practice, but there is some evidence of ... doping; the risk of doping appears to be highest in speed and power.

  12. Effect of aluminum and yttrium doping on zinc sulphide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Swati, E-mail: sharma.swati1507@gmail.com; Kashyap, Jyoti; Kapoor, A. [Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi-110021 (India); Gupta, Shubhra [Sri Venkateswara College, University of Delhi, New Delhi-110021 (India); Natasha [Maharaja Agrasen College, University of Delhi-110053 (India)

    2016-05-06

    In this work, pristine and doped Zinc Sulphide (ZnS) nanoparticles have been synthesized via chemical co-precipitation method. ZnS nanoparticles have been doped with Aluminium (Al) and Yttrium (Y) with doping concentration of 5wt% each. The structural and optical properties of the as prepared nanoparticles have been studied using X-Ray diffraction (XRD) technique and Photoluminescence spectroscopy. Average grain size of 2-3nm is observed through the XRD analysis. Effect of doping on stress, strain and lattice constant of the nanoparticles has also been analyzed. Photoluminescence spectra of the as prepared nanoparticles is enhanced due to Al doping and quenched due to Y doping. EDAX studies confirm the relative doping percentage to be 3.47 % and 3.94% by wt. for Al and Y doped nanoparticles respectively. Morphology of the nanoparticles studied using TEM and SEM indicates uniform distribution of spherical nanoparticles.

  13. Molecular fountain.

    Energy Technology Data Exchange (ETDEWEB)

    Strecker, Kevin E.; Chandler, David W.

    2009-09-01

    A molecular fountain directs slowly moving molecules against gravity to further slow them to translational energies that they can be trapped and studied. If the molecules are initially slow enough they will return some time later to the position from which they were launched. Because this round trip time can be on the order of a second a single molecule can be observed for times sufficient to perform Hz level spectroscopy. The goal of this LDRD proposal was to construct a novel Molecular Fountain apparatus capable of producing dilute samples of molecules at near zero temperatures in well-defined user-selectable, quantum states. The slowly moving molecules used in this research are produced by the previously developed Kinematic Cooling technique, which uses a crossed atomic and molecular beam apparatus to generate single rotational level molecular samples moving slowly in the laboratory reference frame. The Kinematic Cooling technique produces cold molecules from a supersonic molecular beam via single collisions with a supersonic atomic beam. A single collision of an atom with a molecule occurring at the correct energy and relative velocity can cause a small fraction of the molecules to move very slowly vertically against gravity in the laboratory. These slowly moving molecules are captured by an electrostatic hexapole guiding field that both orients and focuses the molecules. The molecules are focused into the ionization region of a time-of-flight mass spectrometer and are ionized by laser radiation. The new molecular fountain apparatus was built utilizing a new design for molecular beam apparatus that has allowed us to miniaturize the apparatus. This new design minimizes the volumes and surface area of the machine allowing smaller pumps to maintain the necessary background pressures needed for these experiments.

  14. Effect of space layer doping on photoelectric conversion efficiency of InAs/GaAs quantum dot solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kyoung Su; Lee, Dong Uk; Kim, Eun Kyu, E-mail: ek-kim@hanyang.ac.kr [Quantum-Function Research Laboratory and Department of Physics, Hanyang University, Seoul 133-791 (Korea, Republic of); Choi, Won Jun [Center for Opto-Electronic Convergence Systems, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of)

    2015-11-16

    We report an effect of photoelectric conversion efficiency (PCE) by space layer doping in InAs/GaAs quantum dot solar cells (QDSC) and δ-doped QDSC grown by molecular beam epitaxy. The PCEs of QDSC and δ-doped QDSC without anti-reflection coating were 10.8% and 4.3%, respectively. The QDSC had about four electrons per QD, and its ideality factor was temperature-independent, which implies that recombination of electron-hole pairs is suppressed by strong potential barriers around charged dots. From the deep level transient spectroscopy measurements, four defect levels, including QD with the activation energy ranges from 0.08 eV to 0.50 eV below GaAs conduction band edge, appeared. Especially, the M1 defect (E{sub c}-0.14 eV) was newly formed in δ-doped QDSC and its density was higher than those of M3 (E{sub c}-0.35 eV) and M4 (E{sub c}-0.50 eV) levels in QDSC. These results suggest that the photo-carriers recombining at M1 defect might be responsible for the reduction of PCE in δ-doped QDSC.

  15. Electronic Properties of a 1D Intrinsic/p-Doped Heterojunction in a 2D Transition Metal Dichalcogenide Semiconductor

    KAUST Repository

    Song, Zhibo

    2017-07-28

    Two-dimensional (2D) semiconductors offer a convenient platform to study 2D physics, for example, to understand doping in an atomically thin semiconductor. Here, we demonstrate the fabrication and unravel the electronic properties of a lateral doped/intrinsic heterojunction in a single-layer (SL) tungsten diselenide (WSe2), a prototype semiconducting transition metal dichalcogenide (TMD), partially covered with a molecular acceptor layer, on a graphite substrate. With combined experiments and theoretical modeling, we reveal the fundamental acceptor-induced p-doping mechanism for SL-WSe2. At the 1D border between the doped and undoped SL-WSe2 regions, we observe band bending and explain it by Thomas-Fermi screening. Using atomically resolved scanning tunneling microscopy and spectroscopy, the screening length is determined to be in the few nanometer range, and we assess the carrier density of intrinsic SL-WSe2. These findings are of fundamental and technological importance for understanding and employing surface doping, for example, in designing lateral organic TMD heterostructures for future devices.

  16. Molecular active plasmonics: controlling plasmon resonances with molecular machines

    KAUST Repository

    Zheng, Yue Bing

    2009-08-26

    The paper studies the molecular-level active control of localized surface plasmon resonances (LSPRs) of Au nanodisk arrays with molecular machines. Two types of molecular machines - azobenzene and rotaxane - have been demonstrated to enable the reversible tuning of the LSPRs via the controlled mechanical movements. Azobenzene molecules have the property of trans-cis photoisomerization and enable the photo-induced nematic (N)-isotropic (I) phase transition of the liquid crystals (LCs) that contain the molecules as dopant. The phase transition of the azobenzene-doped LCs causes the refractive-index difference of the LCs, resulting in the reversible peak shift of the LSPRs of the embedded Au nanodisks due to the sensitivity of the LSPRs to the disks\\' surroundings\\' refractive index. Au nanodisk array, coated with rotaxanes, switches its LSPRs reversibly when it is exposed to chemical oxidants and reductants alternatively. The correlation between the peak shift of the LSPRs and the chemically driven mechanical movement of rotaxanes is supported by control experiments and a time-dependent density functional theory (TDDFT)-based, microscopic model.

  17. Erbium doped stain etched porous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, B. [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38204 La Laguna, S/C de Tenerife (Spain); Diaz-Herrera, B. [Departamento de Energia Fotovoltaica, Instituto Tecnologico de Energias Renovables (ITER), Poligono Industrial de Granadilla, 38611 S/C Tenerife (Spain); Guerrero-Lemus, R. [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38204 La Laguna, S/C de Tenerife (Spain)], E-mail: rglemus@ull.es; Mendez-Ramos, J.; Rodriguez, V.D. [Departamento de Fisica Fundamental, Experimental Electronica y Sistemas, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38204 La Laguna, S/C de Tenerife (Spain); Hernandez-Rodriguez, C. [Departamento de Fisica Basica, Universidad de La Laguna, Avda. Astrofisico Francisco Sanchez, 38204 La Laguna, S/C de Tenerife (Spain); Martinez-Duart, J.M. [Departamento de Fisica Aplicada, C-XII, Universidad Autonoma de Madrid, 28049 Cantoblanco, Madrid (Spain)

    2008-01-15

    In this work a simple erbium doping process applied to stain etched porous silicon layers (PSLs) is proposed. This doping process has been developed for application in porous silicon solar cells, where conventional erbium doping processes are not affordable because of the high processing cost and technical difficulties. The PSLs were formed by immersion in a HF/HNO{sub 3} solution to properly adjust the porosity and pore thickness to an optimal doping of the porous structure. After the formation of the porous structure, the PSLs were analyzed by means of nitrogen BET (Brunauer, Emmett and Teller) area measurements and scanning electron microscopy. Subsequently, the PSLs were immersed in a saturated erbium nitrate solution in order to cover the porous surface. Then, the samples were subjected to a thermal process to activate the Er{sup 3+} ions. Different temperatures and annealing times were used in this process. The photoluminescence of the PSLs was evaluated before and after the doping processes and the composition was analyzed by Fourier transform IR spectroscopy.

  18. Doping induced structural transformation in tungsten trioxide

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhijie [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Wu, Shiyun [School of Physics and Mech-Tronic Engineering, Sichuan University of Arts and Science, Dazhou 635000 (China); Wang, Zhiguo, E-mail: zgwang@uestc.edu.cn [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Fu, Y.Q., E-mail: richard.fu@northumbria.ac.uk [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Department of Physics and Electrical Engineering, Faculty of Engineering and Environment, University of Northumbria, Newcastle upon Tyne, NE1 8ST (United Kingdom)

    2016-07-05

    Effects of dopants on structural stability of monoclinic WO{sub 3} were studied using density functional theory. Transformation from monoclinic to cubic crystal structures was obtained by gradually increasing doping concentrations of both rhenium (Re) and electrons inside the monoclinic WO{sub 3}, whereas a large distortion of WO{sub 6} octahedra was observed by gradually increasing doping concentrations of both niobium (Nb) and holes inside the monoclinic WO{sub 3}. It was verified that Re{sub x}W{sub 1-x}O{sub 3} has a cubic structure if x is larger than 0.375, and the transformation from monoclinic to cubic structure is mainly dependent on the occupancy of the W 5d orbital. The elastic characteristics of the Re{sub x}W{sub 1-x}O{sub 3} decrease with the increase of the content of Re in the range of 0.375 ≤ x ≤ 0.875. - Highlights: • Solid state transformations induced by doping in WO{sub 3} were investigated. • Mechanisms of structure transformation induced by doping were clarified. • Re{sub x}W{sub 1-x}O{sub 3} has a cubic structure as x is larger than 0.375. • Electron doping induces the monoclinic to cubic transformation.

  19. Scandia doped tungsten matrix for impregnated cathode

    Institute of Scientific and Technical Information of China (English)

    WANG Jinshu; WANG Yanchun; LIU Wei; LI Hongyi; ZHOU Meiling

    2008-01-01

    As a matrix for Sc-type impregnated cathode,scandia doped tungsten with a uniform ldistribution of SC2O3 was obtained by powder metallurgy combined with the liquid-solid doping method.The microstructure and composition of the powder and the anti-ion bombardment behavior of scandium in the matrix were studied by means of SEM,EDS,XRD,and in-situ AES methods.Tungsten powder covered with scandium oxide,an ideal scandium oxide-doped tungsten powder for the preparation of Sc-type impregnated cathode,was obtained using the liquid-solid doping method.Compared with the matrix prepared with the mechanically mixed powder of tungsten and scandium oxide,SC2O3-W matrix prepared with this kind of powder had smaller grain size and uniform distribution of scandium.Sc on the surface of Sc2O3 doped tungsten mauix had good high temperature stability and good anti-ion bombardment capability.

  20. Current Status of Doping in Japan Based on Japan Anti-Doping Disciplinary Panels of the Japan Anti-Doping Agency (JADA): A Suggestion on Anti-Doping Activities by Pharmacists in Japan.

    Science.gov (United States)

    Imanishi, Takashi; Kawabata, Takayoshi; Takayama, Akira

    2017-01-01

     In 2009, the Japan Anti-Doping Agency (JADA) established the "Sports Pharmacist Accreditation Program" to prevent doping in sports. Since then, anti-doping activities in Japan have been attracting attention. In this study, we investigated research about the current status of doping from 2007 to 2014 in Japan to make anti-doping activities more concrete, and we also discussed future anti-doping activities by pharmacists. In Japan, bodybuilding was the sporting event with the highest number and rate of doping from 2007 to 2014. Many of the positive doping cases were detected for class S1 (anabolic agents), S5 (diuretics and masking agents), and S6 (stimulants). Within class S1, supplements were the main cause of positive doping. Within class S5, medicines prescribed by medical doctors were the main cause of positive doping. Within class S6, non-prescription medicines (e.g., OTC) were the main cause of positive doping. When we looked at the global statistics on doping, many of the positive doping cases were detected for class S1. On comparing the Japanese statistics with the global statistics, the rate of positive doping caused by class S1 was significantly lower, but that caused by classes S5 and S6 was significantly higher in Japan than in the world. In conclusion, pharmacists in Japan should pay attention to class S1, S5, and S6 prohibited substances and to the sport events of bodybuilding. Based on this study, sports pharmacists as well as common pharmacists should suggest new anti-doping activities to prevent doping in the future.

  1. Charge transport of lithium-salt-doped polyaniline

    Science.gov (United States)

    Jung, J. H.; Kim, B. H.; Moon, B. W.; Joo, J.; Chang, S. H.; Ryu, K. S.

    2001-07-01

    Charge transport properties, including temperature-dependent dc conductivity and thermoelectric power are reported for Li-salt (LiPF6, LiBF4, LiAsF6, LiCF3SO3, or LiClO4) -doped polyaniline (PAN) samples. The experiments of electron paramagnetic resonance (EPR) and X-ray photoelectron spectroscopy (XPS) are performed for the systems. The electrical and magnetic properties and the doping mechanism of various Li-salt-doped PAN samples are compared with those of hydrochloric-acid (HCl) -doped PAN samples. The PAN materials doped with LiPF6 have the highest dc conductivity (σdc~1 S/cm, at room temperature) in the Li-salt-doped PAN systems studied here. The temperature dependence of σdc of the systems follows a quasi-one-dimensional variable range hopping model, which is similar to that of HCl-doped PAN samples. As the molar concentration increases from ~10-4M to ~1M, the system is transformed from an insulating to conducting (non-metallic) state. From EPR experiments, we measure the temperature dependence of magnetic susceptibility, and obtain the density of states for various Li-salt-doped PANs with different doping levels. We observe the increase of the density of states as the molar concentration increases. From the analysis of nitrogen 1s peak obtained from XPS experiments, we estimate the doping level of the systems. We compare the effective doping thickness between HCl-doped PAN samples and Li-salt-doped PAN ones, based upon the results of XPS argon (Ar) ion sputtering experiments. The diffusion rate of Li+ or counterions and the dissociation constants of Li salt in doping solution play an important role for the effective doping and transport properties of the Li-salt-doped PAN samples.

  2. Gene and Cell Doping: The New Frontier - Beyond Myth or Reality.

    Science.gov (United States)

    Neuberger, Elmo W I; Simon, Perikles

    2017-01-01

    The advent of gene transfer technologies in clinical studies aroused concerns that these technologies will be misused for performance-enhancing purposes in sports. However, during the last 2 decades, the field of gene therapy has taken a long and winding road with just a few gene therapeutic drugs demonstrating clinical benefits in humans. The current state of gene therapy is that viral vector-mediated gene transfer shows the now long-awaited initial success for safe, and in some cases efficient, gene transfer in clinical trials. Additionally, the use of small interfering RNA promises an efficient therapy through gene silencing, even though a number of safety concerns remain. More recently, the development of the molecular biological CRISPR/Cas9 system opened new possibilities for efficient and highly targeted genome editing. This chapter aims to define and consequently demystify the term "gene doping" and discuss the current reality concerning gene- and cell-based physical enhancement strategies. The technological progress in the field of gene therapy will be illustrated, and the recent clinical progress as well as technological difficulties will be highlighted. Comparing the attractiveness of these technologies with conventional doping practices reveals that current gene therapy technologies remain unattractive for doping purposes and unlikely to outperform conventional doping. However, future technological advances may raise the attractiveness of gene doping, thus making it easier to develop detection strategies. Currently available detection strategies are introduced in this chapter showing that many forms of genetic manipulation can already be detected in principle. © 2017 S. Karger AG, Basel.

  3. Molecular structure of [(trien)Zn(im)Zn(trien)](ClO4)3 complex and ESR spectra of its single-crystal doped with [(trien)Cu(im)Zn(trien)l(ClO4)3 complex

    Institute of Scientific and Technical Information of China (English)

    毛宗万; 江丽娟; 韩世莹; 唐雯霞; 陈民勤A; 刘捷

    1996-01-01

    The crystal structure of the title complex was measured, in which the two zinc atoms with coordination polyhedron of distorted tetragonal pyramid (TP) are bridged by an imidazolate in the apical position of the TP forming a dimer. The isomorphous [(trien)Cu(im)Zn(trien)](ClO4)3·H2O complex was doped in the title complex and the recorded single-crystal ESR spectra by fitting gave two sets of the principal values of g and A tensors, which were assigned to the physically distinct sites of the two magnetically equivalent molecules in the unit cell. Lattice distortion at the Cu(II) ion sites and the bonding parameters of Cu(II) ions are further calculated, and the bonding nature of Cu(II) ions is discussed.

  4. Momentum and Doping Dependence of Spin Excitations in Electron-Doped Cuprate Superconductors

    Science.gov (United States)

    Jing, Pengfei; Zhao, Huaisong; Kuang, Lülin; Lan, Yu; Feng, Shiping

    2017-01-01

    Superconductivity in copper oxides emerges on doping holes or electrons into their Mott-insulating parent compounds. The spin excitations are thought to be the mediating glue for the pairing in superconductivity. Here the momentum and doping dependence of the dynamical spin response in the electron-doped cuprate superconductors is studied based on the kinetic-energy-driven superconducting mechanism. It is shown that the dispersion of the low-energy spin excitations changes strongly upon electron doping; however, the hour-glass-shaped dispersion of the low-energy spin excitations appeared in the hole-doped case is absent on the electron-doped side due to the electron-hole asymmetry. In particular, the commensurate resonance appears in the superconducting state with the resonance energy that correlates with the dome-shaped doping dependence of the superconducting gap. Moreover, the spectral weight and dispersion of the high-energy spin excitations in the superconducting state are comparable with those in the corresponding normal state, indicating that the high-energy spin excitations do not play an important part in the pair formation.

  5. Doping dependent properties of Cr-doped ZnO nanostructures prepared by microwave irradiation.

    Science.gov (United States)

    Ahmed, Faheem; Arshi, Nishat; Anwar, M S; Koo, Bon Heun

    2014-11-01

    In this work, undoped and Cr-doped single-crystalline ZnO nanorods were prepared by a facile microwave assisted solution method. X-ray diffraction (XRD) and transmission electron microscopy (TEM) results showed that Cr-doped ZnO was comprised of single phase nature with hexagonal wurtzite structure up to 5% Cr doping, however, secondary phase ZnCr2O4 appeared upon further increasing the Cr dopant concentration. Field emission scanning electron microscopy (FESEM) and TEM micrographs suggested that the undoped nanorods with an average length of -~2 μm and a diameter in the range of 150-200 nm, respectively were observed. Interestingly, the size of nanorods decreased with the increase of Cr concentration in ZnO. Optical studies depicted that the energy bandgap was decreased with the increase of Cr concentration. Raman scattering spectra of Cr-doped ZnO revealed the lower frequency shift of E2(high) phonon mode with the increase in concentration of Cr dopant, suggested the successful doping of Cr into Zn site in ZnO. Magnetic studies showed that Cr-doped ZnO exhibited room temperature ferromagnetism (RTFM) and the value of magnetization was continuously decreased with the increase in Cr doping.

  6. Hydrogen Solubility in Pr-doped and Un-doped YSZ for One Chamber Fuel Cell

    DEFF Research Database (Denmark)

    Bay, Lasse; Horita, T.; Sakai, N.;

    1998-01-01

    SIMS analysis. Doping of Pr in the YSZ resulted in a higher intensity of the D ion, which indicated that hydrogen solubility was raised by the doping. The solubility of hydrogen in the electrolyte may affect the performance of one chamber fuel cells. (C) 1998 Elsevier Science B.V. All rights reserved.......Yttria-stabilised zirconia electrolytes (YSZ and Pr-doped YSZ) and yttria-doped strontium cerate (SYC) were tested in a one chamber fuel cell fed with a mixture of methane and air at 1223 K. The obtained performances were 4 mW cm(-2), 3 mW cm(-2), 2.5 mW cm(-2), and 0.15 mW cm(-2) for SYC, 1.8 mol.......% Pr-doped YSZ, 17 mol.% Pr-doped YSZ, and un-doped YSZ, respectively. These values are lower than those reported by Asano ct al., due to poisoning of the gold electrode. The solubility of hydrogen in the electrolytes was compared by means of tracer exchange using a H(2) + D(2)O mixture and subsequent...

  7. Growth of delta-doped layers on silicon CCD/S for enhanced ultraviolet response

    Science.gov (United States)

    Hoenk, Michael E. (Inventor); Grunthaner, Paula J. (Inventor); Grunthaner, Frank J. (Inventor); Terhune, Robert W. (Inventor); Hecht, Michael H. (Inventor)

    1994-01-01

    The backside surface potential well of a backside-illuminated CCD is confined to within about half a nanometer of the surface by using molecular beam epitaxy (MBE) to grow a delta-doped silicon layer on the back surface. Delta-doping in an MBE process is achieved by temporarily interrupting the evaporated silicon source during MBE growth without interrupting the evaporated p+ dopant source (e.g., boron). This produces an extremely sharp dopant profile in which the dopant is confined to only a few atomic layers, creating an electric field high enough to confine the backside surface potential well to within half a nanometer of the surface. Because the probability of UV-generated electrons being trapped by such a narrow potential well is low, the internal quantum efficiency of the CCD is nearly 100% throughout the UV wavelength range. Furthermore, the quantum efficiency is quite stable.

  8. Effect of nitrogen doping on the thermal conductivity of GeTe thin films

    Energy Technology Data Exchange (ETDEWEB)

    Fallica, Roberto; Longo, Massimo; Wiemer, Claudia [Laboratorio MDM, IMM-CNR, Agrate Brianza (Italy); Varesi, Enrico; Fumagalli, Luca; Spadoni, Simona [Micron Semiconductor Italia, Agrate Brianza (Italy)

    2013-12-15

    The 3{omega} method was employed to determine the effect of nitrogen doping (5 at.%) on the thermal conductivity of sputtered thin films of stoichiometric GeTe (a material of interest for phase change memories). It was found that nitrogen doping has a detrimental effect on the thermal conductivity of GeTe in both phases, but less markedly in the amorphous (-25%) than in the crystalline one (-40%). On the opposite, no effect could be detected on the measured thermal boundary resistance between these films and SiO{sub 2}, within the experimental error. Our results agree with those obtained by molecular dynamic simulation of amorphous GeTe. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Spectroscopic properties of Eu-doped antimony-germanate glass and glass-ceramics

    Science.gov (United States)

    Zmojda, J.; Kochanowicz, M.; Miluski, P.; Ragin, T.; Dorosz, D.; ZajÄ c, A.

    2016-09-01

    In our work we focused on possibility of obtaining phosphate nano-phase structures in antimony-germanate glasses doped with europium ions. The glasses with molar composition of 50(Sb2O3 - GeO2) - 50(SiO2 - Al2O3 - Na2O) doped with 0.5mol% Eu2O3 were prepared by standard melt-quenching method. In order to optimize glass-ceramic system the influence of phosphate concentration (up to 10mol%) on spectroscopic properties have been investigated. The symmetry nature of molecular structure around europium ions have been determined from the intensity ratio between (5D0 →7F2)/(5D0 →7F1) transitions. The effect of prominent Stark splitting of luminescence band at 612 nm characterised as "hypersensitive transition" into 3 sub-wavelength was observed in glasses with 1mol% and 3mol% of P2O5.

  10. Vacancy ordering effects on the conductivity of yttria- and scandia-doped zirconia

    CERN Document Server

    Marrocchelli, Dario; Norberg, Stefan T; Hull, Stephen

    2010-01-01

    Polarizable interaction potentials, parametrized using ab initio electronic structure calculations, have been used in molecular dynamics simulations to study the conduction mechanism in Y2 O3 - and Sc2 O3 -doped zirconias. The influence of vacancy-vacancy and vacancy-cation interactions on the conductivity of these materials has been characterised. While the latter can be avoided by using dopant cations with radii which match those of Zr4+ (as is the case of Sc3+), the former is an intrinsic characteristic of the fluorite lattice which cannot be avoided and which is shown to be responsible for the occurrence of a maximum in the conductivity at dopant concentrations between 8 and 13 %. The weakness of the Sc-vacancy interactions in Sc2 O3 -doped zirconia suggests that this material is likely to present the highest conductivity achievable in zirconias.

  11. Vanadia-based SCR Catalysts Supported on Tungstated and Sulfated Zirconia: Influence of Doping with Potassium

    DEFF Research Database (Denmark)

    Due-Hansen, Johannes; Boghosian, Soghomon; Kustov, Arkadii

    2007-01-01

    A series of vanadium-based SCR catalysts supported on sulfated or tungstated ZrO2 were synthesized and characterized by means of N2-BET, XRD, NH3-TPD and in situ Raman spectroscopy. The effect of potassium doping on the properties of vanadia species is studied in detail. A number of catalyst...... and morphology, the surface composition and the molecular configuration of the dispersed vanadates. It was observed that poisoning with potassium had a negligible effect on the surface vanadate species (especially the V=O stretching frequency observed by in situ Raman spectroscopy) if supported on the sulfated...... the observed decrease in V=O stretching frequency and the higher proportion of dimers and higher polymers through coordination between K+ and two neighbouring V=O. The results suggest an increased resistance towards potassium doping for the vanadia-based catalysts supported on sulfated zirconia....

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang; Frisbie, C Daniel

    2012-08-13

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

  13. Orbital disproportionation of electronic density is a universal feature of alkali-doped fullerides

    Science.gov (United States)

    Iwahara, Naoya; Chibotaru, Liviu F.

    2016-10-01

    Alkali-doped fullerides show a wide range of electronic phases in function of alkali atoms and the degree of doping. Although the presence of strong electron correlations is well established, recent investigations also give evidence for dynamical Jahn-Teller instability in the insulating and the metallic trivalent fullerides. In this work, to reveal the interplay of these interactions in fullerides with even electrons, we address the electronic phase of tetravalent fulleride with accurate many-body calculations within a realistic electronic model including all basic interactions extracted from first principles. We find that the Jahn-Teller instability is always realized in these materials too. In sharp contrast to the correlated metals, tetravalent system displays uncorrelated band-insulating state despite similar interactions present in both fullerides. Our results show that the Jahn-Teller instability and the accompanying orbital disproportionation of electronic density in the degenerate lowest unoccupied molecular orbital band is a universal feature of fullerides.

  14. Gadolinium-doped Ⅲ-nitride diluted magnetic semiconductors for spintronics applications

    Directory of Open Access Journals (Sweden)

    ZHOU Yikai

    2015-08-01

    Full Text Available The present status of the Gd (gadolinium-Ⅲ-nitride semiconductor layers grown by plasma-assisted molecular beam epitaxy is described.No phase separation and substitutional incorporation are confirmed by X-ray Diffraction and X-ray Absorption Fine Structure measurements.Photoluminescence peak energy for the Gd-doped InGaN is shifted with InN molar fraction.Clear hysteresis and saturation are observed in the magnetization versus magnetic field curves at room temperature.Si co-doping as well as superlattice structures enhances the magnetization.Results are understood with the carrier-mediated ferromagnetism.Finally,examples of the spintronic semiconductor devices,where the relation between the spin-polarized carriers and the circular-polarized light is used,and the present status to realize such devices are described.

  15. Lithium decoration of three dimensional boron-doped graphene frameworks for high-capacity hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yunhui; Meng, Zhaoshun; Liu, Yuzhen; You, Dongsen; Wu, Kai; Lv, Jinchao; Wang, Xuezheng; Deng, Kaiming; Lu, Ruifeng, E-mail: dewei@ujs.edu.cn, E-mail: rflu@njust.edu.cn [Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); Rao, Dewei, E-mail: dewei@ujs.edu.cn, E-mail: rflu@njust.edu.cn [Institute for Advanced Materials, Jiangsu University, Zhenjiang 212013 (China)

    2015-02-09

    Based on density functional theory and the first principles molecular dynamics simulations, a three-dimensional B-doped graphene-interconnected framework has been constructed that shows good thermal stability even after metal loading. The average binding energy of adsorbed Li atoms on the proposed material (2.64 eV) is considerably larger than the cohesive energy per atom of bulk Li metal (1.60 eV). This value is ideal for atomically dispersed Li doping in experiments. From grand canonical Monte Carlo simulations, high hydrogen storage capacities of 5.9 wt% and 52.6 g/L in the Li-decorated material are attained at 298 K and 100 bars.

  16. Optical investigation of strain in Si-doped GaN films

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Paramo, J.; Calleja, J. M.; Sanchez-Garcia, M. A.; Calleja, E.

    2001-06-25

    The effects of Si doping on the growth mode and residual strain of GaN layers grown on Si(111) substrates by plasma-assisted molecular beam epitaxy are studied by Raman scattering and photoluminescence. As the Si concentration increases a progressive decrease of the high-energy E{sub 2} mode frequency is observed, together with a redshift of the excitonic emission. Both effects indicate an enhancement of the biaxial tensile strain of thermal origin for increasing doping level, which is confirmed by x-ray diffraction measurements. Beyond Si concentrations of 5{times}10{sup 18}cm{sup {minus}3} both the phonon frequency and the exciton emission energy increase again. This change indicates a partial strain relaxation due to a change in the growth mode. {copyright} 2001 American Institute of Physics.

  17. Comparison of various organic compounds destruction on rare earths doped Ti/Sb-SnO{sub 2} electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Yu-Hong [School of Environmental Science and Engineering, Huazhong University of Science and Technology, No. 1037 Luoyu Road, Hongshan District, Wuhan 430074 (China); State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, No. 73 Huanghe Road, Nangang District, Harbin 150090 (China); Feng, Yu-Jie, E-mail: yujief@hit.edu.cn [State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, No. 73 Huanghe Road, Nangang District, Harbin 150090 (China); Liu, Junfeng; Ren, Nanqi [State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, No. 73 Huanghe Road, Nangang District, Harbin 150090 (China)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Different REs doping has distinct effect on the Ti/Sb-SnO{sub 2} electrode performance. Black-Right-Pointing-Pointer Gd or Eu improves the performance of Ti/Sb-SnO{sub 2} on aromatic ring cleavage. Black-Right-Pointing-Pointer Catechol is more refractory to be degraded than benzoquinone and hydroquinone. Black-Right-Pointing-Pointer The molecular structure of organic compound influences its degradation rate. - Abstract: Ti/Sb-SnO{sub 2} and three kinds of rare earths (REs), namely Ce, Gd, and Eu doped Ti/Sb-SnO{sub 2} electrodes were prepared and tested for their capacity on electrocatalytic degradation of three kinds of basal aromatic compounds (benzoquinone, hydroquinone and catechol) and six kinds of aliphatic acids (maleic acid, fumaric acid, succinic acid, malonic acid, oxalic acid and acetic acid). The elimination of selected organics as well as their TOC removal with different doped Ti/Sb-SnO{sub 2} electrodes was described by first-order kinetics. Compared with Ti/Sb-SnO{sub 2}, the Gd and Eu doped electrodes show better performance on the degradation of most of the selected organics, while Ce doped electrode shows either closely or lower efficiency on the degradation of these selected organics. Besides electrode material, the molecular structure of organic compound has obvious effect on its degradation in the electrocatalytic process. Catechol is more resistant to the electrophilic attack by hydroxyl radicals than benzoquinone and hydroquinone. The compound with more complicate molecular structure or longer carbon chain is more difficult to be mineralized. The aliphatic acid with higher oxygen content or more double bonds is more readily to be oxidized in the electrocatalytic process.

  18. Versatile Chromium-Doped Zinc Selenide Infrared Laser Sources

    Science.gov (United States)

    2010-05-01

    Erbium Doped Fiber Amplifiers ( EDFAs ). An EDFA is essentially a normal optical fiber waveguide that has been lightly doped with a rare-earth...element, namely erbium (possibly co-doped with ytterbium to increase the pumping efficiency and gain). In a typical EDFA , 980 nm photons are used to

  19. Photocurrent measurements in chlorine-doped amorphous selenium

    NARCIS (Netherlands)

    Benkhedir, M.L.; Mansour, M.; Djefaflia, F.; Brinza, M.; Adriaenssens, G.J.

    2009-01-01

    Transient photocurrent (TPC) measurements have been carried out on evaporated a-Se films doped with either 12.5 or 67 ppm of Cl and compared with analogous measurements on undoped a-Se samples. The two doping levels lead to strikingly different resulting current traces. While the 12.5 ppm doping

  20. Doping Attitudes and Covariates of Potential Doping Behaviour in High-Level Team-Sport Athletes; Gender Specific Analysis

    Science.gov (United States)

    Sekulic, Damir; Tahiraj, Enver; Zvan, Milan; Zenic, Natasa; Uljevic, Ognjen; Lesnik, Blaz

    2016-01-01

    Team sports are rarely studied with regard to doping behaviour and doping-related factors regardless of their global popularity. This study aimed to investigate doping factors and covariates of potential doping behaviour in high-level team-sport athletes. The subjects were 457 high-performing, national- and international-level athletes (21.9 ± 3.4 years of age; 179 females) involved in volleyball (n = 77), soccer (n = 163), basketball (n = 114) and handball (n = 103). Previously validated self-administered questionnaires aimed at evidencing sport factors, doping-related factors, knowledge on sport nutrition and doping, and attitudes to performance enhancement were used. The results indicated a higher doping likelihood in male athletes, with a significant gender difference for basketball and handball. In males, a higher doping likelihood is found for athletes who had achieved better results at junior-age level, those who regularly consume dietary supplements, and who perceive their sport as being contaminated by doping. A higher sport achievement at senior-age level is protective against potential doping behaviour in males. In females, a higher likelihood of doping is evidenced in those athletes involved in binge drinking, while a lower tendency for doping is evidenced in female athletes who possess better knowledge on sport nutrition. Knowledge about doping is very low and thus education about doping is urgently needed. An improvement of knowledge on sport nutrition might be a potentially effective method for reducing the tendency for doping in females. Future studies should consider other approaches and theories, such as theory of planned behaviour and/or social-cognitive theory, in studying the problem of doping behaviour in team-sports. Key points The doping knowledge among Kosovar team-sport athletes is very low and systematic anti-doping education is urgently needed. The highest risk of doping behaviour in males is found for those athletes who had been

  1. Nitrogen doping study in ingot niobium cavities

    Energy Technology Data Exchange (ETDEWEB)

    Dhakal, Pashupati [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Ciovati, Gianluigi [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Kneisel, Peter [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Myneni, Ganapati Rao [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Makita, Junki [Old Dominion Univ., Norfolk, VA (United States)

    2015-09-01

    Thermal diffusion of nitrogen in niobium superconducting radio frequency cavities at temperature ~800 °C has resulted in the increase in quality factor with a low-field Q-rise extending to Bp > 90 mT. However, the maximum accelerating gradient of these doped cavities often deteriorates below the values achieved by standard treatments prior to doping. Here, we present the results of the measurements on ingot niobium cavities doped with nitrogen at 800 °C. The rf measurements were carried out after the successive electropolishing to remove small amount of material from the inner surface layer. The result showed higher breakdown field with lower quality factor as material removal increases.

  2. Erbium doped tellurite photonic crystal optical fiber

    Science.gov (United States)

    Osorio, Sergio P.; Fernandez, Enver; Rodriguez, Eugenio; Cesar, Carlos L.; Barbosa, Luiz C.

    2005-04-01

    In this work we present the fabrication of tellurite glass photonic crystal fiber doped with a very large erbium concentration. Tellurite glasses are important hosts for rare earth ions due to its very high solubility, which allows up to 10,000 ppm Er3+ concentrations. The photonic crystal optical fibers and tellurite glasses can be, therefore, combined in an efficient way to produce doped fibers for large bandwidth optical amplifiers. The preform was made of a 10 mm external diameter tellurite tube filled with an array of non-periodic tellurite capillaries and an erbium-doped telluride rod that constitute the fiber core. The preform was drawn in a Heathway Drawing Tower, producing fibers with diameters between 120 - 140 μm. We show optical microscope photography of the fiber"s transverse section. The ASE spectra obtained with a spectra analyzer show a red shift as the length of the optical fiber increases.

  3. Photoluminescence from Nd Doped Anodic Aluminium Oxide

    Institute of Scientific and Technical Information of China (English)

    ZHOU Zhang-Kai; PENG Xiao-Niu; SU Xiong-Rui; HAO Zhong-Hua

    2009-01-01

    We prepare Nd doped anodic aluminium oxide (Nd:AAO) template by using Nd doped aluminium foils through two-step anodization processes. Photoluminescence (PL) from the Nd:AAO template with the annealing temper-ature higher than 400℃ is observed, and the PL intensity enhanced with the increasing annealing temperature is found. We investigate the crystallization of Nd:AAO template and the excitation wavelength dependence of PL intensity, showing that the PL results from the Nd doped in the template. The approach presented may probably facilitate the fabricating of AAO with good light-emitting property, which can be used in fabrication of multifunctional nanosized films and may find applications in photonic devices.

  4. Iron (III) chloride doping of CVD graphene.

    Science.gov (United States)

    Song, Yi; Fang, Wenjing; Hsu, Allen L; Kong, Jing

    2014-10-03

    Chemical doping has been shown as an effective method of reducing the sheet resistance of graphene. We present the results of our investigations into doping large area chemical vapor deposition graphene using Iron (III) Chloride (FeCl(3)). It is shown that evaporating FeCl(3) can increase the carrier concentration of monolayer graphene to greater than 10(14) cm(-2) and achieve resistances as low as 72 Ω sq(-1). We also evaluate other important properties of the doped graphene such as surface cleanliness, air stability, and solvent stability. Furthermore, we compare FeCl(3) to three other common dopants: Gold (III) Chloride (AuCl(3)), Nitric Acid (HNO(3)), and TFSA ((CF(3)SO(2))(2)NH). We show that compared to these dopants, FeCl(3) can not only achieve better sheet resistance but also has other key advantages including better solvent stability.

  5. Gene doping: gene delivery for olympic victory.

    Science.gov (United States)

    Gould, David

    2013-08-01

    With one recently recommended gene therapy in Europe and a number of other gene therapy treatments now proving effective in clinical trials it is feasible that the same technologies will soon be adopted in the world of sport by unscrupulous athletes and their trainers in so called 'gene doping'. In this article an overview of the successful gene therapy clinical trials is provided and the potential targets for gene doping are highlighted. Depending on whether a doping gene product is secreted from the engineered cells or is retained locally to, or inside engineered cells will, to some extent, determine the likelihood of detection. It is clear that effective gene delivery technologies now exist and it is important that detection and prevention plans are in place.

  6. Fuel cells with doped lanthanum gallate electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Feng Man [Texas Univ., Austin, TX (United States). Center for Materials Science and Engineering; Goodenough, J.B. [Texas Univ., Austin, TX (United States). Center for Materials Science and Engineering; Huang Keqin [Texas Univ., Austin, TX (United States). Center for Materials Science and Engineering; Milliken, C. [Cerematec, Inc., Salt Lake City, UT (United States)

    1996-11-01

    Single cells with doped lanthanum gallate electrolyte material were constructed and tested from 600 to 800 C. Both ceria and the electrolyte material were mixed with NiO powder respectively to form composite anodes. Doped lanthanum cobaltite was used exclusively as the cathode material. While high power density from the solid oxide fuel cells at 800 C was achieved, our results clearly indicate that anode overpotential is the dominant factor in the power loss of the cells. Better anode materials and anode processing methods need to be found to fully utilize the high ionic conductivity of the doped lanthanum gallate and achieve higher power density at 800 C from solid oxide fuel cells. (orig.)

  7. Doping monolayer graphene with single atom substitutions

    KAUST Repository

    Wang, Hongtao

    2012-01-11

    Functionalized graphene has been extensively studied with the aim of tailoring properties for gas sensors, superconductors, supercapacitors, nanoelectronics, and spintronics. A bottleneck is the capability to control the carrier type and density by doping. We demonstrate that a two-step process is an efficient way to dope graphene: create vacancies by high-energy atom/ion bombardment and fill these vacancies with desired dopants. Different elements (Pt, Co, and In) have been successfully doped in the single-atom form. The high binding energy of the metal-vacancy complex ensures its stability and is consistent with in situ observation by an aberration-corrected and monochromated transmission electron microscope. © 2011 American Chemical Society.

  8. Molecular physics

    CERN Document Server

    Demtröder, Wolfgang

    2008-01-01

    The richly illustrated book comprehensively explains the important principles of diatomic and polyatomic molecules and their spectra in two separate, distinct parts. The first part concentrates on the theoretical aspects of molecular physics, such as the vibration, rotation, electronic states, potential curves, and spectra of molecules. The different methods of approximation for the calculation of electronic wave functions and their energy are also covered. The introduction of basics terms used in group theory and their meaning in molecular physics enables an elegant description of polyatomic

  9. Molecular pathways

    DEFF Research Database (Denmark)

    Cox, Thomas R; Erler, Janine Terra

    2014-01-01

    that 45% of deaths in the developed world are linked to fibrotic disease. Fibrosis and cancer are known to be inextricably linked; however, we are only just beginning to understand the common and overlapping molecular pathways between the two. Here, we discuss what is known about the intersection...... of fibrosis and cancer, with a focus on cancer metastasis, and highlight some of the exciting new potential clinical targets that are emerging from analysis of the molecular pathways associated with these two devastating diseases. Clin Cancer Res; 20(14); 3637-43. ©2014 AACR....

  10. Molecular modeling

    Directory of Open Access Journals (Sweden)

    Aarti Sharma

    2009-01-01

    Full Text Available The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and the exponential growth of the knowledge of protein structures have made it possible for organic compounds to be tailored to decrease the harmful side effects and increase the potency. This article provides a detailed description of the techniques employed in molecular modeling. Molecular modeling is a rapidly developing discipline, and has been supported by the dramatic improvements in computer hardware and software in recent years.

  11. Doping Attitudes and Covariates of Potential Doping Behaviour in High-Level Team-Sport Athletes; Gender Specific Analysis

    Directory of Open Access Journals (Sweden)

    Damir Sekulic, Enver Tahiraj, Milan Zvan, Natasa Zenic, Ognjen Uljevic, Blaz Lesnik

    2016-12-01

    Full Text Available Team sports are rarely studied with regard to doping behaviour and doping-related factors regardless of their global popularity. This study aimed to investigate doping factors and covariates of potential doping behaviour in high-level team-sport athletes. The subjects were 457 high-performing, national- and international-level athletes (21.9 ± 3.4 years of age; 179 females involved in volleyball (n = 77, soccer (n = 163, basketball (n = 114 and handball (n = 103. Previously validated self-administered questionnaires aimed at evidencing sport factors, doping-related factors, knowledge on sport nutrition and doping, and attitudes to performance enhancement were used. The results indicated a higher doping likelihood in male athletes, with a significant gender difference for basketball and handball. In males, a higher doping likelihood is found for athletes who had achieved better results at junior-age level, those who regularly consume dietary supplements, and who perceive their sport as being contaminated by doping. A higher sport achievement at senior-age level is protective against potential doping behaviour in males. In females, a higher likelihood of doping is evidenced in those athletes involved in binge drinking, while a lower tendency for doping is evidenced in female athletes who possess better knowledge on sport nutrition. Knowledge about doping is very low and thus education about doping is urgently needed. An improvement of knowledge on sport nutrition might be a potentially effective method for reducing the tendency for doping in females. Future studies should consider other approaches and theories, such as theory of planned behaviour and/or social-cognitive theory, in studying the problem of doping behaviour in team-sports.

  12. Magnetic amphiphilic hybrid carbon nanotubes containing N-doped and undoped sections: powerful tensioactive nanostructures

    Science.gov (United States)

    Purceno, Aluir D.; Machado, Bruno F.; Teixeira, Ana Paula C.; Medeiros, Tayline V.; Benyounes, Anas; Beausoleil, Julien; Menezes, Helvecio C.; Cardeal, Zenilda L.; Lago, Rochel M.; Serp, Philippe

    2014-11-01

    In this work, unique amphiphilic magnetic hybrid carbon nanotubes (CNTs) are synthesized and used as tensioactive nanostructures in different applications. These CNTs interact very well with aqueous media due to the hydrophilic N-doped section, whereas the undoped hydrophobic one has strong affinity for organic molecules. The amphiphilic character combined with the magnetic properties of these CNTs opens the door to completely new and exciting applications in adsorption science and catalysis. These amphiphilic N-doped CNTs can also be used as powerful tensioactive emulsification structures. They can emulsify water/organic mixtures and by a simple magnetic separation the emulsion can be easily broken. We demonstrate the application of these CNTs in the efficient adsorption of various molecules, in addition to promoting biphasic processes in three different reactions, i.e. transesterification of soybean oil, quinoline extractive oxidation with H2O2 and a metal-catalyzed aqueous oxidation of heptanol with molecular oxygen.In this work, unique amphiphilic magnetic hybrid carbon nanotubes (CNTs) are synthesized and used as tensioactive nanostructures in different applications. These CNTs interact very well with aqueous media due to the hydrophilic N-doped section, whereas the undoped hydrophobic one has strong affinity for organic molecules. The amphiphilic character combined with the magnetic properties of these CNTs opens the door to completely new and exciting applications in adsorption science and catalysis. These amphiphilic N-doped CNTs can also be used as powerful tensioactive emulsification structures. They can emulsify water/organic mixtures and by a simple magnetic separation the emulsion can be easily broken. We demonstrate the application of these CNTs in the efficient adsorption of various molecules, in addition to promoting biphasic processes in three different reactions, i.e. transesterification of soybean oil, quinoline extractive oxidation with H2O2 and

  13. Charge transfer at organic-organic heterojunctions, and remote doping of a pentacene transistor

    Science.gov (United States)

    Zhao, Wei

    Organic-organic heterojunctions (OOHs) are the fundamental building blocks of organic devices, such as organic light-emitting diodes, organic photovoltaic cells, and photo detectors. Transport of free electrons and holes, exciton formation, recombination or dissociation, and various other physical processes all take place in OOHs. Understanding the electronic structures of OOH is critical for studying device physics and further improving the performance of organic devices. This work focuses on the electronic structure, i.e., the energy level alignment, at OOHs, investigated by ultraviolet and inverse photoemission spectroscopy (UPS and IPES). The weak interaction that generally prevails at OOH interfaces leads to small interface dipoles of 0˜0.5eV. The experimental observations on the majority of OOHs studied can be semi-quantitatively predicted by the model derived from the induced density of interface states and charge neutrality level (IDIS/CNL). However, we also find that the electronic structure of interfaces between two small-band-gap semiconductors, e.g., using copper phthalocyanine (CuPc) as the donor and a tris(thieno)-hexaazatriphenylene derivative (THAP) as the acceptor, is strongly influenced by changes in the substrate work function. In these cases, the charge transfer that takes place at the interface is governed by thermodynamic equilibrium, dominating any subtle interaction due to IDIS/CNL. The impact of doping on the energy level alignment of OOHs is also studied. The charges donated by the dopant molecules transfer from the parent doped layer to the adjacent undoped layer, taking advantage of the molecular level offset, and are then spatially separated from the dopant molecules. Remote doping, based on this charge transfer mechanism, is demonstrated with the heterojunction formed between pentacene and N,N'-diphenyl-N,N'-bis(1-naphthyl)-1,1'bisphenyl-4,4'diazine (alpha-NPD) p-doped with tris[1,2-bis(trifluoromethyl) ethane-1,2-dithiolene] (Mo

  14. Gene doping in sport - perspectives and risks.

    Science.gov (United States)

    Brzeziańska, E; Domańska, D; Jegier, A

    2014-12-01

    In the past few years considerable progress regarding the knowledge of the human genome map has been achieved. As a result, attempts to use gene therapy in patients' management are more and more often undertaken. The aim of gene therapy is to replace defective genes in vivo and/or to promote the long-term endogenous synthesis of deficient protein. In vitro studies improve the production of human recombinant proteins, such as insulin (INS), growth hormone (GH), insulin-like growth factor-1 (IGF-1) and erythropoietin (EPO), which could have therapeutic application. Unfortunately, genetic methods developed for therapeutic purposes are increasingly being used in competitive sports. Some new substances (e.g., antibodies against myostatin or myostatin blockers) might be used in gene doping in athletes. The use of these substances may cause an increase of body weight and muscle mass and a significant improvement of muscle strength. Although it is proven that uncontrolled manipulation of genetic material and/or the introduction of recombinant proteins may be associated with health risks, athletes are increasingly turning to banned gene doping. At the same time, anti-doping research is undertaken in many laboratories around the world to try to develop and refine ever newer techniques for gene doping detection in sport. Thanks to the World Anti-Doping Agency (WADA) and other sports organizations there is a hope for real protection of athletes from adverse health effects of gene doping, which at the same time gives a chance to sustain the idea of fair play in sport.

  15. Ferroelectricity in yttrium-doped hafnium oxide

    OpenAIRE

    Müller, J.; Schröder, U; Böscke, T. S.; Müller, I.; U. Böttger; De Wilde, L; Sundqvist, J.; Lemberger, M.; Kücher, P.; Mikolajick, T; Frey, Lothar

    2012-01-01

    Structural and electrical evidence for a ferroelectric phase in yttrium doped hafnium oxide thin films is presented. A doping series ranging from 2.3 to 12.3 mol% YO1.5 in HfO2 was deposited by a thermal atomic layer deposition process. Grazing incidence X-ray diffraction of the 10 nm thick films revealed an orthorhombic phase close to the stability region of the cubic phase. The potential ferroelectricity of this orthorhombic phase was confirmed by polarization hysteresis measurements on tit...

  16. Hierarchically structured, nitrogen-doped carbon membranes

    KAUST Repository

    Wang, Hong

    2017-08-03

    The present invention is a structure, method of making and method of use for a novel macroscopic hierarchically structured, nitrogen-doped, nano-porous carbon membrane (HNDCMs) with asymmetric and hierarchical pore architecture that can be produced on a large-scale approach. The unique HNDCM holds great promise as components in separation and advanced carbon devices because they could offer unconventional fluidic transport phenomena on the nanoscale. Overall, the invention set forth herein covers a hierarchically structured, nitrogen-doped carbon membranes and methods of making and using such a membranes.

  17. Structure of doped polyaniline - dielectric spectroscopy measurements

    OpenAIRE

    Diaz Calleja, R.; Matveeva, E.

    1993-01-01

    The role of doping reagents (residual water and acid anions) in determining the electric properties of a chemically synthesized polyaniline (PANI) was studied using a dielectric spectroscopy method. Dependencies of dielectric losses and susceptibility of PANI as the functions of temperature (-100 ÷ +100°C) and electric field frequency (0.3 ÷ 30000 Hz) were examined at it was shown that water acts as a doping impurity similar to acid anions. The model is proposed to explain the role of water i...

  18. Structure of doped polyaniline - dielectric spectroscopy measurements

    Energy Technology Data Exchange (ETDEWEB)

    Diaz Calleja, R. (Polytechnical Univ. of Valencia, Valencia (Spain)); Matveeva, E.S. (Polytechnical Univ. of Valencia, Valencia (Spain))

    1993-11-01

    The role of doping reagents (residual water and acid anions) in determining the electric properties of a chemically synthesized polyaniline (PANI) was studied using a dielectric spectroscopy method. Dependencies of dielectric losses and susceptibility of PANI as the functions of temperature (-100 / + 100 C) and electric field frequency (0.3 / 30000 Hz) were examined at it was shown that water acts as a doping impurity similar to acid anions. The model is proposed to explain the role of water in terms of adsorption of H[sub 2]O molecules at nitrogen cites of PANI chain and their dissociation. (orig.).

  19. Molecular gastronomy

    Science.gov (United States)

    This, Hervé

    2005-01-01

    For centuries, cooks have been applying recipes without looking for the mechanisms of the culinary transformations. A scientific discipline that explores these changes from raw ingredients to eating the final dish, is developing into its own field, termed molecular gastronomy. Here, one of the founders of the discipline discusses its aims and importance.

  20. Molecular farming

    NARCIS (Netherlands)

    Merck, K.B.; Vereijken, J.M.

    2006-01-01

    Molecular Farming is a new and emerging technology that promises relatively cheap and flexible production of large quantities of pharmaceuticals in genetically modified plants. Many stakeholders are involved in the production of pharmaceuticals in plants, which complicates the discussion on the poss

  1. Current anti-doping policy: a critical appraisal

    Directory of Open Access Journals (Sweden)

    Mauron Alexandre

    2007-03-01

    Full Text Available Abstract Background Current anti-doping in competitive sports is advocated for reasons of fair-play and concern for the athlete's health. With the inception of the World Anti Doping Agency (WADA, anti-doping effort has been considerably intensified. Resources invested in anti-doping are rising steeply and increasingly involve public funding. Most of the effort concerns elite athletes with much less impact on amateur sports and the general public. Discussion We review this recent development of increasingly severe anti-doping control measures and find them based on questionable ethical grounds. The ethical foundation of the war on doping consists of largely unsubstantiated assumptions about fairness in sports and the concept of a "level playing field". Moreover, it relies on dubious claims about the protection of an athlete's health and the value of the essentialist view that sports achievements reflect natural capacities. In addition, costly antidoping efforts in elite competitive sports concern only a small fraction of the population. From a public health perspective this is problematic since the high prevalence of uncontrolled, medically unsupervised doping practiced in amateur sports and doping-like behaviour in the general population (substance use for performance enhancement outside sport exposes greater numbers of people to potential harm. In addition, anti-doping has pushed doping and doping-like behaviour underground, thus fostering dangerous practices such as sharing needles for injection. Finally, we argue that the involvement of the medical profession in doping and anti-doping challenges the principles of non-maleficience and of privacy protection. As such, current anti-doping measures potentially introduce problems of greater impact than are solved, and place physicians working with athletes or in anti-doping settings in an ethically difficult position. In response, we argue on behalf of enhancement practices in sports within a

  2. Strong adsorption of Al-doped carbon nanotubes toward cisplatin

    Science.gov (United States)

    Li, Wei; Li, Guo-Qing; Lu, Xiao-Min; Ma, Juan-Juan; Zeng, Peng-Yu; He, Qin-Yu; Wang, Yin-Zhen

    2016-08-01

    The adsorption of cisplatin molecule on Al-doped CNTs is investigated using density functional theory. The obtained results indicate that Al-doped carbon nanotubes can strongly absorb cisplatin. After absorbing cisplatin, the symmetry of CNTs has some changes. We innovatively defined a parameter of symmetry variation which relates to the adsorption. By analyzing the electronic structure, it can be concluded that under the circumstance that cisplatin was absorbed by Al-doped CNTs through aluminum atom of Al-doped CNTs. In conclusion, Al-doped CNTs is a kind of potential delivery carrier with high quality for anticancer drug cisplatin.

  3. Asymmetrically doped stacked channel strained SOI FinFET

    Science.gov (United States)

    Dubey, Shashank; Kondekar, Pravin N.

    2017-02-01

    Strained SOI (SSOI) n-channel trigate FinFET is designed with asymmetrically doped stacked channels along the fin height. The OFF current is reduced with respect to lightly doped uniform SSOI FinFET because of band gap modification, originated between highly doped uniaxial strained and lightly doped Si fin. Through TCAD simulation it is observed that for the stacked devices the OFF current is reduced by more than 47%. The performances are also compared with highly doped uniform SSOI FinFETs and the results indicated that these devices have lesser random dopant variation at a moderate cost of ON and OFF current.

  4. Disorder-induced enhancement of conductance in doped nanowires

    Institute of Scientific and Technical Information of China (English)

    Xu Ning; Wang Bao-Lin; Sun Hou-Qian; Kong Fan-Jie

    2010-01-01

    A new mechanism is proposed to explain the enhancement of conductance in doped nanowires. It is shown that the anomalous enhancement of conductance is due to surface doping. The conductance in doped nanowires increases with dopant concentration, which is qualitatively consistent with the existing experimental results. In addition, the I-V curves are linear and thus suggest that the metal electrodes make ohmic contacts to the shell-doped nanowires.The electric current increases with wire diameter (D) and decreases exponentially with wire length (L). Therefore, the doped nanowires have potential application in nanoscale electronic and optoelectronic devices.

  5. Current anti-doping policy: a critical appraisal.

    Science.gov (United States)

    Kayser, Bengt; Mauron, Alexandre; Miah, Andy

    2007-03-29

    Current anti-doping in competitive sports is advocated for reasons of fair-play and concern for the athlete's health. With the inception of the World Anti Doping Agency (WADA), anti-doping effort has been considerably intensified. Resources invested in anti-doping are rising steeply and increasingly involve public funding. Most of the effort concerns elite athletes with much less impact on amateur sports and the general public. We review this recent development of increasingly severe anti-doping control measures and find them based on questionable ethical grounds. The ethical foundation of the war on doping consists of largely unsubstantiated assumptions about fairness in sports and the concept of a "level playing field". Moreover, it relies on dubious claims about the protection of an athlete's health and the value of the essentialist view that sports achievements reflect natural capacities. In addition, costly antidoping efforts in elite competitive sports concern only a small fraction of the population. From a public health perspective this is problematic since the high prevalence of uncontrolled, medically unsupervised doping practiced in amateur sports and doping-like behaviour in the general population (substance use for performance enhancement outside sport) exposes greater numbers of people to potential harm. In addition, anti-doping has pushed doping and doping-like behaviour underground, thus fostering dangerous practices such as sharing needles for injection. Finally, we argue that the involvement of the medical profession in doping and anti-doping challenges the principles of non-maleficience and of privacy protection. As such, current anti-doping measures potentially introduce problems of greater impact than are solved, and place physicians working with athletes or in anti-doping settings in an ethically difficult position. In response, we argue on behalf of enhancement practices in sports within a framework of medical supervision. Current anti-doping

  6. ZnS:N and ZnS:N,Ag grown by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Ichino, K.; Kotani, A.; Tanaka, H.; Kawai, T. [Department of Information and Electronics, Tottori University, 4-101 Koyama-minami, Tottori 680-8552 (Japan)

    2010-06-15

    The N-doping conditions have been investigated in the growth of ZnS:N by molecular beam epitaxy using RF plasma of N{sub 2} gas. As a result, high growth temperatures are found to be suitable for the effective incorporation and the activation of N acceptors. The capacitance versus voltage data of the ZnS:N layers grown at around 350 C exhibit p-type behavior, while the undoped layers show an n-type characteristic due to residual donors. ZnS:N,Ag epitaxial layers were also grown to investigate the effect of Ag-co-doping. It is shown that the p-type behavior of the N-doped layers is enhanced by the Ag-co-doping. This suggests the formation of Ag-related complex centers compensating residual donors (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Density functional theory (DFT) study of a new novel bionanosensor hybrid; tryptophan/Pd doped single walled carbon nanotube

    Science.gov (United States)

    Yoosefian, Mehdi; Etminan, Nazanin

    2016-07-01

    In order to explore a new novel L-amino acid/transition metal doped single walled carbon nanotube based biosensor, density functional theory calculations were studied. These hybrid structures of organic-inorganic nanobiosensors are able to detect the smallest amino acid building block of proteins. The configurations of amine and carbonyl group coordination of tryptophan aromatic amino acid adsorbed on Pd/doped single walled carbon nanotube were compared. The frontier molecular orbital theory, quantum theory atom in molecule and natural bond orbital analysis were performed. The molecular electrostatic potential and the electron density surfaces were constructed. The calculations indicated that the Pd/SWCNT was sensitive to tryptophan suggesting the importance of interaction with biological molecule and potential detecting application. The proposed nanobiosensor represents a highly sensitive detection of protein at ultra-low concentration in diagnosis applications.

  8. Effect of chemical doping on the visible emission in Cu ions doped perovskite zirconates

    Science.gov (United States)

    Lee, D. J.; Lee, Y. S.

    2016-08-01

    We investigated the effect of the chemical doping on the visible emission of the Cu-ion-doped perovskite zirconates. We synthesized the Cu-ion-doped Sr1- x Ca x ZrO3 (SCZO:Cu) compounds ( x = 0 - 1), where the structural distortion and the chemical disorder were tuned due to the ionic size difference between Sr2+ and Ca2+. The nominal doping concentration of Cu ion was chosen to be 1%. We found that the visible emission in SCZO:Cu was suppressed dramatically with the substitution of Ca2+ for Sr2+ ( x > 0). The violet emission was more susceptible to the structural distortion than the orange and the green emissions. These experimental findings were discussed in relation to the electronic properties of SCZO:Cu.

  9. Nickel doped zinc oxide nanoparticles produced by hydrothermal decomposition of nickel-doped zinc hydroxide nitrate

    Institute of Scientific and Technical Information of China (English)

    Mohammad Yeganeh Ghotbi

    2012-01-01

    Zinc hydroxide nitrate,an anionic exchanger layered material,undoped as well as doped with 2-10% nickel,was synthesized by using a pH-controlled precipitation method.The layered materials were then used to produce the undoped and nickel-doped zinc oxides by hydrothermal-treatment.X-ray diffraction,Fourier transform infrared spectroscopy and scanning electron microscopy confirmed the formation of pure phase undoped and nickel-doped layered materials,as well as the products of the hydrothermaltreated materials,nanostructured zinc oxides.Optical studies of the nanostructured zinc oxides showed a decrease in band gap with increasing content of the doping agent,nickel.

  10. The effects of copper doping on photocatalytic activity at (101) planes of anatase TiO{sub 2}: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Assadi, M. Hussein N., E-mail: assadi@aquarius.mp.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Osaka 560-8531, Japan, (Japan); Hanaor, Dorian A.H. [School of Civil Engineering, University of Sydney, NSW 2006 (Australia)

    2016-11-30

    Highlights: • We present DFT simulation of H{sub 2}O on pristine and Cu doped a-TiO{sub 2} (101) surface. • On both pristine and Cu doped surfaces, associative water adsorption is favourable. • Cu’s disperse configuration suggests formation of secondary CuO is unfavourable. • The calculations with GGA and GGA + vdW functionals render the same trends. - Abstract: Copper dopants are varyingly reported to enhance photocatalytic activity at titanium dioxide surfaces through uncertain mechanisms. In order to interpret how copper doping might alter the performance of titanium dioxide photocatalysts in aqueous media we applied density functional theory methods to simulate surface units of doped anatase (101) planes. By including van der Waals interactions, we consider the energetics of adsorbed water at anatase surfaces in pristine and copper doped systems. Simulation results indicate that copper dopant at anatase (101) surfaces is most stable in a 2+ oxidation state and a disperse configuration, suggesting the formation of secondary CuO phases is energetically unfavourable. In agreement with previous reports, water at the studied surface is predicted to exhibit molecular adsorption with this tendency slightly enhanced by copper. Results imply that the enhancement of photoactivity at anatase surfaces through Cu doping is more likely to arise from electronic interactions mediated by charge transfer and inter-bandgap states increasing photoexcitation and extending surface-hole lifetimes rather than through the increased density of adsorbed hydroxyl groups.

  11. Doping use among tertiary education students in six developed countries.

    Science.gov (United States)

    Papadopoulos, Fotios C; Skalkidis, Ilias; Parkkari, Jari; Petridou, Eleni

    2006-01-01

    Data on doping among young non-professional athletes are scarce. In order to estimate the prevalence and predictors of doping use, a standardized, anonymous questionnaire was self-administered by 2650 tertiary education students from five European Union countries (Finland, France, Germany, Greece, Italy) and Israel. The reported usage rate of a doping agent (at least once) was 2.6%, with no significant variation in the frequency of doping reporting among the participating countries. Doping was, however, less common among students of biomedical schools (OR: 0.49, 95% CI: 0.27-0.89) and was higher among males (OR: 2.16, 95% CI: 1.25-3.74). Students, who use to drink coffee or recall frequent occasions of involvement in drunkenness episodes, were more likely (twice and three times, respectively) to report doping, and students using nutritional supplements or having participated in a major athletic event were more likely (four times and twice, respectively) to report doping in comparison with students who do not. Of note is the high odds ratio for reporting individual doping when having a friend who uses doping (OR: 8.61, 95% CI: 4.49-16.53). Given the large size of the physically active young individuals in the population and the small number of professional athletes, doping in the general population may be, in absolute terms, as sizeable problem as it is among the professional athletes. There was evidence that high-risk behaviour and supplement use increased the risk of doping.

  12. Using the prototype willingness model to predict doping in sport.

    Science.gov (United States)

    Whitaker, L; Long, J; Petróczi, A; Backhouse, S H

    2014-10-01

    To enable preventive measures to be designed, it is important to identify modifiable distal and proximal factors underlying doping behavior. This study investigated aspects of the prototype willingness model in relation to doping. A cross-sectional study was conducted involving 729 competitive athletes. Following ethical approval, athletes (mean age = 28.8 ± 10.1 years; 63% male) completed an online questionnaire, which assessed doping-related attitudes, norms, prototype perceptions, outcome expectancies, and behavioral willingness. Using hierarchical multiple regression analysis, 54.4% of the total variance in willingness to dope was explained. Specifically, past doping, attitudes, and favorability of performance enhancing substance user prototypes were the strongest unique predictors of willingness to dope. Athletes appeared most willing to dope if they were to suffer an injury, a dip in performance, or think others are doping and getting away with it. National-level athletes displayed significantly greater willingness to dope (Kruskal-Wallis γ2 = 35.9, P doping provision beyond elite-level sport and the need to target athletes' doping-related perceptions.

  13. Effects of Different Doping Ratio of Cu Doped CdS on QDSCs Performance

    Directory of Open Access Journals (Sweden)

    Xiaojun Zhu

    2015-01-01

    Full Text Available We use the successive ionic layer adsorption and reaction (SILAR method for the preparation of quantum dot sensitized solar cells, to improve the performance of solar cells by doping quantum dots. We tested the UV-Vis absorption spectrum of undoped CdS QDSCs and Cu doped CdS QDSCs with different doping ratios. The doping ratios of copper were 1 : 100, 1 : 500, and 1 : 1000, respectively. The experimental results show that, under the same SILAR cycle number, Cu doped CdS quantum dot sensitized solar cells have higher open circuit voltage, short circuit current density photoelectric conversion efficiency than undoped CdS quantum dots sensitized solar cells. Refinement of Cu doping ratio are 1 : 10, 1 : 100, 1 : 200, 1 : 500, and 1 : 1000. When the proportion of Cu and CdS is 1 : 10, all the parameters of the QDSCs reach the minimum value, and, with the decrease of the proportion, the short circuit current density, open circuit voltage, and the photoelectric conversion efficiency are all increased. When proportion is 1 : 500, all parameters reach the maximum values. While with further reduction of the doping ratio of Cu, the parameters of QDSCs have a decline tendency. The results showed that, in a certain range, the lower the doping ratio of Cu, the better the performance of quantum dot sensitized solar cell.

  14. Inefficiency of the anti-doping system: cost reduction proposals.

    Science.gov (United States)

    Maennig, Wolfgang

    2014-07-01

    The anti-doping system, under the guidance of WADA, costs at least $228 million per year, mostly to cover the cost of performing about 270,000 doping tests. However, "testing has not proven to be particularly effective in detecting dopers/cheats" (WADA). It is suggested, competitions of doping-endangered disciplines be redesigned. Sports with numerous doping cases should be temporarily excluded from the Olympic program and not be televised. Pecuniary fines should be higher and collection guaranteed by a deferred compensation model. Sports with multiple doping offenses should bear most of the anti-doping costs. Finally, appropriate tenders should guarantee fees of anti-doping laboratories develop more competitively.

  15. Doped semiconductor nanocrystal based fluorescent cellular imaging probes.

    Science.gov (United States)

    Maity, Amit Ranjan; Palmal, Sharbari; Basiruddin, S K; Karan, Niladri Sekhar; Sarkar, Suresh; Pradhan, Narayan; Jana, Nikhil R

    2013-06-21

    Doped semiconductor nanocrystals such as Mn doped ZnS, Mn doped ZnSe and Cu doped InZnS, are considered as new classes of fluorescent biological probes with low toxicity. Although the synthesis in high quality of such nanomaterials is now well established, transforming them into functional fluorescent probes remains a challenge. Here we report a fluorescent cellular imaging probe made of high quality doped semiconductor nanocrystals. We have identified two different coating approaches suitable for transforming the as synthesized hydrophobic doped semiconductor nanocrystals into water-soluble functional nanoparticles. Following these approaches we have synthesized TAT-peptide- and folate-functionalized nanoparticles of 10-80 nm hydrodynamic diameter and used them as a fluorescent cell label. The results shows that doped semiconductor nanocrystals can be an attractive alternative for conventional cadmium based quantum dots with low toxicity.

  16. Charge partitioning and anomalous hole doping in Rh-doped Sr2IrO4

    Science.gov (United States)

    Chikara, S.; Fabbris, G.; Terzic, J.; Cao, G.; Khomskii, D.; Haskel, D.

    2017-02-01

    The simultaneous presence of sizable spin-orbit interactions and electron correlations in iridium oxides has led to predictions of novel ground states including Dirac semimetals, Kitaev spin liquids, and superconductivity. Electron and hole doping studies of spin-orbit assisted Mott insulator Sr2Ir O4 are being intensively pursued due to extensive parallels with the La2CuO4 parent compound of cuprate superconductors. In particular, the mechanism of charge doping associated with replacement of Ir with Rh ions remains controversial with profound consequences for the interpretation of electronic structure and transport data. Using x-ray absorption near edge structure measurements at the Rh L, K, and Ir L edges we observe anomalous evolution of charge partitioning between Rh and Ir with Rh doping. The partitioning of charge between Rh and Ir sites progresses in a way that holes are initially doped into the Jeff=1 /2 band at low x only to be removed from it at higher x values. This anomalous hole doping naturally explains the reentrant insulating phase in the phase diagram of Sr2Ir1 -xRhxO4 and ought to be considered when searching for superconductivity and other emergent phenomena in iridates doped with 4 d elements.

  17. Optical limiting in semiconductor-doped glasses

    Science.gov (United States)

    Bindra, K. S.; Oak, S. M.; Rustagi, K. C.

    1996-02-01

    We report optical limiting at 527 nm in two Schott semiconductor-doped glasses OG530 and OG515. These two glasses show quite contrasting nonlinear optical behaviour. The glass OG515 shows strong clamping while OG530 shows no clamping in optical limiting inspite of having much larger nonlinear refractive index. Similarly OG530 exhibits saturation of absorption while OG515 does not.

  18. Neutron transmutation doping of silicon by magnesium

    Energy Technology Data Exchange (ETDEWEB)

    Sobolev, N.A.; Shek, E.I. (A.F. Ioffe Physico-Technical Inst., Saint Petersburg (Russian Federation)); Shabalin, E.P. (Joint Inst. for Nuclear Research, Dubna (Russian Federation). Lab. of Neutron Physics)

    1993-11-01

    We have demonstrated that irradiation of silicon by fast neutrons and subsequent annealing lead to doping due to formation of Mg-related centers. The impurity introduction rates were calculated as a result of transmutation reactions during irradiation in the IBR-30 reactor. The behaviour of the resistivity of irradiated samples during annealing was studied. (author).

  19. Polypyrrole Doped with Alkyl Benzene Sulphonates

    DEFF Research Database (Denmark)

    Bay, Lasse; Mogensen, Naja; Skaarup, Steen

    2002-01-01

    The properties of polypyrrole (PPy) are to a large extent determined by the condition of synthesis and especially by the counterion incorporated as dopant during synthesis. In this work, PPy doped with different alkyl benzenesulfonates are compared. The polymer films are prepared by constant...

  20. Electron Doping a Kagome Spin Liquid

    Science.gov (United States)

    Kelly, Z. A.; Gallagher, M. J.; McQueen, T. M.

    2016-10-01

    Herbertsmithite, ZnCu3 (OH )6Cl2 , is a two-dimensional kagome lattice realization of a spin liquid, with evidence for fractionalized excitations and a gapped ground state. Such a quantum spin liquid has been proposed to underlie high-temperature superconductivity and is predicted to produce a wealth of new states, including a Dirac metal at 1 /3 electron doping. Here, we report the topochemical synthesis of electron-doped ZnLix Cu3 (OH )6Cl2 from x =0 to x =1.8 (3 /5 per Cu2 + ). Contrary to expectations, no metallicity or superconductivity is induced. Instead, we find a systematic suppression of magnetic behavior across the phase diagram. Our results demonstrate that significant theoretical work is needed to understand and predict the role of doping in magnetically frustrated narrow band insulators, particularly the interplay between local structural disorder and tendency toward electron localization, and pave the way for future studies of doped spin liquids.

  1. Thermal expansion of doped lanthanum gallates

    Indian Academy of Sciences (India)

    K T Jacob; S Jain; V S Saji; P V K Srikanth

    2010-08-01

    Thermal expansion of several compositions of Sr and Mg-doped LaGaO3 including an -site deficient composition (La0.9Sr0.1)0.98(Ga0.8Mg0.2)O2.821 were measured in the temperature range from 298 to 1273 K. The effect of doping on thermal expansion was studied by varying the composition at one site of the perovskite structure (either or ), while keeping the composition at the other site invariant. Thermal expansion varied nonlinearly with temperature and exhibited an inflexion between 550 and 620 K, probably related to the change in crystal structure from orthorhombic to rhombohedral. The dependence of average thermal expansion coefficient (av) on the dopant concentration on either or site of the perovskite structure was found to be linear, when the composition at the other site was kept constant. Mg doping on the -site had a greater effect on the average thermal expansion coefficient than Sr doping on the -site. Cation deficiency at the -site decreases thermal expansion when compositions at both sites are held constant.

  2. Silver doped metal layers for medical applications

    Science.gov (United States)

    Kocourek, T.; Jelínek, M.; Mikšovský, J.; Jurek, K.; Weiserová, M.

    2014-04-01

    Biological, physical and mechanical properties of silver-doped layers of titanium alloy Ti6Al4V and 316L steel prepared by pulsed laser deposition were studied. Metallic silver-doped coatings could be a new route for antibacterial protection in medicine. Thin films of silver and silver-doped materials were synthesized using KrF excimer laser deposition. The materials were ablated from two targets, which were composed either from titanium alloy with silver segments or from steel with silver segments. The concentration of silver ranged from 1.54 at% to 4.32 at% for steel and from 3.04 at% to 13.05 at% for titanium alloy. The layer properties such as silver content, structure, adhesion, surface wettability, and antibacterial efficacy (evaluated by Escherichia coli and Bacillus subtilis bacteria) were measured. Film adhesion was studied using scratch test. The antibacterial efficacy changed with silver doping up to 99.9 %. Our investigation was focused on minimum Ag concentration needed to reach high antibacterial efficiency, high film adhesion, and hardness.

  3. Synthesis, spectroscopy and simulation of doped nanocrystals

    NARCIS (Netherlands)

    Suyver, Jan Frederik

    2003-01-01

    This thesis deals with the properties of semiconductor nanocrystals (ZnS or ZnSe) in the size range (diameter) of 2 nm to 10 nm. The nanocrystals under investigation are doped with the transition metal ions manganese or copper. The goal is to study photoluminescence and electroluminescence from

  4. Blood doping : infusions, erythropoietin and artificial blood.

    Science.gov (United States)

    Eichner, E Randy

    2007-01-01

    As science marches on, athletes and coaches march close behind. Researchers have long been interested in how red cell mass and blood volume affect exercise capacity. Interest in blood doping soared after the 1968 Mexico City Olympics. Studies in the 1970s and 1980s suggested that transfusing red cells could speed endurance performance. Diverse athletes of the time were accused of blood doping. In the late 1980s, recombinant human erythropoietin (EPO) began to supplant transfusion for doping. EPO use is a suspect in nearly 20 deaths in 4 years in European cyclists. In the 1998 Tour de France, a team was ejected for using EPO and six other teams quit the race. The beat goes on; in recent years, diverse endurance and sprint athletes have been caught or accused of using EPO. Tests to detect EPO are improving but are not yet foolproof. As EPO tests improve, blood transfusion is back in vogue and some athletes may have infused artificial blood. Tests for detecting artificial blood also exist, but it seems it will take widespread, year-round, unannounced, out-of-competition testing and stern penalties to deter blood doping.

  5. Self-activating and doped tantalate phosphors.

    Energy Technology Data Exchange (ETDEWEB)

    Nyman, May Devan; Rohwer, Lauren Elizabeth Shea

    2011-01-01

    An ideal red phosphor for blue LEDs is one of the biggest challenges for the solid-state lighting industry. The appropriate phosphor material should have good adsorption and emission properties, good thermal and chemical stability, minimal thermal quenching, high quantum yield, and is preferably inexpensive and easy to fabricate. Tantalates possess many of these criteria, and lithium lanthanum tantalate materials warrant thorough investigation. In this study, we investigated red luminescence of two lithium lanthanum tantalates via three mechanisms: (1) Eu-doping, (2) Mn-doping and (3) self-activation of the tantalum polyhedra. Of these three mechanisms, Mn-doping proved to be the most promising. These materials exhibit two very broad adsorption peaks; one in the UV and one in the blue region of the spectrum; both can be exploited in LED applications. Furthermore, Mn-doping can be accomplished in two ways; ion-exchange and direct solid-state synthesis. One of the two lithium lanthanum tantalate phases investigated proved to be a superior host for Mn-luminescence, suggesting the crystal chemistry of the host lattice is important.

  6. Electronic properties of magnetically doped nanotubes

    Indian Academy of Sciences (India)

    Keivan Esfarjani; Z Chen; Y Kawazoe

    2003-01-01

    Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr).

  7. Er-doped aluminium oxide waveguide amplifiers

    NARCIS (Netherlands)

    Pollnau, M.

    2008-01-01

    Within the EU STREP project "Photonic integrated devices in activated amorphous and crystalline oxides" (PI-OXIDE, http://pi-oxide.el.utwente.nl/), 6 partners are developing integrated optical devices based on erbium-doped layers of amorphous $Al_2O_3$ and crystalline $Y_2O_3)$. In $Al_2O_3$:Er chan

  8. Confidentiality, disclosure and doping in sports medicine.

    Science.gov (United States)

    McNamee, M; Phillips, N

    2011-03-01

    The manner in which healthcare and medical professionals serve their athlete patients is governed by a variety of relevant codes of conduct. A range of codified rules is presented that refer both the welfare of the patient and the maintaining of confidentiality, which is at the heart of trustworthy relations. The 2009 version of the World Anti-Doping Code (WADC), however, appears to oblige all healthcare professionals not to assist athletes if they are known to be engaged in doping behaviours under fear of removal from working with athletes from the respective sports. In contrast, serving the best interests of their athlete patients may oblige healthcare professionals to give advice and guidance, not least in terms of harm minimisation. In so far as the professional conduct of a healthcare professional is guided both by professional code and World Anti-Doping Code, they are obliged to fall foul of one or the other. We call for urgent and pressing inter-professional dialogue with the World Anti-Doping Agency to clarify this situation.

  9. Control al doping Compromiso de Colombia

    Directory of Open Access Journals (Sweden)

    Claudia Prieto

    2015-06-01

    Full Text Available Este documento da a conocer la importante noticia de la aprobación, por parte del Comité Olímpico Internacional (COl, de un laboratorio colombiano, para el control al doping, a la vez que aprovecha la oportunidad para ampliar alguna información sobre este tema.

  10. Carbon dioxide sorption in a nanoporous octahedral molecular sieve

    Science.gov (United States)

    Williamson, Izaak; Nelson, Eric B.; Li, Lan

    2015-08-01

    We have performed first-principles density functional theory calculations, incorporated with van der Waals interactions, to study CO2 adsorption and diffusion in nanoporous solid—OMS-2 (Octahedral Molecular Sieve). We found the charge, type, and mobility of a cation, accommodated in a porous OMS-2 material for structural stability, can affect not only the OMS-2 structural features but also CO2 sorption performance. This paper targets K+, Na+, and Ba2+ cations. First-principles energetics and electronic structure calculations indicate that Ba2+ has the strongest interaction with the OMS-2 porous surface due to valence electrons donation to the OMS-2 and molecular orbital hybridization. However, the Ba-doped OMS-2 has the worst CO2 uptake capacity. We also found evidence of sorption hysteresis in the K- and Na-doped OMS-2 materials.

  11. Molecular Fountain

    Science.gov (United States)

    Cheng, Cunfeng; van der Poel, Aernout P. P.; Jansen, Paul; Quintero-Pérez, Marina; Wall, Thomas E.; Ubachs, Wim; Bethlem, Hendrick L.

    2016-12-01

    The resolution of any spectroscopic or interferometric experiment is ultimately limited by the total time a particle is interrogated. Here we demonstrate the first molecular fountain, a development which permits hitherto unattainably long interrogation times with molecules. In our experiments, ammonia molecules are decelerated and cooled using electric fields, launched upwards with a velocity between 1.4 and 1.9 m/s and observed as they fall back under gravity. A combination of quadrupole lenses and bunching elements is used to shape the beam such that it has a large position spread and a small velocity spread (corresponding to a transverse temperature of free fall, while being strongly focused at the detection region. The molecules are in free fall for up to 266 ms, making it possible, in principle, to perform sub-Hz measurements in molecular systems and paving the way for stringent tests of fundamental physics theories.

  12. Molecular cytogenetics.

    Science.gov (United States)

    Carpenter, N J

    2001-09-01

    In the past decade, clinical cytogenetics has undergone remarkable advancement as molecular biology techniques have been applied to conventional chromosome analysis. The limitations of conventional banding analysis in the accurate diagnosis and interpretation of certain chromosome abnormalities have largely been overcome by these new technologies, which include fluorescence in situ hybridization (FISH), comparative genomic hybridization (CGH), and multicolor FISH (M-FISH, SKY, and Rx-FISH). Clinical applications include diagnosis of microdeletion and microduplication syndromes, detection of subtelomeric rearrangements in idiopathic mental retardation, identification of marker and derivative chromosomes, prenatal diagnosis of trisomy syndromes, and gene rearrangements and gene amplification in tumors. Molecular cytogenetic methods have expanded the possibilities for precise genetic diagnoses, which are extremely important for clinical management of patients and appropriate counseling of their families.

  13. Molecular Modelling

    Directory of Open Access Journals (Sweden)

    Aarti Sharma

    2009-12-01

    Full Text Available

    The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important
    tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and
    the exponential growth of the knowledge of protein structures have made it possible for organic compounds to tailored to
    decrease harmful side effects and increase the potency. This article provides a detailed description of the techniques
    employed in molecular modeling. Molecular modelling is a rapidly developing discipline, and has been supported from
    the dramatic improvements in computer hardware and software in recent years.

  14. Molecular Rotors

    Science.gov (United States)

    2006-10-31

    Molecular Dipolar Rotors on Insulating Surfaces," Salamanca , Spain. Trends in Nanotechnology Conference. September 5-9, 2003 [86] Laura I. Clarke, Mary Beth...Horansky at the Trends in Nanotechnology Conference, Salamanca , Spain (September 5-9, 2003). [145] Michl, J. “Unusual Molecules: Artificial Surface...temperature and frequency for difluorophenylene rotor crystal. Figure JP6. Monte Carlo results for the local potential asymmetry at

  15. The effect of δ-doping and modulation-doping on Si-doped high Al content n-AlxGa1-xN grown by MOCVD

    Institute of Scientific and Technical Information of China (English)

    Zhu Shaoxin; Yan Jianchang; Zeng Jianping; Zhang Ning; Si Zhao; Dong Peng; Li Jinmin

    2013-01-01

    The effect of periodic delta-doping and modulation-doping on high Al content n-AlxGa1-xN (x =0.55) epilayers grown by MOCVD has been investigated.Measured by XRD,AFM,contactless sheet resistance,and Hall-effect tests,δ-doped and modulation-doped n-AlxGa1-xN have better crystal quality,surface morphology and electrical properties as compared with uniformly-doped n-AlxGa1-xN.These improvements are attributed to the SiNx growth mask induced by δ-doping layers and the dislocation-blocking effect induced by both growth techniques.In addition,due to the broadened doping profile ascribed to enhanced dopant diffusion at high growth temperatures (1150 ℃) of n-Al0.55Ga0.45N,modulation-doped n-Al0.55Ga0.45N has similar properties as δ-doped n-Al0.55Ga0.45N.

  16. Role of Zn doping in oxidative stress mediated cytotoxicity of TiO2 nanoparticles in human breast cancer MCF-7 cells

    Science.gov (United States)

    Ahamed, Maqusood; Khan, M. A. Majeed; Akhtar, Mohd Javed; Alhadlaq, Hisham A.; Alshamsan, Aws

    2016-07-01

    We investigated the effect of Zn-doping on structural and optical properties as well as cellular response of TiO2 nanoparticles (NPs) in human breast cancer MCF-7 cells. A library of Zn-doped (1–10 at wt%) TiO2 NPs was prepared. Characterization data indicated that dopant Zn was incorporated into the lattice of host TiO2. The average particle size of TiO2 NPs was decreases (38 to 28 nm) while the band gap energy was increases (3.35 eV–3.85 eV) with increasing the amount of Zn-doping. Cellular data demonstrated that Zn-doped TiO2 NPs induced cytotoxicity (cell viability reduction, membrane damage and cell cycle arrest) and oxidative stress (reactive oxygen species generation & glutathione depletion) in MCF-7 cells and toxic intensity was increases with increasing the concentration of Zn-doping. Molecular data revealed that Zn-doped TiO2 NPs induced the down-regulation of super oxide dismutase gene while the up-regulation of heme oxygenase-1 gene in MCF-7 cells. Cytotoxicity induced by Zn-doped TiO2 NPs was efficiently prevented by N-acetyl-cysteine suggesting that oxidative stress might be the primarily cause of toxicity. In conclusion, our data indicated that Zn-doping decreases the particle size and increases the band gap energy as well the oxidative stress-mediated toxicity of TiO2 NPs in MCF-7 cells.

  17. Molecular scale

    Directory of Open Access Journals (Sweden)

    Christopher H. Childers

    2016-03-01

    Full Text Available This manuscript demonstrates the molecular scale cure rate dependence of di-functional epoxide based thermoset polymers cured with amines. A series of cure heating ramp rates were used to determine the influence of ramp rate on the glass transition temperature (Tg and sub-Tg transitions and the average free volume hole size in these systems. The networks were comprised of 3,3′-diaminodiphenyl sulfone (33DDS and diglycidyl ether of bisphenol F (DGEBF and were cured at ramp rates ranging from 0.5 to 20 °C/min. Differential scanning calorimetry (DSC and NIR spectroscopy were used to explore the cure ramp rate dependence of the polymer network growth, whereas broadband dielectric spectroscopy (BDS and free volume hole size measurements were used to interrogate networks’ molecular level structural variations upon curing at variable heating ramp rates. It was found that although the Tg of the polymer matrices was similar, the NIR and DSC measurements revealed a strong correlation for how these networks grow in relation to the cure heating ramp rate. The free volume analysis and BDS results for the cured samples suggest differences in the molecular architecture of the matrix polymers due to cure heating rate dependence.

  18. Synthesis of nitrogen-doped single-walled carbon nanotubes and monitoring of doping by Raman spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Wu Mu-Hong; Li Xiao; Pan Ding; Liu Lei; Yang Xiao-Xia; Xu Zhi; Wang Wen-Long

    2013-01-01

    Nitrogen-doped single-walled carbon nanotubes (CNx-SWNTs) with tunable dopant concentrations were synthesized by chemical vapor deposition (CVD),and their structure and elemental composition were characterized by using transmission electron microscopy (TEM) in combination with electron energy loss spectroscopy (EELS).By comparing the Raman spectra of pristine and doped nanotubes,we observed the doping-induced Raman G band phonon stiffening and 2D band phonon softening,both of which reflect doping-induced renormalization of the electron and phonon energies in the nanotubes and behave as expected in accord with the n-type doping effect.On the basis of first principles calculations of the distribution of delocalized carrier density in both the pristine and doped nanotubes,we show how the n-type doping occurs when nitrogen heteroatoms are substitutionally incorporated into the honeycomb tube-shell carbon lattice.

  19. Harmonization of anti-doping rules in a global context (World Anti-Doping Agency-laboratory accreditation perspective).

    Science.gov (United States)

    Ivanova, Victoria; Miller, John H M; Rabin, Olivier; Squirrell, Alan; Westwood, Steven

    2012-07-01

    This article provides a review of the leading role of the World Anti-Doping Agency (WADA) in the context of the global fight against doping in sport and the harmonization of anti-doping rules worldwide through the implementation of the World Anti-Doping Program. Particular emphasis is given to the WADA-laboratory accreditation program, which is coordinated by the Science Department of WADA in conjunction with the Laboratory Expert Group, and the cooperation with the international accreditation community through International Laboratory Accreditation Cooperation and other organizations, all of which contribute to constant improvement of laboratory performance in the global fight against doping in sport. A perspective is provided of the means to refine the existing anti-doping rules and programs to ensure continuous improvement in order to face growing sophisticated challenges. A viewpoint on WADA's desire to embrace cooperation with other international organizations whose knowledge can contribute to the fight against doping in sport is acknowledged.

  20. The enhancement of ferromagnetism in Ta-doped anatase TiO2 system by iron co-doping

    Science.gov (United States)

    Muhammady, S.; Kurniawan, R.; Nurfani, E.; Sutjahja, I. M.; Winata, T.; Darma, Y.

    2016-11-01

    The ferromagnetic properties of Ta-doped and (Ta,Fe)-doped anatase TiO2 as diluted ferromagnetic materials has been studied within spin-polarized generalized gradient approximation (GGA) and GGA + U method. We observed a ferromagnetic properties in Ta- doped anatase TiO2, with a total magnetic moment of 1.00 μ B /supercell, which mainly arised due to Ti 3d and O 2p states upon Ef. Furthermore, the enhancement of ferromagnetism, mainly arising due to Fe 3d states, in (Ta,Fe)-doped anatase TiO2 was observed up to 5.00 μB /supercell, 5 times larger than that in Ta-doped TiO2. Our results confirmed the important role of Fe doping for the ferromagnetism enhancement in Ta-doped anatase TiO2.

  1. Elite Sport, Doping and Public Health

    DEFF Research Database (Denmark)

    The issue of doping in sport was once of interest only to aficionados of elite sports.  Nowadays, it is a matter of intense public scrutiny thatspans the worlds of health, medicine, sports, politics, technology, andbeyond.  In keeping with this territorial expansion, the aim of this book is toill......The issue of doping in sport was once of interest only to aficionados of elite sports.  Nowadays, it is a matter of intense public scrutiny thatspans the worlds of health, medicine, sports, politics, technology, andbeyond.  In keeping with this territorial expansion, the...... aim of this book is toillustrate how the issue of doping has evolved beyond the world of elite sport into an arena of public health.  In so doing, the book drawsupon multi-disciplinary perspectives from applied and professionalethics, biomedical science, history, philosophy, policy studies, andsociology.  The essays, written by a...... group of leading international experts, is theproduct of a colloquium of the International Network of HumanisticDoping Research held at Aarhus University in Denmark.  Their scoperanges from conceptual analysis, case studies to policy critique.  Eachof these disciplinary perspectives, it is argued, is necessary to understand the problem of doping “in...

  2. A p → n transition for Sn-doped Cu(In,Ga)Se{sub 2} bulk materials

    Energy Technology Data Exchange (ETDEWEB)

    Monsefi, Mehrdad; Kuo, Dong-Hau, E-mail: dhkuo@mail.ntust.edu.tw

    2013-08-15

    Cu(In,Ga)Se{sub 2} (CIGSe) pellets at different Sn contents were fabricated by reactive liquid-phase sintering at 600–700 °C with the help of sintering aids of Sb{sub 2}S{sub 3} and Te. Powder preparation was based upon the molecular formula of Cu{sub 0.9}[(In{sub 0.7−x}Sn{sub x}Ga{sub 0.3}){sub 0.9}Sb{sub 0.1}](S{sub 0.15}Te{sub 0.2}Se{sub 1.65}) or Sn-x-CIGSe. Morphology, structure, and electrical property of Sn-doped CIGSe bulks were investigated. The composition of Sn-doped CIGSe is purposely designed for studying the doping effect on the CIGSe performance. The unexpected increase in hole concentration of CIGSe due to the donor doping is rationalized. A controllable n-type semiconductor is deliberately achieved for Sn-0.15-CIGSe and important for making a p/n homojunction in CIGSe solar cells. - Graphical abstract: The controls in defect type and electrical properties of Cu(In,Ga)Se{sub 2} by doping Sn{sup 4+} on the In{sup 3+} site. Highlights: • n-type Sn-CIGSe with n{sub e} of 6.4×10{sup 16} cm{sup −3} and μ{sub e} of 2.3 cm{sup 2}/V s was obtained. • This n-type Sn-CIGSe was obtained by material design and composition control. • The reported n-type CIGSe was obtained from the Zn/CIGSe and CdS/CIGSe bilayers. • Extrinsic donor doping was explored through the results of electrical properties. • A n/p homojunction with Sn-CIGSe and undoped one can be used for solar cell devices.

  3. STUDY ON 1-HEXENE POLYMERIZATION BASED ON ZIEGLER-NATTA CATALYSTS WITH DOPED SUPPORT

    Institute of Scientific and Technical Information of China (English)

    Xue Jiang; Zhi-qiang Fan

    2004-01-01

    A series of Ti/Mg supported catalysts are prepared by using ball-milled mixtures of MgCl2-ethanol adducts and NaCl as supports, and 1-hexene polymerizations catalyzed by the novel catalysts are studied. It is found that the molecular weight distribution of poly(1-hexene) becomes apparently narrower when catalysts with doped supports are used, indicating that changing the structure of the support is an effective way to regulate the active center distribution of heterogeneous Ziegler-Natta catalyst.

  4. Holographic Grating Formation in Photochromic Diarylethene-Doped Polymeric Thin Films

    Institute of Scientific and Technical Information of China (English)

    LUO Shou-Jun; LIU Guo-Dong; HE Qing-Sheng; JIN Guo-Fan

    2005-01-01

    We introduce a modeJ to describe real-time grating formation in holographic photochromic diarylethene-dopedpolymeric thin films. This model, which combines photochromic chemical reaction with the coupled-wave theory, indicates that the grating recording time depends on the molecular absorption coefficient of molecules and the quantum yield of the photochromic reaction at a certain holographic recording intensity. The model is validated by comparing its predictions with the experimental results in which photochromic molecule 1,2-bis(2-methyl-5-(4-formylphenyl)-3-thienyl) perfluorocyclopentene doped PMMA films were used.

  5. Andreev reflections at interfaces between delta-doped GaAs and superconducting Al films

    DEFF Research Database (Denmark)

    Taboryski, Rafael Jozef; Clausen, Thomas; Hansen, Jørn Bindslev;

    1996-01-01

    By placing several Si delta-doped layers close to the surface of a GaAs molecular beam epitaxy-grown crystal, we achieve a compensation of the Schottky barrier and obtain a good Ohmic contact between an in situ deposited (without breaking the vacuum) Al metallization layer and a highly modulation...... in a planar geometry where the Al has been removed in a thin stripe. We find a manifestation of the superconducting energy gap and a rich fine structure at injection energies both below and above the gap. (C) 1996 American Institute of Physics....

  6. Preparation and luminescence properties of organogel doped with Eu(TTA)3phen complex

    Science.gov (United States)

    Cocca, M.; Di Lorenzo, M. L.; Avella, M.; Gentile, G.; Aubouy, L.; Della Pirreira, M.; Gutiérrez-Tauste, D.; Kennedy, M.; Doran, J.; Norton, B.

    2012-07-01

    In this contribution we report the preparation and the luminescence property of Eu(TTA)3phen complex doped toluene gels. Gels were prepared by using either a low molecular weight gelator, 12-hydroxystearic acid (HSA), or a macromolecular gelator, syndiotactic polymethylmethacrylate (s-PMMA). The gelation properties and their reversible behavior from solid-like to liquid systems have been investigated. In addition, photophysical investigations, as well as morphology, thermal properties and ageing behavior of the gels were analyzed as a function of composition of the gels.

  7. High-temperature behavior of supported graphene: Electron-phonon coupling and substrate-induced doping

    DEFF Research Database (Denmark)

    Ulstrup, Søren; Bianchi, Marco; Guan, Dandan

    2012-01-01

    The temperature-dependent electronic structure and electron-phonon coupling of weakly doped supported graphene is studied by angle-resolved photoemission spectroscopy and ab initio molecular dynamics simulations. The electron-phonon coupling is found to be extremely weak, reaching the lowest value...... ever reported for any material. However, the temperature-dependent dynamic interaction with the substrate leads to a complex and dramatic change in the carrier density and type in graphene. These changes in the electronic structure are mainly caused by fluctuations in the graphene-substrate distance....

  8. Ferromagnetism in vanadium-doped Bi2Se3 topological insulator films

    Science.gov (United States)

    Zhang, Liguo; Zhao, Dapeng; Zang, Yunyi; Yuan, Yonghao; Jiang, Gaoyuan; Liao, Menghan; Zhang, Ding; He, Ke; Ma, Xucun; Xue, Qikun

    2017-07-01

    With molecular beam epitaxy, we grew uniformly vanadium-doped Bi2Se3 films which exhibit ferromagnetism with perpendicular magnetic anisotropy. A systematic study on the magneto-transport properties of the films revealed the crucial role of topological surface states in ferromagnetic coupling. The enhanced ferromagnetism with reduced carrier density can support quantum anomalous Hall phase in the films, though the anomalous Hall resistance is far from quantization due to high carrier density. The topological surface states of films exhibit a gap of ˜180 meV which is unlikely to be magnetically induced but may significantly influence the quantum anomalous Hall effect in the system.

  9. High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Nguyen Thanh [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics, Ho Chi Minh City University of Pedagogy, 280, An Duong Vuong Street, District 5, Ho Chi Minh City 748242 (Viet Nam); Hai, Pham Nam [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro, Tokyo 152-0033 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Anh, Le Duc [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Tanaka, Masaaki [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2016-05-09

    We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga{sub 1−x},Fe{sub x})Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

  10. Observation of Photovoltaic Effects in Bright Red Organic Electroluminescent Diodes Doped with Red Dopant

    Institute of Scientific and Technical Information of China (English)

    WEI Han-Zhi; Li Wen-Lian; WANG Dong-Yue; CHU Bei; Li Ming-Tao; ZHANG Zhi-Qiang; HU Zhi-Zhi

    2004-01-01

    @@ Photovoltaic (PV) effects for red bright organic light-emitting diodes (OLEDs) in which the red light emitted from the dopant 4-(dicyanomethylene)-2-t-butyl-6- (1,1,7, 7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) have been observed. The OLEDs show organic photovoltaic properties. At the optimum doping concentration, the main eletroluminescence parameters including the maximum brightness and the maximum luminous efficiency under current density of 20mA/cm2 are 3280cd/m2 and 1.54cd/A, respectively. When irradiated by a 365-nm UVlight (4 mW/cm2), the device exhibits the PV parameters of the open-circuit voltage 1.4 V, short-circuit current 2.9 μA/cm2, fill factor 0.22, and power conversion efficiency 0.022%. Effects of every organic layer, especially the doped DCJTB on the PV performance, are also discussed. It is expected that the research for the PV property of the small molecular doping OLEDs will be of benefit for flat panel display technology in the future.

  11. Thermal stability and dielectric properties of nano-SiO2-doped cellulose

    Science.gov (United States)

    Zhang, Song; Tang, Chao; Hao, Jian; Wang, Xiaobo

    2017-07-01

    We report the thermal stability and dielectric properties of nano-SiO2-doped cellulose. Molecular dynamics simulations were performed using an undoped cellulose model (C0), a nano-SiO2-doped cellulose model with untreated surface unsaturated bonds (C1), and a nano-SiO2-doped cellulose model for which surface unsaturated O atoms were treated with -H and surface unsaturated Si atoms were treated with -OH (C2). The simulation results showed that the mechanical properties of C1 and C2 were better than those of C0 and were optimal when the content of nano-SiO2 was 5%. The simulation results for C2 were more accurate than those for the other models, and thus, C2 provides theoretical support for the construction of a reasonable model of nano-SiO2 and cellulose in the future. The temperature at which the free volume fraction of C2 jumps was 50 K higher than that for C0, and the thermal stability of C2 was better than that of C0. Experimental results showed that the maximum tensile strength of the insulation paper was obtained when the content of nano-SiO2 was 5%. Moreover, at this content of nano-SiO2, the dielectric constant was lowest and closest to that of transformer insulation oil, which will improve the distribution of the electric field and thus the overall breakdown performance of oil-paper insulation systems.

  12. Tapered Optical Fiber Humidity Sensor Coated with Nano-crystalline ZnO Doped with KCI

    Directory of Open Access Journals (Sweden)

    Sivacoumar Rajalingam

    2015-03-01

    Full Text Available In this research study we have targeted to fabricate a tapered optical fiber coated with zinc oxide doped with KCl to improve the humidity sensing capability of zinc oxide. The optical fiber was tapered through chemical etching method by HF acid (49.5%. The nano-crystalline Zinc Oxide (ZnO was synthesized using single molecular precursor method doped with KCl. The resulting material was characterized with Fourier Transform Infrared spectroscopy (FTIR, X-Ray Diffractometry (XRD and Scanning Electron Microscopy (SEM. The sensing mechanism of this sensor is based on the change of the optical properties of the coating when the relative humidity increases. The humidity sensing characteristic has been estimated by measuring the Optical Permeability (OP as a function of percentage of Relative Humidity (%RH in the ranging from 5 to 98% inside a closed chamber. The tapered optical fiber tested with an overlay coating at the optimal working point achieves better sensitivity. The experimental results show that the 5.7 wt% KCl doped ZnO nano-fibers hold super-rapid response and recovery than normal ZnO coating.

  13. Ceria doped mixed metal oxide nanoparticles as oxidation catalysts: Synthesis and their characterization

    Directory of Open Access Journals (Sweden)

    S.S.P. Sultana

    2015-11-01

    Full Text Available Mixed metal nanoparticles (NPs have attracted significant attention as catalysts for various organic transformations. In this study, we have demonstrated the preparation of nickel–manganese mixed metal oxide NPs doped with X% nano cerium oxide (X = 1, 3, 5 mol% by a facile co-precipitation technique using surfactant and surfactant free methodologies. The as-synthesized materials were calcined at different temperatures (300 °C, 400 °C, and 500 °C, and were characterized using various spectroscopic techniques, including, FTIR and XRD. SEM analysis, TEM analysis and TGA were employed to evaluate the structural properties of the as-prepared catalyst. These were evaluated for their catalytic behaviour towards the conversion of benzyl alcohol to benzaldehyde, which was used as a model reaction with molecular oxygen as oxidant. Furthermore, the effect of the variation of the percentage of nano ceria doping and the calcination temperature on the performance of as-prepared mixed metal catalysts was also evaluated. The kinetic studies of the reactions performed employing gas chromatographic technique have revealed that the mixed metal oxide catalyst doped with 5% nano ceria displayed excellent catalytc activity, among various catalysts synthesized.

  14. Influence of doped nitrogen and vacancy defects on the thermal conductivity of graphene nanoribbons.

    Science.gov (United States)

    Yang, Haiying; Tang, Yunqing; Gong, Jie; Liu, Yu; Wang, Xiaoliang; Zhao, Yanfang; Yang, Ping; Wang, Shuting

    2013-11-01

    A systematic investigation of the thermal conductivity of zigzag graphene nanoribbons (ZGNRs) doped with nitrogen and containing a vacancy defect was performed using reverse nonequilibrium molecular dynamics (RNEMD). The investigation showed that the thermal conductivity of the ZGNRs was significantly reduced by nitrogen doping. The thermal conductivity dropped rapidly when the nitrogen doping concentration was low. Also, the presence of a vacancy defect was found to significantly decrease the thermal conductivity. Initially, as the vacancy moved from the heat sink to the heat source, the phonon frequency and the phonon energy increased, and the thermal conductivity decreased. When the distance between the vacancy in the ZGNR and the edge of the heat sink reached 2.214 nm, tunneling began to occur, allowing high-frequency phonons to pass through the vacancies and transfer some energy. The curve of the thermal conductivity of the ZGNRs versus the vacancy position was found to be pan-shaped, with the thermal conductivity of the ZGNRs controlled by the phonon. These findings could be useful when attempting to control heat transfer on the nanoscale using GNR-based thermal devices.

  15. Oxygen- and Lithium-Doped Hybrid Boron-Nitride/Carbon Networks for Hydrogen Storage.

    Science.gov (United States)

    Shayeganfar, Farzaneh; Shahsavari, Rouzbeh

    2016-12-20

    Hydrogen storage capacities have been studied on newly designed three-dimensional pillared boron nitride (PBN) and pillared graphene boron nitride (PGBN). We propose these novel materials based on the covalent connection of BNNTs and graphene sheets, which enhance the surface and free volume for storage within the nanomaterial and increase the gravimetric and volumetric hydrogen uptake capacities. Density functional theory and molecular dynamics simulations show that these lithium- and oxygen-doped pillared structures have improved gravimetric and volumetric hydrogen capacities at room temperature, with values on the order of 9.1-11.6 wt % and 40-60 g/L. Our findings demonstrate that the gravimetric uptake of oxygen- and lithium-doped PBN and PGBN has significantly enhanced the hydrogen sorption and desorption. Calculations for O-doped PGBN yield gravimetric hydrogen uptake capacities greater than 11.6 wt % at room temperature. This increased value is attributed to the pillared morphology, which improves the mechanical properties and increases porosity, as well as the high binding energy between oxygen and GBN. Our results suggest that hybrid carbon/BNNT nanostructures are an excellent candidate for hydrogen storage, owing to the combination of the electron mobility of graphene and the polarized nature of BN at heterojunctions, which enhances the uptake capacity, providing ample opportunities to further tune this hybrid material for efficient hydrogen storage.

  16. Effect of metal doping on structural characteristics of amorphous carbon system: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiaowei; Zhang, Dong [Key Laboratory of Marine Materials and Related Technologies, Key Laboratory of Marine Materials and Protective Technologies of Zhejiang Province, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Lee, Kwang-Ryeol, E-mail: krlee@kist.re.kr [Computational Science Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Wang, Aiying, E-mail: aywang@nimte.ac.cn [Key Laboratory of Marine Materials and Related Technologies, Key Laboratory of Marine Materials and Protective Technologies of Zhejiang Province, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China)

    2016-05-31

    First-principles calculation was performed to investigate the effect of metal doping on the structural characteristics of amorphous carbon system, and the 3d transition metals (TM) were particularly selected as representative case. Results showed that the total energy in TM–C systems caused by distorting the bond angles was reduced distinctly for comparison with that in C–C system. Further electronic structure revealed that as the 3d electrons of doped TM increased, the bond characteristic of highest occupied molecular orbital changed from bonding (Sc, Ti) to nonbonding (V, Cr, Mn, Fe) and finally to antibonding (Co, Ni, Cu) between the TM and C atoms. Meanwhile, the TM–C bond presented a mixture of the covalent and ionic characters. The decrease of strength and directionality of TM–C bonds resulted in the total energy change upon bond angle distortion, which demonstrated that the bond characteristics played an important role in reducing residual stress of TM-doped amorphous carbon systems. - Highlights: • The bond characteristics as 3d electrons changed from bonding, nonbonding to antibonding. • The TM–C bond was a mixture of covalent and ionic characters. • Reduced strength and directionality of TM–C bond led to small distortion energy change. • The weak TM–C bond accounted for the reduced compressive stress caused by TM.

  17. Chemical Surface, Thermal and Electrical Characterization of Nafion Membranes Doped with IL-Cations

    Directory of Open Access Journals (Sweden)

    María del Valle Martínez de Yuso

    2014-04-01

    Full Text Available Surface and bulk changes in a Nafion membrane as a result of IL-cation doping (1-butyl-3-methylimidazolium tetrafluoroborate or BMIM+BF4 and phenyltrimethylammonium chloride or TMPA+Cl− were studied by X-ray photoelectron spectroscopy (XPS, contact angle, differential scanning calorimetry (DSC and impedance spectroscopy (IS measurements performed with dry samples after 24 h in contact with the IL-cations BMIM+ and TMPA+. IL-cations were selected due to their similar molecular weight and molar volume but different shape, which could facilitate/obstruct the cation incorporation in the Nafion membrane structure by proton/cation exchange mechanism. The surface coverage of the Nafion membrane by the IL-cations was confirmed by XPS analysis and contact angle, while the results obtained by the other two techniques (DSC and IS seem to indicate differences in thermal and electrical behaviour depending on the doping-cation, being less resistive the Nafion/BMIM+ membrane. For that reason, determination of the ion transport number was obtained for this membrane by measuring the membrane or concentration potential with the samples in contact with HCl solutions at different concentrations. The comparison of these results with those obtained for the original Nafion membrane provides information on the effect of IL-cation BMIM+ on the transport of H+ across wet Nafion/BMIM+ doped membranes.

  18. Nonlinear optical studies on 1,3-disubstituent chalcones doped polymer films

    Science.gov (United States)

    Poornesh, P.; Shettigar, Seetharam; Umesh, G.; Manjunatha, K. B.; Prakash Kamath, K.; Sarojini, B. K.; Narayana, B.

    2009-04-01

    We report the measurements of the third-order nonlinear optical properties of recently synthesized and characterized two different 1,3-disubstituent chalcones doped PMMA films, with the prospective of reaching a good compromise between processability and high nonlinear optical properties. The measurements were done using nanosecond Z-scan at 532 nm. The Z-scan spectra reveal a large negative nonlinear refraction coefficient n2 of the order 10 -11 esu and the molecular two photon absorption cross section is 10 -46 cm 4 s/photon. The doped films exhibit good optical power limiting property under nanosecond regime and the two photon absorption (TPA) is the dominating process leading to the nonlinear behavior. The improvement in the nonlinear properties has been observed when methylenedioxy group is replaced by dimethoxy group due to increase in conjugation length. The observed nonlinear parameters of chalcone derivatives doped PMMA film is comparable with stilbazolieum derivatives, a well-known class of optical materials for photonics and biophotonics applications, which suggests that, these moieties have potential for the application of all-optical limiting and switching devices.

  19. Thermal diffusion boron doping of single-crystal natural diamond

    Science.gov (United States)

    Seo, Jung-Hun; Wu, Henry; Mikael, Solomon; Mi, Hongyi; Blanchard, James P.; Venkataramanan, Giri; Zhou, Weidong; Gong, Shaoqin; Morgan, Dane; Ma, Zhenqiang

    2016-05-01

    With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

  20. Review on dielectric properties of rare earth doped barium titanate

    Science.gov (United States)

    Ismail, Fatin Adila; Osman, Rozana Aina Maulat; Idris, Mohd Sobri

    2016-07-01

    Rare earth doped Barium Titanate (BaTiO3) were studied due to high permittivity, excellent electrical properties and have wide usage in various applications. This paper reviewed on the electrical properties of RE doped BaTiO3 (RE: Lanthanum (La), Erbium (Er), Samarium (Sm), Neodymium (Nd), Cerium (Ce)), processing method, phase transition occurred and solid solution range for complete study. Most of the RE doped BaTiO3 downshifted the Curie temperature (TC). Transition temperature also known as Curie temperature, TC where the ceramics had a transition from ferroelectric to a paraelectric phase. In this review, the dielectric constant of La-doped BaTiO3, Er-doped BaTiO3, Sm-doped BaTiO3, Nd-doped BaTiO3 and Ce-doped BaTiO3 had been proved to increase and the transition temperature or also known as TC also lowered down to room temperature as for all the RE doped BaTiO3 except for Er-doped BaTiO3.