WorldWideScience

Sample records for total organic halides

  1. Students' Understanding of Alkyl Halide Reactions in Undergraduate Organic Chemistry

    Science.gov (United States)

    Cruz-Ramirez de Arellano, Daniel

    2013-01-01

    Organic chemistry is an essential subject for many undergraduate students completing degrees in science, engineering, and pre-professional programs. However, students often struggle with the concepts and skills required to successfully solve organic chemistry exercises. Since alkyl halides are traditionally the first functional group that is…

  2. Transfer Hydro-dehalogenation of Organic Halides Catalyzed by Ruthenium(II) Complex.

    Science.gov (United States)

    You, Tingjie; Wang, Zhenrong; Chen, Jiajia; Xia, Yuanzhi

    2017-02-03

    A simple and efficient Ru(II)-catalyzed transfer hydro-dehalogenation of organic halides using 2-propanol solvent as the hydride source was reported. This methodology is applicable for hydro-dehalogenation of a variety of aromatic halides and α-haloesters and amides without additional ligand, and quantitative yields were achieved in many cases. The potential synthetic application of this method was demonstrated by efficient gram-scale transformation with catalyst loading as low as 0.5 mol %.

  3. Students' Understanding of Alkyl Halide Reactions in Undergraduate Organic Chemistry

    Science.gov (United States)

    Cruz-Ramírez de Arellano, Daniel; Towns, Marcy H.

    2014-01-01

    Organic chemistry is an essential subject for many undergraduate students completing degrees in science, engineering, and pre-professional programs. However, students often struggle with the concepts and skills required to successfully solve organic chemistry exercises. Since alkyl halides are traditionally the first functional group that is…

  4. Purcell effect in an organic-inorganic halide perovskite semiconductor microcavity system

    International Nuclear Information System (INIS)

    Wang, Jun; Wang, Yafeng; Hu, Tao; Wu, Lin; Shen, Xuechu; Chen, Zhanghai; Cao, Runan; Xu, Fei; Da, Peimei; Zheng, Gengfeng; Lu, Jian

    2016-01-01

    Organic-inorganic halide perovskite semiconductors with the attractive physics properties, including strong photoluminescence (PL), huge oscillator strengths, and low nonradiative recombination losses, are ideal candidates for studying the light-matter interaction in nanostructures. Here, we demonstrate the coupling of the exciton state and the cavity mode in the lead halide perovskite microcavity system at room temperature. The Purcell effect in the coupling system is clearly observed by using angle-resolved photoluminescence spectra. Kinetic analysis based on time-resolved PL reveals that the spontaneous emission rate of the halide perovskite semiconductor is significantly enhanced at resonance of the exciton energy and the cavity mode. Our results provide the way for developing electrically driven organic polariton lasers, optical devices, and on-chip coherent quantum light sources

  5. Advancement on Lead-Free Organic-Inorganic Halide Perovskite Solar Cells: A Review.

    Science.gov (United States)

    Sani, Faruk; Shafie, Suhaidi; Lim, Hong Ngee; Musa, Abubakar Ohinoyi

    2018-06-14

    Remarkable attention has been committed to the recently discovered cost effective and solution processable lead-free organic-inorganic halide perovskite solar cells. Recent studies have reported that, within five years, the reported efficiency has reached 9.0%, which makes them an extremely promising and fast developing candidate to compete with conventional lead-based perovskite solar cells. The major challenge associated with the conventional perovskite solar cells is the toxic nature of lead (Pb) used in the active layer of perovskite material. If lead continues to be used in fabricating solar cells, negative health impacts will result in the environment due to the toxicity of lead. Alternatively, lead free perovskite solar cells could give a safe way by substituting low-cost, abundant and non toxic material. This review focuses on formability of lead-free organic-inorganic halide perovskite, alternative metal cations candidates to replace lead (Pb), and possible substitutions of organic cations, as well as halide anions in the lead-free organic-inorganic halide perovskite architecture. Furthermore, the review gives highlights on the impact of organic cations, metal cations and inorganic anions on stability and the overall performance of lead free perovskite solar cells.

  6. Environmental Effects on the Photophysics of Organic-Inorganic Halide Perovskites.

    Science.gov (United States)

    Galisteo-López, Juan F; Anaya, M; Calvo, M E; Míguez, H

    2015-06-18

    The photophysical properties of films of organic-inorganic lead halide perovskites under different ambient conditions are herein reported. We demonstrate that their luminescent properties are determined by the interplay between photoinduced activation and darkening processes, which strongly depend on the atmosphere surrounding the samples. We have isolated oxygen and moisture as the key elements in each process, activation and darkening, both of which involve the interaction with photogenerated carriers. These findings show that environmental factors play a key role in the performance of lead halide perovskites as efficient luminescent materials.

  7. Building up an electrocatalytic activity scale of cathode materials for organic halide reductions

    International Nuclear Information System (INIS)

    Bellomunno, C.; Bonanomi, D.; Falciola, L.; Longhi, M.; Mussini, P.R.; Doubova, L.M.; Di Silvestro, G.

    2005-01-01

    A wide investigation on the electrochemical activity of four model organic bromides has been carried out in acetonitrile on nine cathodes of widely different affinity for halide anions (Pt, Zn, Hg, Sn, Bi, Pb, Au, Cu, Ag), and the electrocatalytic activities of the latter have been evaluated with respect to three possible inert reference cathode materials, i.e. glassy carbon, boron-doped diamond, and fluorinated boron-doped diamond. A general electrocatalytic activity scale for the process is proposed, with a discussion on its modulation by the configuration of the reacting molecule, and its connection with thermodynamic parameters accounting for halide adsorption

  8. Electrochemically reduced titanocene dichloride as a catalyst of reductive dehalogenation of organic halides

    International Nuclear Information System (INIS)

    Magdesieva, Tatiana V.; Graczyk, Magdalena; Vallat, Alain; Nikitin, Oleg M.; Demyanov, Petr I.; Butin, Kim P.; Vorotyntsev, Mikhail A.

    2006-01-01

    We have studied a reaction between the reduced form of titanocene dichloride (Cp 2 TiCl 2 ) and a group of organic halides: benzyl derivatives (4-X-C 6 H 4 CH 2 Cl, X = H, NO 2 , CH 3 ; 4-X-C 6 H 4 CH 2 Br, X = H, NO 2 , PhC(O); 4-X-C 6 H 4 CH 2 SCN, X = H, NO 2 ) as well as three aryl halides (4-NO 2 C 6 H 4 Hal, Hal = Cl, Br; 4-CH 3 O-C 6 H 4 Cl). It has been shown that the electrochemical reduction of Cp 2 TiCl 2 in the presence of these benzyl halides leads to a catalytic cycle resulting in the reductive dehalogenation of these organic substrates to yield mostly corresponding toluene derivatives as the main product. No dehalogenation has been observed for aryl derivatives. Based on electrochemical data and digital simulation, possible schemes of the catalytic process have been outlined. For non-substituted benzyl halides halogen atom abstraction is a key step. For the reaction of nitrobenzyl halides the complexation of Ti(III) species with the nitro group takes place, with the electron transfer from Ti(III) to this group (owing to its highest coefficient in LUMO of the nitro benzyl halide) followed by an intramolecular dissociative electron redistribution in the course of the heterolytic C-Hal bond cleavage. The results for reduced titanocene dichloride centers immobilized inside a polymer film showed that the catalytic reductive dehalogenation of the p-nitrobenzyl chloride does occur but with a low efficiency because of the partial deactivation of the film due to the blocking of the electron charge transport between the electrode and catalytic centers

  9. Direct ToF-SIMS analysis of organic halides and amines on TLC plates

    Energy Technology Data Exchange (ETDEWEB)

    Parent, Alexander A. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Anderson, Thomas M. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Michaelis, David J. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Jiang, Guilin [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Savage, Paul B. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Linford, Matthew R. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States)]. E-mail: mrlinford@chem.byu.edu

    2006-07-30

    It has been reported that: 'direct analysis of thin layer chromatography (TLC) plates with secondary ion mass spectrometry (SIMS) yields no satisfactory results' (J. Chromatogr. A 1084 (2005) 113-118). While this statement appears to be true in general, we have identified two important classes of compounds, organic halides and amines, that appear to yield to such direct analyses. For example, five organic halides with diverse structures were eluted on normal phase TLC plates. In all cases the halide signals in the negative ion time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectra were notably stronger than the background signals. Similarly, a series of five organic amines with diverse structures were directly analyzed by positive ion ToF-SIMS. In all but one of the spectra characteristic, and sometimes even quasi-molecular ions, were observed. Most likely, the good halide ion yields are largely a function of the electronegativity of the halogens. We also propose that direct analysis of amines on normal phase silica gel is facilitated by the acidity, i.e., proton donation, of surface silanol groups.

  10. Direct ToF-SIMS analysis of organic halides and amines on TLC plates

    International Nuclear Information System (INIS)

    Parent, Alexander A.; Anderson, Thomas M.; Michaelis, David J.; Jiang, Guilin; Savage, Paul B.; Linford, Matthew R.

    2006-01-01

    It has been reported that: 'direct analysis of thin layer chromatography (TLC) plates with secondary ion mass spectrometry (SIMS) yields no satisfactory results' (J. Chromatogr. A 1084 (2005) 113-118). While this statement appears to be true in general, we have identified two important classes of compounds, organic halides and amines, that appear to yield to such direct analyses. For example, five organic halides with diverse structures were eluted on normal phase TLC plates. In all cases the halide signals in the negative ion time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectra were notably stronger than the background signals. Similarly, a series of five organic amines with diverse structures were directly analyzed by positive ion ToF-SIMS. In all but one of the spectra characteristic, and sometimes even quasi-molecular ions, were observed. Most likely, the good halide ion yields are largely a function of the electronegativity of the halogens. We also propose that direct analysis of amines on normal phase silica gel is facilitated by the acidity, i.e., proton donation, of surface silanol groups

  11. Effect of halide-mixing on the switching behaviors of organic-inorganic hybrid perovskite memory

    Science.gov (United States)

    Hwang, Bohee; Gu, Chungwan; Lee, Donghwa; Lee, Jang-Sik

    2017-03-01

    Mixed halide perovskite materials are actively researched for solar cells with high efficiency. Their hysteresis which originates from the movement of defects make perovskite a candidate for resistive switching memory devices. We demonstrate the resistive switching device based on mixed-halide organic-inorganic hybrid perovskite CH3NH3PbI3-xBrx (x = 0, 1, 2, 3). Solvent engineering is used to deposit the homogeneous CH3NH3PbI3-xBrx layer on the indium-tin oxide-coated glass substrates. The memory device based on CH3NH3PbI3-xBrx exhibits write endurance and long retention, which indicate reproducible and reliable memory properties. According to the increase in Br contents in CH3NH3PbI3-xBrx the set electric field required to make the device from low resistance state to high resistance state decreases. This result is in accord with the theoretical calculation of migration barriers, that is the barrier to ionic migration in perovskites is found to be lower for Br- (0.23 eV) than for I- (0.29-0.30 eV). The resistive switching may be the result of halide vacancy defects and formation of conductive filaments under electric field in the mixed perovskite layer. It is observed that enhancement in operating voltage can be achieved by controlling the halide contents in the film.

  12. Electrochemically reduced titanocene dichloride as a catalyst of reductive dehalogenation of organic halides

    Energy Technology Data Exchange (ETDEWEB)

    Magdesieva, Tatiana V. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation)]. E-mail: tvm@org.chem.msu.ru; Graczyk, Magdalena [LSEO-UMR 5188 CNRS, Universite de Bourgogne, Dijon (France); Vallat, Alain [LSEO-UMR 5188 CNRS, Universite de Bourgogne, Dijon (France); Nikitin, Oleg M. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Demyanov, Petr I. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Butin, Kim P. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Vorotyntsev, Mikhail A. [LSEO-UMR 5188 CNRS, Universite de Bourgogne, Dijon (France)]. E-mail: MV@u-bourgogne.fr

    2006-11-12

    We have studied a reaction between the reduced form of titanocene dichloride (Cp{sub 2}TiCl{sub 2}) and a group of organic halides: benzyl derivatives (4-X-C{sub 6}H{sub 4}CH{sub 2}Cl, X = H, NO{sub 2}, CH{sub 3}; 4-X-C{sub 6}H{sub 4}CH{sub 2}Br, X = H, NO{sub 2}, PhC(O); 4-X-C{sub 6}H{sub 4}CH{sub 2}SCN, X = H, NO{sub 2}) as well as three aryl halides (4-NO{sub 2}C{sub 6}H{sub 4}Hal, Hal = Cl, Br; 4-CH{sub 3}O-C{sub 6}H{sub 4}Cl). It has been shown that the electrochemical reduction of Cp{sub 2}TiCl{sub 2} in the presence of these benzyl halides leads to a catalytic cycle resulting in the reductive dehalogenation of these organic substrates to yield mostly corresponding toluene derivatives as the main product. No dehalogenation has been observed for aryl derivatives. Based on electrochemical data and digital simulation, possible schemes of the catalytic process have been outlined. For non-substituted benzyl halides halogen atom abstraction is a key step. For the reaction of nitrobenzyl halides the complexation of Ti(III) species with the nitro group takes place, with the electron transfer from Ti(III) to this group (owing to its highest coefficient in LUMO of the nitro benzyl halide) followed by an intramolecular dissociative electron redistribution in the course of the heterolytic C-Hal bond cleavage. The results for reduced titanocene dichloride centers immobilized inside a polymer film showed that the catalytic reductive dehalogenation of the p-nitrobenzyl chloride does occur but with a low efficiency because of the partial deactivation of the film due to the blocking of the electron charge transport between the electrode and catalytic centers.

  13. Conducting Layered Organic-inorganic Halides Containing -Oriented Perovskite Sheets.

    Science.gov (United States)

    Mitzi, D B; Wang, S; Feild, C A; Chess, C A; Guloy, A M

    1995-03-10

    Single crystals of the layered organic-inorganic perovskites, [NH(2)C(I=NH(2)](2)(CH(3)NH(3))m SnmI3m+2, were prepared by an aqueous solution growth technique. In contrast to the recently discovered family, (C(4)H(9)NH(3))(2)(CH(3)NH(3))n-1SnnI3n+1, which consists of (100)-terminated perovskite layers, structure determination reveals an unusual structural class with sets of m -oriented CH(3)NH(3)SnI(3) perovskite sheets separated by iodoformamidinium cations. Whereas the m = 2 compound is semiconducting with a band gap of 0.33 +/- 0.05 electron volt, increasing m leads to more metallic character. The ability to control perovskite sheet orientation through the choice of organic cation demonstrates the flexibility provided by organic-inorganic perovskites and adds an important handle for tailoring and understanding lower dimensional transport in layered perovskites.

  14. Fast reactions of organic anion radicals with organic halides in hexamethylphosphoric triamide studied by pulse radiolysis

    International Nuclear Information System (INIS)

    Honda, Eiji; Tokuda, Masao; Yoshida, Hiroshi; Ogasawara, Masaaki

    1987-01-01

    Fast reactions of diethyl fumarate anion radical (DEF - ) and fluorenone anion radical (Fl - ) with various organic halides (RX) in hexamethylphosphoric triamide have been studied by means of ns pulse radiolysis at room temperature. Reactions of acetophenone anion radical were also studied for comparison. It was found that the reaction rate of Fl - was subject to the steric and resonance effects of R groups of RX in accord with the classical concept of S N 2 reactions: the rate constant was reduced by 2 orders of magnitude by the steric effect when R was changed from ethyl to bulky isopropyl or t-butyl, and it was still large by the resonance effect of R even if R was changed from ethyl to an allyl or a benzyl group. While the reaction rate of DEF - was not much affected when R was changed to more bulky groups, the rate constant was correlated to the reduction potential of RX. The results were interpreted in terms of a VB correlation diagram approach or rate-equilibrium relationship within a framework of S N 2 reactions. (author)

  15. Research progress on organic-inorganic halide perovskite materials and solar cells

    Science.gov (United States)

    Ono, Luis K.; Qi, Yabing

    2018-03-01

    Owing to the intensive research efforts across the world since 2009, perovskite solar cell power conversion efficiencies (PCEs) are now comparable or even better than several other photovoltaic (PV) technologies. In this topical review article, we review recent progress in the field of organic-inorganic halide perovskite materials and solar cells. We associate these achievements with the fundamental knowledge gained in the perovskite research. The major recent advances in the fundamental perovskite material and solar cell research are highlighted, including the current efforts in visualizing the dynamical processes (in operando) taking place within a perovskite solar cell under operating conditions. We also discuss the existing technological challenges. Based on a survey of recently published works, we point out that to move the perovskite PV technology forward towards the next step of commercialization, what perovskite PV technology need the most in the coming next few years is not only further PCE enhancements, but also up-scaling, stability, and lead-toxicity.

  16. DFT +U Modeling of Hole Polarons in Organic Lead Halide Perovskites

    Science.gov (United States)

    Welch, Eric; Erhart, Paul; Scolfaro, Luisa; Zakhidov, Alex

    Due to the ever present drive towards improved efficiencies in solar cell technology, new and improved materials are emerging rapidly. Organic halide perovskites are a promising prospect, yet a fundamental understanding of the organic perovskite structure and electronic properties is missing. Particularly, explanations of certain physical phenomena, specifically a low recombination rate and high mobility of charge carriers still remain controversial. We theoretically investigate possible formation of hole polarons adopting methodology used for oxide perovskites. The perovskite studied here is the ABX3structure, with A being an organic cation, B lead and C a halogen; the combinations studied allow for A1,xA2 , 1 - xBX1,xX2 , 3 - xwhere the alloy convention is used to show mixtures of the organic cations and/or the halogens. Two organic cations, methylammonium and formamidinium, and three halogens, iodine, chlorine and bromine are studied. Electronic structures and polaron behavior is studied through first principle density functional theory (DFT) calculations using the Vienna Ab Initio Simulation Package (VASP). Local density approximation (LDA) pseudopotentials are used and a +U Hubbard correction of 8 eV is added; this method was shown to work with oxide perovskites. It is shown that a localized state is realized with the Hubbard correction in systems with an electron removed, residing in the band gap of each different structure. Thus, hole polarons are expected to be seen in these perovskites.

  17. Impact of the organic halide salt on final perovskite composition for photovoltaic applications

    KAUST Repository

    Moore, David T.

    2014-08-01

    The methylammonium lead halide perovskites have shown significant promise as a low-cost, second generation, photovoltaic material.Despite recent advances, however, there are still a number of fundamental aspects of their formation as well as their physical and electronic behavior that are not well understood. In this letter we explore the mechanism by which these materials crystallize by testing the outcome of each of the reagent halide salts. We find that components of both salts, lead halide and methylammonium halide, are relatively mobile and can be readily exchanged during the crystallization process when the reaction is carried out in solution or in the solid state. We exploit this fact by showing that the perovskite structure is formed even when the lead salt\\'s anion is a non-halide, leading to lower annealing temperature and time requirements for film formation. Studies into these behaviors may ultimately lead to improved processing conditions for photovoltaic films. © 2014 Author(s).

  18. Impact of the organic halide salt on final perovskite composition for photovoltaic applications

    Directory of Open Access Journals (Sweden)

    David T. Moore

    2014-08-01

    Full Text Available The methylammonium lead halide perovskites have shown significant promise as a low-cost, second generation, photovoltaic material. Despite recent advances, however, there are still a number of fundamental aspects of their formation as well as their physical and electronic behavior that are not well understood. In this letter we explore the mechanism by which these materials crystallize by testing the outcome of each of the reagent halide salts. We find that components of both salts, lead halide and methylammonium halide, are relatively mobile and can be readily exchanged during the crystallization process when the reaction is carried out in solution or in the solid state. We exploit this fact by showing that the perovskite structure is formed even when the lead salt's anion is a non-halide, leading to lower annealing temperature and time requirements for film formation. Studies into these behaviors may ultimately lead to improved processing conditions for photovoltaic films.

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

    Science.gov (United States)

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

    2017-12-06

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

  20. Cation-Dependent Light-Induced Halide Demixing in Hybrid Organic-Inorganic Perovskites.

    Science.gov (United States)

    Sutter-Fella, Carolin M; Ngo, Quynh P; Cefarin, Nicola; Gardner, Kira L; Tamura, Nobumichi; Stan, Camelia V; Drisdell, Walter S; Javey, Ali; Toma, Francesca M; Sharp, Ian D

    2018-06-13

    Mixed cation metal halide perovskites with increased power conversion efficiency, negligible hysteresis, and improved long-term stability under illumination, moisture, and thermal stressing have emerged as promising compounds for photovoltaic and optoelectronic applications. Here, we shed light on photoinduced halide demixing using in situ photoluminescence spectroscopy and in situ synchrotron X-ray diffraction (XRD) to directly compare the evolution of composition and phase changes in CH(NH 2 ) 2 CsPb-halide (FACsPb-) and CH 3 NH 3 Pb-halide (MAPb-) perovskites upon illumination, thereby providing insights into why FACs-perovskites are less prone to halide demixing than MA-perovskites. We find that halide demixing occurs in both materials. However, the I-rich domains formed during demixing accumulate strain in FACsPb-perovskites but readily relax in MA-perovskites. The accumulated strain energy is expected to act as a stabilizing force against halide demixing and may explain the higher Br composition threshold for demixing to occur in FACsPb-halides. In addition, we find that while halide demixing leads to a quenching of the high-energy photoluminescence emission from MA-perovskites, the emission is enhanced from FACs-perovskites. This behavior points to a reduction of nonradiative recombination centers in FACs-perovskites arising from the demixing process and buildup of strain. FACsPb-halide perovskites exhibit excellent intrinsic material properties with photoluminescence quantum yields that are comparable to MA-perovskites. Because improved stability is achieved without sacrificing electronic properties, these compositions are better candidates for photovoltaic applications, especially as wide bandgap absorbers in tandem cells.

  1. One-dimensional organic lead halide perovskites with efficient bluish white-light emission

    Science.gov (United States)

    Yuan, Zhao; Zhou, Chenkun; Tian, Yu; Shu, Yu; Messier, Joshua; Wang, Jamie C.; van de Burgt, Lambertus J.; Kountouriotis, Konstantinos; Xin, Yan; Holt, Ethan; Schanze, Kirk; Clark, Ronald; Siegrist, Theo; Ma, Biwu

    2017-01-01

    Organic-inorganic hybrid metal halide perovskites, an emerging class of solution processable photoactive materials, welcome a new member with a one-dimensional structure. Herein we report the synthesis, crystal structure and photophysical properties of one-dimensional organic lead bromide perovskites, C4N2H14PbBr4, in which the edge sharing octahedral lead bromide chains [PbBr4 2-]∞ are surrounded by the organic cations C4N2H14 2+ to form the bulk assembly of core-shell quantum wires. This unique one-dimensional structure enables strong quantum confinement with the formation of self-trapped excited states that give efficient bluish white-light emissions with photoluminescence quantum efficiencies of approximately 20% for the bulk single crystals and 12% for the microscale crystals. This work verifies once again that one-dimensional systems are favourable for exciton self-trapping to produce highly efficient below-gap broadband luminescence, and opens up a new route towards superior light emitters based on bulk quantum materials.

  2. Conducting tin halides with a layered organic-based perovskite structure

    Science.gov (United States)

    Mitzi, D. B.; Feild, C. A.; Harrison, W. T. A.; Guloy, A. M.

    1994-06-01

    THE discovery1 of high-temperature superconductivity in layered copper oxide perovskites has generated considerable fundamental and technological interest in this class of materials. Only a few other examples of conducting layered perovskites are known; these are also oxides such as (La1-xSrx)n+1 MnnO3n+1 (ref. 2), Lan+1NinO3n+1 (ref. 3) and Ban+1PbnO3n+1 (ref. 4), all of which exhibit a trend from semiconducting to metallic behaviour with increasing number of perovskite layers (n). We report here the synthesis of a family of organic-based layered halide perovskites, (C4H9NH3)2(CH3NH3)n-1Snnl3n+1 which show a similar transition from semiconducting to metallic behaviour with increasing n. The incorporation of an organic modulation layer between the conducting tin iodide sheets potentially provides greater flexibility for tuning the electrical properties of the perovskite sheets, and we suggest that such an approach will prove valuable for exploring the range of transport properties possible with layered perovskites.

  3. Impact of the organic halide salt on final perovskite composition for photovoltaic applications

    KAUST Repository

    Moore, David T.; Sai, Hiroaki; Wee Tan, Kwan; Estroff, Lara A.; Wiesner, Ulrich

    2014-01-01

    The methylammonium lead halide perovskites have shown significant promise as a low-cost, second generation, photovoltaic material.Despite recent advances, however, there are still a number of fundamental aspects of their formation as well

  4. Photofragmentation of metal halides

    International Nuclear Information System (INIS)

    Veen, N.J.A. van.

    1980-01-01

    The author deals with photodissociation of molecules of alkali halides. It is shown that the total absorption cross section consists of two contributions arising from transitions to excited states of total electronic angular momentum Ω=0 + and Ω=1. From the inversion of the absorption continua potential energy curves of the excited states can be constructed in the Franck-Condon region. It is found that for all alkali halides the 0 + state is higher in energy than the Ω=1 state. Extensive studies are reported on three thallium halides, TlI, TlBr and TlCl at various wavelengths covering the near ultraviolet region. (Auth.)

  5. Cation-Dependent Light-Induced Halide Demixing in Hybrid Organic-Inorganic Perovskites

    OpenAIRE

    Sutter-Fella, CM; Ngo, QP; Cefarin, N; Gardener, K; Tamura, N; Stan, CV; Drisdell, WS; Javey, A; Toma, FM; Sharp, ID

    2018-01-01

    © 2018 American Chemical Society. Mixed cation metal halide perovskites with increased power conversion efficiency, negligible hysteresis, and improved long term stability under illumination, moisture, and thermal stressing have emerged as promising compounds for photovoltaic and optoelectronic applications. Here, we shed light on photo-induced halide demixing using in-situ photoluminescence spectroscopy and in-situ synchrotron X-ray diffraction (XRD) to directly compare the evolution of comp...

  6. Nucleation and Crystal Growth of Organic-Inorganic Lead Halide Perovskites under Different Relative Humidity.

    Science.gov (United States)

    Gao, Hao; Bao, Chunxiong; Li, Faming; Yu, Tao; Yang, Jie; Zhu, Weidong; Zhou, Xiaoxin; Fu, Gao; Zou, Zhigang

    2015-05-06

    Organic-inorganic lead halide perovskite compounds are very promising materials for high-efficiency perovskite solar cells. But how to fabricate high-quality perovksite films under controlled humidity conditions is still an important issue due to their sensitivity to moisture. In this study, we investigated the influence of ambient humidity on crystallization and surface morphology of one-step spin-coated perovskite films, as well as the performance of solar cells based on these perovskite films. On the basis of experimental analyses and thin film growth theory, we conclude that the influence of ambient humidity on nucleation at spin-coating stage is quite different from that on crystal growth at annealing stage. At the spin-coating stage, high nucleation density induced by high supersaturation prefers to appear under anhydrous circumstances, resulting in layer growth and high coverage of perovskite films. But at the annealing stage, the modest supersaturation benefits formation of perovskite films with good crystallinity. The films spin-coated under low relative humidity (RH) followed by annealing under high RH show an increase of crystallinity and improved performance of devices. Therefore, a mechanism of fast nucleation followed by modest crystal growth (high supersaturation at spin-coating stage and modest supersaturation at annealing stage) is suggested in the formation of high-quality perovskite films.

  7. Ionic behavior of organic-inorganic metal halide perovskite based metal-oxide-semiconductor capacitors.

    Science.gov (United States)

    Wang, Yucheng; Zhang, Yuming; Pang, Tiqiang; Xu, Jie; Hu, Ziyang; Zhu, Yuejin; Tang, Xiaoyan; Luan, Suzhen; Jia, Renxu

    2017-05-24

    Organic-inorganic metal halide perovskites are promising semiconductors for optoelectronic applications. Despite the achievements in device performance, the electrical properties of perovskites have stagnated. Ion migration is speculated to be the main contributing factor for the many unusual electrical phenomena in perovskite-based devices. Here, to understand the intrinsic electrical behavior of perovskites, we constructed metal-oxide-semiconductor (MOS) capacitors based on perovskite films and performed capacitance-voltage (C-V) and current-voltage (I-V) measurements of the capacitors. The results provide direct evidence for the mixed ionic-electronic transport behavior within perovskite films. In the dark, there is electrical hysteresis in both the C-V and I-V curves because the mobile negative ions take part in charge transport despite frequency modulation. However, under illumination, the large amount of photoexcited free carriers screens the influence of the mobile ions with a low concentration, which is responsible for the normal C-V properties. Validation of ion migration for the gate-control ability of MOS capacitors is also helpful for the investigation of perovskite MOS transistors and other gate-control photovoltaic devices.

  8. Band Gap Tuning and Defect Tolerance of Atomically Thin Two-Dimensional Organic-Inorganic Halide Perovskites.

    Science.gov (United States)

    Pandey, Mohnish; Jacobsen, Karsten W; Thygesen, Kristian S

    2016-11-03

    Organic-inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability. Here we report first-principles calculations for isolated monolayers of the organometallic halide perovskites (C 4 H 9 NH 3 ) 2 MX 2 Y 2 , where M = Pb, Ge, Sn and X,Y = Cl, Br, I. The band gaps computed using the GLLB-SC functional are found to be in excellent agreement with experimental photoluminescence data for the already synthesized perovskites. Finally, we study the effect of different defects on the band structure. We find that the most common defects only introduce shallow or no states in the band gap, indicating that these atomically thin 2D perovskites are likely to be defect tolerant.

  9. How Important Is the Organic Part of Lead Halide Perovskite Photovoltaic Cells? Efficient CsPbBr3 Cells.

    Science.gov (United States)

    Kulbak, Michael; Cahen, David; Hodes, Gary

    2015-07-02

    Hybrid organic-inorganic lead halide perovskite photovoltaic cells have already surpassed 20% conversion efficiency in the few years that they have been seriously studied. However, many fundamental questions still remain unanswered as to why they are so good. One of these is "Is the organic cation really necessary to obtain high quality cells?" In this study, we show that an all-inorganic version of the lead bromide perovskite material works equally well as the organic one, in particular generating the high open circuit voltages that are an important feature of these cells.

  10. Band Gap Tuning and Defect Tolerance of Atomically Thin Two- Dimensional Organic-Inorganic Halide Perovskites

    OpenAIRE

    Pandey, Mohnish; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2016-01-01

    Organic−inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability. Here we report first-principles calculations for isolated monolayers of the organometallic halide perovskites (C4H9NH3)2MX2Y2, where M = Pb, Ge, Sn and X,Y = Cl, Br, I. The band gaps computed using the GLLB-SC ...

  11. Interface Engineering and Morphology Study of Thin Film Organic-Inorganic Halide Perovskite Optoelectronic Devices

    Science.gov (United States)

    Meng, Lei

    significantly improved compared with cells made with organic layers. Degradation mechanisms were investigated and important guidelines were derived for future device design with a view to achieving both highly efficient and stable solar devices. Organometal halide based perovskite material has great optoelectronic proprieties, for example, shallow traps, benign grain boundaries and high diffusion length. The perovskite LEDs show pure electroluminescence (EL) with narrow full width at half maximum (FWHM), which is an advantage for display, lighting or lasing applications. In chapter five, perovskite LEDs are demonstrated employing solution processed charge injection layers with a quantum efficiency of 1.16% with a very low driving voltage.

  12. A Study on Organic-Metal Halide Perovskite Film Morphology, Interfacial Layers, Tandem Applications, and Encapsulation

    Science.gov (United States)

    Fisher, Dallas A.

    Organic-metal halide perovskites have brought about a new wave of research in the photovoltaic community due to their ideally suited optical and electronic parameters. In less than a decade, perovskite solar cell performance has skyrocketed to unprecedented efficiencies with numerous reported methodologies. Perovskites face many challenges with high-quality film morphology, interfacial layers, and long-term stability. In this work, these active areas are explored through a combination of studies. First, the importance of perovskite film precursor ratios is explored with an in-depth study of carrier lifetime and solvent-grain effects. It was found that excess lead iodide precursor greatly improves the film morphology by reducing pinholes in the solar absorber. Dimethyl sulfoxide (DMSO) solvent was found to mend grains, as well as improve carrier lifetime and device performance, possibly by passivation of grain boundary traps. Second, applications of perovskite with tandem cells is investigated, with an emphasis for silicon devices. Perovskites can easily be integrated with silicon, which already has strong market presence. Additionally, both materials' bandgaps are ideally suited for maximum tandem efficiency. The silicon/perovskite tandem device structure necessitated the optimization of inverted (p-i-n) structure devices. PEDOT:PSS, copper oxide, and nickel oxide p-type layers were explored through a combination of photoluminescent, chemical reactivity, and solar simulation results. Results were hindered due to resistive ITO and rough silicon substrates, but tandem devices displayed Voc indicative of proper monolithic performance. Third, replacement of titanium dioxide n-type layer with iron oxide (Fe 2O3, common rust) was studied. Iron oxide experiences less ultraviolet instability than that of titanium dioxide under solar illumination. It was found that current density slightly decreased due to parasitic absorption from the rust, but that open circuit voltage

  13. Understanding the Slow Transient Optoelectronic Response of Hybrid Organic-Inorganic Halide Perovskites

    Science.gov (United States)

    Jacobs, Daniel Louis

    Hybrid organic-inorganic halide perovskites, particularly methylammonium lead triiodide (MAPbI3), have emerged within the past decade as an exciting class of photovoltaic materials. In less than ten years, MAPbI3-based photovoltaic devices have seen unprecedented performance growth, with photoconversion efficiency increasing from 3% to over 22%, making it competitive with traditional high-efficiency solar cells. Furthermore, the fabrication of MAPbI3 devices utilize low-temperature solution processing, which could facilitate ultra low cost manufacturing. However, MAPbI3 suffers from significant instabilities under working conditions that have limited their applications outside of the laboratory. The instability of the MAPbI3 material can be generalized as a complex, slow transient optoelectronic response (STOR). The mechanism of the generalized STOR is dependent on the native defects of MAPbI3, but detailed understanding of the material defect properties is complicated by the complex ionic bonding of MAPbI3. Furthermore, characterization of the intrinsic material's response is complicated by the diverse approach to material processing and device architecture across laboratories around the world. In order to understand and mitigate the significant problems of MAPbI3 devices, a new approach focused on the material response, rather than the full device response, must be pursued. This dissertation highlights the work to analyze and mitigate the STOR intrinsic to MAPbI3. An experimental platform was developed based on lateral interdigitated electrode (IDE) arrays capable of monitoring the current and photoluminescence response simultaneously. By correlating the dynamics of the current and photoluminescence (PL) responses, both charge trapping and ion migration mechanisms were identified to contribute to the STOR. Next, a novel fabrication technique is introduced that is capable of reliably depositing MAPbI3 thin films with grain sizes at least an order of magnitude

  14. Band Gap Tuning and Defect Tolerance of Atomically Thin Two- Dimensional Organic-Inorganic Halide Perovskites

    DEFF Research Database (Denmark)

    Pandey, Mohnish; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2016-01-01

    Organic−inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability. Here we...... report first-principles calculations for isolated monolayers of the organometallic halide perovskites (C4H9NH3)2MX2Y2, where M = Pb, Ge, Sn and X,Y = Cl, Br, I. The band gaps computed using the GLLB-SC functional are found to be in excellent agreement with experimental photoluminescence data...... for the already synthesized perovskites. Finally, we study the effect of different defects on the band structure. We find that the most common defects only introduce shallow or no states in the band gap, indicating that these atomically thin 2D perovskites are likely to be defect tolerant....

  15. Correlation between Soil Organic Matter, Total Organic Matter and ...

    African Journals Online (AJOL)

    A total of four sites distributed in different soils of Kelantan State, Malaysia was identified for the study. Soils were collected by depth interval of 0-10cm, 10-20cm and 20-30cm. The correlation of soil organic matter (SOM) content, total organic carbon (TOC) content, water content and soils texture for industrial area at ...

  16. Radiation processes in organic halides (Cl, Br, I) studied by ESR spectroscopy

    International Nuclear Information System (INIS)

    Symons, M.C.R.

    1980-01-01

    Electron-loss from alkyl halides (Cl, Br, I) gives Rhal. + which may dimerise to give (Rhal-halR) + σ* radicals with characteristic ESR spectra, or may lose H + to give α-halo radicals (R 2 Chal) also with well characterised ESR spectra. Electron-capture gives dissociation, but there may be weak residual charge-transfer interaction between R. and hal - which gives rise to well defined hyperfine coupling from the halide nuclei. Loss of β-hydrogen gives β-halo radicals, R 2 C-CH 2 hal (Cl,Br) whose conformation, established by ESR spectroscopy, is such that the halogen atom lies out of the radical plane so that overlap between the half-filled 2p(π) orbital and the C-hal (σ) orbital is maximised. Electron addition to α-halocarboxylates and related compounds probably gives β-halo radical anions, (R 2 C[hal]CO 2 H) - with a similar preferred conformation. Alternative structures are considered for these species. (author)

  17. METHODS FOR THE DETERMINATION OF TOTAL ORGANIC ...

    Science.gov (United States)

    Organic matter in soils and sediments is widely distributed over the earth's surface occurring in almost all terrestrial and aquatic environments (Schnitzer, 1978). Soils and sediments contain a large variety of organic materials ranging from simple sugars and carbohydrates to the more complex proteins, fats, waxes, and organic acids. Important characteristics of the organic matter include their ability to: form water-soluble and water- insoluble complexes with metal ions and hydrous oxides; interact with clay minerals and bind particles together; sorb and desorb both naturally-occurring and anthropogenically-introduced organic compounds; absorb and release plant nutrients; and hold water in the soil environment. As a result of these characteristics, the determination of total organic carbon (a measure of one of the chemical components of organic matter that is often used as an indicator of its presence in a soil or sediment) is an essential part of any site characterization since its presence or absence can markedly influence how chemicals will react in the soil or sediment. Soil and sediment total organic carbon (TOC) determinations are typically requested with contaminant analyses as part of an ecological risk assessment data package. TOC contents may be used qualitatively to assess the nature of the sampling location (e.g., was it a depositional area) or may be used to normalize portions of the analytical chemistry data set (e.g., equilibrium partitioning).

  18. Ultrastable Photoelectrodes for Solar Water Splitting Based on Organic Metal Halide Perovskite Fabricated by Lift-Off Process.

    Science.gov (United States)

    Nam, SeongSik; Mai, Cuc Thi Kim; Oh, Ilwhan

    2018-05-02

    Herein, we report an integrated photoelectrolysis of water employing organic metal halide (OMH) perovskite material. As generic OMH perovskite material and device architecture are highly susceptible to degradation by aqueous electrolytes, we have developed a versatile mold-cast and lift-off process to fabricate and assemble multipurpose metal encapsulation onto perovskite devices. With the metal encapsulation effectively protecting the perovskite cell and also functioning as electrocatalyst, the high-performance perovskite photoelectrodes exhibit high photovoltage and photocurrent that are effectively inherited from the original solid-state solar cell. More importantly, thus-fabricated perovskite photoelectrode demonstrates record-long unprecedented stability even at highly oxidizing potential in strong alkaline electrolyte. We expect that this versatile lift-off process can be adapted in a wide variety of photoelectrochemical devices to protect the material surfaces from corroding electrolyte and facilitate various electrochemical reactions.

  19. Origin of unusual bandgap shift and dual emission in organic-inorganic lead halide perovskites.

    Science.gov (United States)

    Dar, M Ibrahim; Jacopin, Gwénolé; Meloni, Simone; Mattoni, Alessandro; Arora, Neha; Boziki, Ariadni; Zakeeruddin, Shaik Mohammed; Rothlisberger, Ursula; Grätzel, Michael

    2016-10-01

    Emission characteristics of metal halide perovskites play a key role in the current widespread investigations into their potential uses in optoelectronics and photonics. However, a fundamental understanding of the molecular origin of the unusual blueshift of the bandgap and dual emission in perovskites is still lacking. In this direction, we investigated the extraordinary photoluminescence behavior of three representatives of this important class of photonic materials, that is, CH 3 NH 3 PbI 3 , CH 3 NH 3 PbBr 3 , and CH(NH 2 ) 2 PbBr 3 , which emerged from our thorough studies of the effects of temperature on their bandgap and emission decay dynamics using time-integrated and time-resolved photoluminescence spectroscopy. The low-temperature (photoluminescence of CH 3 NH 3 PbI 3 and CH 3 NH 3 PbBr 3 reveals two distinct emission peaks, whereas that of CH(NH 2 ) 2 PbBr 3 shows a single emission peak. Furthermore, irrespective of perovskite composition, the bandgap exhibits an unusual blueshift by raising the temperature from 15 to 300 K. Density functional theory and classical molecular dynamics simulations allow for assigning the additional photoluminescence peak to the presence of molecularly disordered orthorhombic domains and also rationalize that the unusual blueshift of the bandgap with increasing temperature is due to the stabilization of the valence band maximum. Our findings provide new insights into the salient emission properties of perovskite materials, which define their performance in solar cells and light-emitting devices.

  20. Interplay between organic cations and inorganic framework and incommensurability in hybrid lead-halide perovskite CH3NH3PbBr3

    Science.gov (United States)

    Guo, Yinsheng; Yaffe, Omer; Paley, Daniel W.; Beecher, Alexander N.; Hull, Trevor D.; Szpak, Guilherme; Owen, Jonathan S.; Brus, Louis E.; Pimenta, Marcos A.

    2017-09-01

    Organic-inorganic coupling in the hybrid lead-halide perovskite is a central issue in rationalizing the outstanding photovoltaic performance of these emerging materials. Here, we compare and contrast the evolution of the structure and dynamics of hybrid CH3NH3PbBr3 and inorganic CsPbBr3 lead-halide perovskites with temperature, using Raman spectroscopy and single-crystal x-ray diffraction. Results reveal a stark contrast between their order-disorder transitions, which are abrupt for the hybrid whereas smooth for the inorganic perovskite. X-ray diffraction observes an intermediate incommensurate phase between the ordered and the disordered phases in CH3NH3PbBr3 . Low-frequency Raman scattering captures the appearance of a sharp soft mode in the incommensurate phase, ascribed to the theoretically predicted amplitudon mode. Our work highlights the interaction between the structural dynamics of organic cation CH3NH3+ and the lead-halide framework, and unravels the competition between tendencies for the organic and inorganic moieties to minimize energy in the incommensurate phase of the hybrid perovskite structure.

  1. High-Performance CH3NH3PbI3-Inverted Planar Perovskite Solar Cells with Fill Factor Over 83% via Excess Organic/Inorganic Halide.

    Science.gov (United States)

    Jahandar, Muhammad; Khan, Nasir; Lee, Hang Ken; Lee, Sang Kyu; Shin, Won Suk; Lee, Jong-Cheol; Song, Chang Eun; Moon, Sang-Jin

    2017-10-18

    The reduction of charge carrier recombination and intrinsic defect density in organic-inorganic halide perovskite absorber materials is a prerequisite to achieving high-performance perovskite solar cells with good efficiency and stability. Here, we fabricated inverted planar perovskite solar cells by incorporation of a small amount of excess organic/inorganic halide (methylammonium iodide (CH 3 NH 3 I; MAI), formamidinium iodide (CH(NH 2 ) 2 I; FAI), and cesium iodide (CsI)) in CH 3 NH 3 PbI 3 perovskite film. Larger crystalline grains and enhanced crystallinity in CH 3 NH 3 PbI 3 perovskite films with excess organic/inorganic halide reduce the charge carrier recombination and defect density, leading to enhanced device efficiency (MAI+: 14.49 ± 0.30%, FAI+: 16.22 ± 0.38% and CsI+: 17.52 ± 0.56%) compared to the efficiency of a control MAPbI 3 device (MAI: 12.63 ± 0.64%) and device stability. Especially, the incorporation of a small amount of excess CsI in MAPbI 3 perovskite film leads to a highly reproducible fill factor of over 83%, increased open-circuit voltage (from 0.946 to 1.042 V), and short-circuit current density (from 18.43 to 20.89 mA/cm 2 ).

  2. Role of organic cations on hybrid halide perovskite CH3NH3PbI3 surfaces

    Science.gov (United States)

    Teng, Qiang; Shi, Ting-Ting; Tian, Ren-Yu; Yang, Xiao-Bao; Zhao, Yu-Jun

    2018-02-01

    Organic-inorganic hybrid halide perovskite CH3NH3PbI3 (MAPbI3) has received rapid progress in power conversion efficiency as promising photovoltaic materials, yet the surface structures and the role of MA cations are not well understood. In this work, we investigated the structural stability and electronic properties of (001) surface of cubic, (001) and (110) surfaces of tetragonal and orthorhombic phases of MAPbI3 with considering the orientation of MA cations, by density functional theory calculations. We demonstrate that the orientation of MA cations has profound consequences on the structural stability and the electronic properties of the surfaces, in contrast to the bulk phases. Compared with the MA-I terminated surfaces, the Pb-I2 terminated ones generally have smaller band gaps and the advantage to enable the photo-excited holes to transfer to the hole-transport materials in both tetragonal and orthorhombic phases. Overall, we suggest that the films with Pb-I2 terminated surfaces would prevail in high performance solar energy absorbers.

  3. Effect of cuprous halide interlayers on the device performance of ZnPc/C{sub 60} organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jinho; Park, Dasom; Heo, Ilsu; Yim, Sanggyu, E-mail: sgyim@kookmin.ac.kr

    2014-10-15

    Highlights: • Effect of CuX interlayers on subsequently deposited films and devices was studied. • CuI is the most effective for the performance of ZnPc/C{sub 60}-based solar cells. • Results were related to the molecular geometry of ZnPc and HOMO level of interlayers. - Abstract: The effect of various cuprous halide (CuX) interlayers introduced between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) layer and zinc phthalocyanine (ZnPc) layer on the physical properties of the ZnPc thin films and device performances of ZnPc/C{sub 60}-based small-molecule organic solar cells was studied. Strong substrate–molecule interaction between the CuX and ZnPc partly converted surface-perpendicular stacking geometry of ZnPc molecules into surface-parallel one. This flat-lying geometry led to an enhancement in electronic absorption and charge transport within the ZnPc films. As a result, the overall power conversion efficiency of the cell with CuI interlayer increased by ∼37%. In the case of the cells with CuBr and CuCl interlayer, however, the enhancement in device performances was limited because of the reduced conversion of the molecular geometry and increased energy barrier for hole extraction due to the low highest occupied molecular orbital level of the interlayer.

  4. Effect of cuprous halide interlayers on the device performance of ZnPc/C60 organic solar cells

    International Nuclear Information System (INIS)

    Lee, Jinho; Park, Dasom; Heo, Ilsu; Yim, Sanggyu

    2014-01-01

    Highlights: • Effect of CuX interlayers on subsequently deposited films and devices was studied. • CuI is the most effective for the performance of ZnPc/C 60 -based solar cells. • Results were related to the molecular geometry of ZnPc and HOMO level of interlayers. - Abstract: The effect of various cuprous halide (CuX) interlayers introduced between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) layer and zinc phthalocyanine (ZnPc) layer on the physical properties of the ZnPc thin films and device performances of ZnPc/C 60 -based small-molecule organic solar cells was studied. Strong substrate–molecule interaction between the CuX and ZnPc partly converted surface-perpendicular stacking geometry of ZnPc molecules into surface-parallel one. This flat-lying geometry led to an enhancement in electronic absorption and charge transport within the ZnPc films. As a result, the overall power conversion efficiency of the cell with CuI interlayer increased by ∼37%. In the case of the cells with CuBr and CuCl interlayer, however, the enhancement in device performances was limited because of the reduced conversion of the molecular geometry and increased energy barrier for hole extraction due to the low highest occupied molecular orbital level of the interlayer

  5. [Sources of error in the European Pharmacopoeia assay of halide salts of organic bases by titration with alkali].

    Science.gov (United States)

    Kószeginé, S H; Ráfliné, R Z; Paál, T; Török, I

    2000-01-01

    A short overview has been given by the authors on the titrimetric assay methods of halide salts of organic bases in the pharmacopoeias of greatest importance. The alternative procedures introduced by the European Pharmacopoeia Commission some years ago to replace the non-aqueous titration with perchloric acid in the presence of mercuric acetate have also been presented and evaluated. The authors investigated the limits of applicability and the sources of systematic errors (bias) of the strongly preferred titration with sodium hydroxide in an alcoholic medium. To assess the bias due to the differences between the results calculated from the two inflexion points of the titration curves and the two real endpoints corresponding to the strong and weak acids, respectively, the mathematical analysis of the titration curve function was carried out. This bias, generally negligible when the pH change near the endpoint of the titration is more than 1 unit, is the function of the concentration, the apparent pK of the analyte and the ionic product of water (ethanol) in the alcohol-water mixtures. Using the validation data gained for the method with the titration of ephedrine hydrochloride the authors analysed the impact of carbon dioxide in the titration medium on the additive and proportional systematic errors of the method. The newly introduced standardisation procedure of the European Pharmacopoeia for the sodium hydroxide titrant to decrease the systematic errors caused by carbon dioxide has also been evaluated.

  6. Hydrolysis in the organic phase during the extraction of alkali metal halides and water by copper bis(2-ethylhexyl)phosphate

    International Nuclear Information System (INIS)

    Golovanov, V.I.; Kuznetsov, S.M.

    2001-01-01

    Experimental data on extraction of halides, among which are LiCl and CsCl, and water by copper di-(2-ethylhexyl)phosphate solutions in respect to hydrolysis mechanism of reaction are generalized. Copper di-(2-ethylhexyl)phosphate manifests properties of ionogen colloidal surfactant in water. Extraction of halides by copper di-(2-ethylhexyl)phosphate was shown to be visualized by the process of capsule formation in MHal molecules, as well as in hydrolyzed MOH and HHal forms of electrolyte by Cu 4 (D2EHF) 8 · hH 2 O clathrate-like micellar associates. The model of hydrolysis mechanism is not different from proposed earlier model of electrolyte extraction with their partial dissociation in organic phase [ru

  7. Quantum confinement and dielectric profiles of colloidal nanoplatelets of halide inorganic and hybrid organic-inorganic perovskites

    Science.gov (United States)

    Sapori, Daniel; Kepenekian, Mikaël; Pedesseau, Laurent; Katan, Claudine; Even, Jacky

    2016-03-01

    Quantum confinement as well as high frequency ε∞ and static εs dielectric profiles are described for nanoplatelets of halide inorganic perovskites CsPbX3 (X = I, Br, Cl) and hybrid organic-inorganic perovskites (HOP) in two-dimensional (2D) and three-dimensional (3D) structures. 3D HOP are currently being sought for their impressive photovoltaic ability. Prior to this sudden popularity, 2D HOP materials were driving intense activity in the field of optoelectronics. Such developments have been enriched by the recent ability to synthesize colloidal nanostructures of controlled sizes of 2D and 3D HOP. This raises the need to achieve a thorough description of the electronic structure and dielectric properties of these systems. In this work, we go beyond the abrupt dielectric interface model and reach the atomic scale description. We examine the influence of the nature of the halogen and of the cation on the band structure and dielectric constants. Similarly, we survey the effect of dimensionality and shape of the perovskite. In agreement with recent experimental results, we show an increase of the band gap and a decrease of ε∞ when the size of a nanoplatelet reduces. By inspecting 2D HOP, we find that it cannot be described as a simple superposition of independent inorganic and organic layers. Finally, the dramatic impact of ionic contributions on the dielectric constant εs is analysed.Quantum confinement as well as high frequency ε∞ and static εs dielectric profiles are described for nanoplatelets of halide inorganic perovskites CsPbX3 (X = I, Br, Cl) and hybrid organic-inorganic perovskites (HOP) in two-dimensional (2D) and three-dimensional (3D) structures. 3D HOP are currently being sought for their impressive photovoltaic ability. Prior to this sudden popularity, 2D HOP materials were driving intense activity in the field of optoelectronics. Such developments have been enriched by the recent ability to synthesize colloidal nanostructures of controlled

  8. Environmental Friendly Azide-Alkyne Cycloaddition Reaction of Azides, Alkynes, and Organic Halides or Epoxides in Water: Efficient "Click" Synthesis of 1,2,3-Triazole Derivatives by Cu Catalyst

    Institute of Scientific and Technical Information of China (English)

    刘建明; 刘慕文; 岳园园; 姚美焕; 卓克垒

    2012-01-01

    An efficient click synthesis of 1,2,3-triazole derivatives from benzyl halides or alkyl halides, epoxides, terminal alkynes, and sodium azides in the presence of copper salts and relative benzimidazole salts have been developed. This procedure eliminates the need to handle potentially organic azides, which are generated in situ. A broad spec- trum of substrates can participate in the process effectively to produce the desired products in good yields.

  9. DISPOSAL OF POISONOUS ORGANIC HALIDES BY USING THE ELECTROCHEMICAL METHOD: DFT SIMULATION

    Directory of Open Access Journals (Sweden)

    Tudor Spataru

    2016-12-01

    Full Text Available Geometry optimizations at the UBP86/6-311++G** level of electronic structure theory have been performed for DDT, β-hexachlorocyclohexane, and heptachlor organic polychlorides as well for their positive and negative ions. The HOMO composition of these neutral molecules show no participation of the carbon-chlorine atomic orbitals, while LUMO of the calculated molecules include a major contribution of the anti-bonding character atomic orbitals from the two or three carbon-chloride bonds of each calculated molecule. Consequently, the negative ions were the most sensitive structure during the geometry optimization, showing the carbon-chloride bonds cleaving during the electronic structure calculations. Further geometry optimization of the obtained neutral intermediate molecules after the fi rst and second reducing by two electrons show that the electrochemical dehalogenation of the organic poychlorides is sequential.

  10. Solution-Processed Organic and Halide Perovskite Transistors on Hydrophobic Surfaces.

    Science.gov (United States)

    Ward, Jeremy W; Smith, Hannah L; Zeidell, Andrew; Diemer, Peter J; Baker, Stephen R; Lee, Hyunsu; Payne, Marcia M; Anthony, John E; Guthold, Martin; Jurchescu, Oana D

    2017-05-31

    Solution-processable electronic devices are highly desirable due to their low cost and compatibility with flexible substrates. However, they are often challenging to fabricate due to the hydrophobic nature of the surfaces of the constituent layers. Here, we use a protein solution to modify the surface properties and to improve the wettability of the fluoropolymer dielectric Cytop. The engineered hydrophilic surface is successfully incorporated in bottom-gate solution-deposited organic field-effect transistors (OFETs) and hybrid organic-inorganic trihalide perovskite field-effect transistors (HTP-FETs) fabricated on flexible substrates. Our analysis of the density of trapping states at the semiconductor-dielectric interface suggests that the increase in the trap density as a result of the chemical treatment is minimal. As a result, the devices exhibit good charge carrier mobilities, near-zero threshold voltages, and low electrical hysteresis.

  11. Low-Dimensional Organic-Inorganic Halide Perovskite: Structure, Properties, and Applications.

    Science.gov (United States)

    Misra, Ravi K; Cohen, Bat-El; Iagher, Lior; Etgar, Lioz

    2017-10-09

    Three-dimensional (3 D) perovskite has attracted a lot of attention owing to its success in photovoltaic (PV) solar cells. However, one of its major crucial issues lies in its stability, which has limited its commercialization. An important property of organic-inorganic perovskite is the possibility of forming a layered material by using long organic cations that do not fit into the octahedral cage. These long organic cations act as a "barrier" that "caps" 3 D perovskite to form the layered material. Controlling the number of perovskite layers could provide a confined structure with chemical and physical properties that are different from those of 3 D perovskite. This opens up a whole new batch of interesting materials with huge potential for optoelectronic applications. This Minireview presents the synthesis, properties, and structural orientation of low-dimensional perovskite. It also discusses the progress of low-dimensional perovskite in PV solar cells, which, to date, have performance comparable to that of 3 D perovskite but with enhanced stability. Finally, the use of low-dimensional perovskite in light-emitting diodes (LEDs) and photodetectors is discussed. The low-dimensional perovskites are promising candidates for LED devices, mainly because of their high radiative recombination as a result of the confined low-dimensional quantum well. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Structural tunability and switchable exciton emission in inorganic-organic hybrids with mixed halides

    International Nuclear Information System (INIS)

    Ahmad, Shahab; Vijaya Prakash, G.; Baumberg, Jeremy J.

    2013-01-01

    Room-temperature tunable excitonic photoluminescence is demonstrated in alloy-tuned layered Inorganic-Organic (IO) hybrids, (C 12 H 25 NH 3 ) 2 PbI 4(1−y) Br 4y (y = 0 to 1). These perovskite IO hybrids adopt structures with alternating stacks of low-dimensional inorganic and organic layers, considered to be naturally self-assembled multiple quantum wells. These systems resemble stacked monolayer 2D semiconductors since no interlayer coupling exists. Thin films of IO hybrids exhibit sharp and strong photoluminescence (PL) at room-temperature due to stable excitons formed within the low-dimensional inorganic layers. Systematic variation in the observed exciton PL from 510 nm to 350 nm as the alloy composition is changed, is attributed to the structural readjustment of crystal packing upon increase of the Br content in the Pb-I inorganic network. The energy separation between exciton absorption and PL is attributed to the modified exciton density of states and diffusion of excitons from relatively higher energy states corresponding to bromine rich sites towards the lower energy iodine sites. Apart from compositional fluctuations, these excitons show remarkable reversible flips at temperature-induced phase transitions. All the results are successfully correlated with thermal and structural studies. Such structural engineering flexibility in these hybrids allows selective tuning of desirable exciton properties within suitable operating temperature ranges. Such wide-range PL tunability and reversible exciton switching in these novel IO hybrids paves the way to potential applications in new generation of optoelectronic devices

  13. Structural tunability and switchable exciton emission in inorganic-organic hybrids with mixed halides

    Science.gov (United States)

    Ahmad, Shahab; Baumberg, Jeremy J.; Vijaya Prakash, G.

    2013-12-01

    Room-temperature tunable excitonic photoluminescence is demonstrated in alloy-tuned layered Inorganic-Organic (IO) hybrids, (C12H25NH3)2PbI4(1-y)Br4y (y = 0 to 1). These perovskite IO hybrids adopt structures with alternating stacks of low-dimensional inorganic and organic layers, considered to be naturally self-assembled multiple quantum wells. These systems resemble stacked monolayer 2D semiconductors since no interlayer coupling exists. Thin films of IO hybrids exhibit sharp and strong photoluminescence (PL) at room-temperature due to stable excitons formed within the low-dimensional inorganic layers. Systematic variation in the observed exciton PL from 510 nm to 350 nm as the alloy composition is changed, is attributed to the structural readjustment of crystal packing upon increase of the Br content in the Pb-I inorganic network. The energy separation between exciton absorption and PL is attributed to the modified exciton density of states and diffusion of excitons from relatively higher energy states corresponding to bromine rich sites towards the lower energy iodine sites. Apart from compositional fluctuations, these excitons show remarkable reversible flips at temperature-induced phase transitions. All the results are successfully correlated with thermal and structural studies. Such structural engineering flexibility in these hybrids allows selective tuning of desirable exciton properties within suitable operating temperature ranges. Such wide-range PL tunability and reversible exciton switching in these novel IO hybrids paves the way to potential applications in new generation of optoelectronic devices.

  14. Records Management in Organization and Total Quality

    Directory of Open Access Journals (Sweden)

    Fahrettin Özdemirci

    1999-06-01

    Full Text Available In this article the relationship between total quality management and records managemen t are examined. It has also been indicated that the records mana­gement has vita'ly important part for realizing the total quality management approach.

  15. Continuous-wave lasing in an organic-inorganic lead halide perovskite semiconductor

    Science.gov (United States)

    Jia, Yufei; Kerner, Ross A.; Grede, Alex J.; Rand, Barry P.; Giebink, Noel C.

    2017-12-01

    Hybrid organic-inorganic perovskites have emerged as promising gain media for tunable, solution-processed semiconductor lasers. However, continuous-wave operation has not been achieved so far1-3. Here, we demonstrate that optically pumped continuous-wave lasing can be sustained above threshold excitation intensities of 17 kW cm-2 for over an hour in methylammonium lead iodide (MAPbI3) distributed feedback lasers that are maintained below the MAPbI3 tetragonal-to-orthorhombic phase transition temperature of T ≈ 160 K. In contrast with the lasing death phenomenon that occurs for pure tetragonal-phase MAPbI3 at T > 160 K (ref. 4), we find that continuous-wave gain becomes possible at T ≈ 100 K from tetragonal-phase inclusions that are photogenerated by the pump within the normally existing, larger-bandgap orthorhombic host matrix. In this mixed-phase system, the tetragonal inclusions function as carrier recombination sinks that reduce the transparency threshold, in loose analogy to inorganic semiconductor quantum wells, and may serve as a model for engineering improved perovskite gain media.

  16. Modeling of catalytically active metal complex species and intermediates in reactions of organic halides electroreduction.

    Science.gov (United States)

    Lytvynenko, Anton S; Kolotilov, Sergey V; Kiskin, Mikhail A; Eremenko, Igor L; Novotortsev, Vladimir M

    2015-02-28

    The results of quantum chemical modeling of organic and metal-containing intermediates that occur in electrocatalytic dehalogenation reactions of organic chlorides are presented. Modeling of processes that take place in successive steps of the electrochemical reduction of representative C1 and C2 chlorides - CHCl3 and Freon R113 (1,1,2-trifluoro-1,2,2-trichloroethane) - was carried out by density functional theory (DFT) and second-order Møller-Plesset perturbation theory (MP2). It was found that taking solvation into account using an implicit solvent model (conductor-like screening model, COSMO) or considering explicit solvent molecules gave similar results. In addition to modeling of simple non-catalytic dehalogenation, processes with a number of complexes and their reduced forms, some of which were catalytically active, were investigated by DFT. Complexes M(L1)2 (M = Fe, Co, Ni, Cu, Zn, L1H = Schiff base from 2-pyridinecarbaldehyde and the hydrazide of 4-pyridinecarboxylic acid), Ni(L2) (H2L2 is the Schiff base from salicylaldehyde and 1,2-ethylenediamine, known as salen) and Co(L3)2Cl2, representing a fragment of a redox-active coordination polymer [Co(L3)Cl2]n (L3 is the dithioamide of 1,3-benzenedicarboxylic acid), were considered. Gradual changes in electronic structure in a series of compounds M(L1)2 were observed, and correlations between [M(L1)2](0) spin-up and spin-down LUMO energies and the relative energies of the corresponding high-spin and low-spin reduced forms, as well as the shape of the orbitals, were proposed. These results can be helpful for determination of the nature of redox-processes in similar systems by DFT. No specific covalent interactions between [M(L1)2](-) and the R113 molecule (M = Fe, Co, Ni, Zn) were found, which indicates that M(L1)2 electrocatalysts act rather like electron transfer mediators via outer-shell electron transfer. A relaxed surface scan of the adducts {M(L1)2·R113}(-) (M = Ni or Co) versus the distance between the

  17. [Total analysis of organic rubber additives].

    Science.gov (United States)

    He, Wen-Xuan; Robert, Shanks; You, Ye-Ming

    2010-03-01

    In the present paper, after middle pressure chromatograph separation using both positive phase and reversed-phase conditions, the organic additives in ethylene-propylene rubber were identified by infrared spectrometer. At the same time, by using solid phase extraction column to maintain the main component-fuel oil in organic additves to avoid its interfering with minor compounds, other organic additves were separated and analysed by GC/Ms. In addition, the remaining active compound such as benzoyl peroxide was identified by CC/Ms, through analyzing acetone extract directly. Using the above mentioned techniques, soften agents (fuel oil, plant oil and phthalte), curing agent (benzoylperoxide), vulcanizing accelerators (2-mercaptobenzothiazole, ethyl thiuram and butyl thiuram), and antiagers (2, 6-Di-tert-butyl-4-methyl phenol and styrenated phenol) in ethylene-propylene rubber were identified. Although the technique was established in ethylene-propylene rubber system, it can be used in other rubber system.

  18. Resonant halide perovskite nanoparticles

    Science.gov (United States)

    Tiguntseva, Ekaterina Y.; Ishteev, Arthur R.; Komissarenko, Filipp E.; Zuev, Dmitry A.; Ushakova, Elena V.; Milichko, Valentin A.; Nesterov-Mueller, Alexander; Makarov, Sergey V.; Zakhidov, Anvar A.

    2017-09-01

    The hybrid halide perovskites is a prospective material for fabrication of cost-effective optical devices. Unique perovskites properties are used for solar cells and different photonic applications. Recently, perovskite-based nanophotonics has emerged. Here, we consider perovskite like a high-refractive index dielectric material, which can be considered to be a basis for nanoparticles fabrication with Mie resonances. As a result, we fabricate and study resonant perovskite nanoparticles with different sizes. We reveal, that spherical nanoparticles show enhanced photoluminescence signal. The achieved results lay a cornerstone in the field of novel types of organic-inorganic nanophotonics devices with optical properties improved by Mie resonances.

  19. Characterization of silver halide fiber optics and hollow silica waveguides for use in the construction of a mid-infrared attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy probe.

    Science.gov (United States)

    Damin, Craig A; Sommer, André J

    2013-11-01

    Advances in fiber optic materials have allowed for the construction of fibers and waveguides capable of transmitting infrared radiation. An investigation of the transmission characteristics associated with two commonly used types of infrared-transmitting fibers/waveguides for prospective use in a fiber/waveguide-coupled attenuated total internal reflection (ATR) probe was performed. Characterization of silver halide polycrystalline fiber optics and hollow silica waveguides was done on the basis of the transmission of infrared light using a conventional fiber optic coupling accessory and an infrared microscope. Using the fiber optic coupling accessory, the average percent transmission for three silver halide fibers was 18.1 ± 6.1% relative to a benchtop reflection accessory. The average transmission for two hollow waveguides (HWGs) using the coupling accessory was 8.0 ± 0.3%. (Uncertainties in the relative percent transmission represent the standard deviations.) Reduced transmission observed for the HWGs was attributed to the high numerical aperture of the coupling accessory. Characterization of the fibers/waveguides using a zinc selenide lens objective on an infrared microscope indicated 24.1 ± 7.2% of the initial light input into the silver halide fibers was transmitted. Percent transmission obtained for the HWGs was 98.7 ± 0.1%. Increased transmission using the HWGs resulted from the absence or minimization of insertion and scattering losses due to the hollow air core and a better-matched numerical aperture. The effect of bending on the transmission characteristics of the fibers/waveguides was also investigated. Significant deviations in the transmission of infrared light by the solid-core silver halide fibers were observed for various bending angles. Percent transmission greater than 98% was consistently observed for the HWGs at the bending angles. The combined benefits of high percent transmission, reproducible instrument responses, and increased bending

  20. Organic-inorganic perovskites containing trivalent metal halide layers: the templating influence of the organic cation layer.

    Science.gov (United States)

    Mitzi, D B

    2000-12-25

    Thin sheetlike crystals of the metal-deficient perovskites (H2AEQT)M2/3I4 [M = Bi or Sb; AEQT = 5,5"'-bis-(aminoethyl)-2,2':5',2'':5'',2'''-quaterthiophene] were formed from slowly cooled ethylene glycol/2-butanol solutions containing the bismuth(III) or antimony(III) iodide and AEQT.2HI salts. Each structure was refined in a monoclinic (C2/m) subcell, with the lattice parameters a = 39.712(13) A, b = 5.976(2) A, c = 6.043(2) A, beta = 92.238(5) degrees, and Z = 2 for M = Bi and a = 39.439(7) A, b = 5.952(1) A, c = 6.031(1) A, beta = 92.245(3) degrees, and Z = 2 for M = Sb. The trivalent metal cations locally adopt a distorted octahedral coordination, with M-I bond lengths ranging from 3.046(1) to 3.218(3) A (3.114 A average) for M = Bi and 3.012(1) to 3.153(2) A (3.073 A average) for M = Sb. The new organic-inorganic hybrids are the first members of a metal-deficient perovskite family consisting of (Mn+)2/nV(n-2)/nX4(2-) sheets, where V represents a vacancy (generally left out of the formula) and the metal cation valence, n, is greater than 2. The organic layers in the AEQT-based organic-inorganic hybrids feature edge-to-face aromatic interactions among the rigid, rodlike quaterthiophene moieties, which may help to stabilize the unusual metal-deficient layered structures.

  1. Chemoselective Radical Dehalogenation and C-C Bond Formation on Aryl Halide Substrates Using Organic Photoredox Catalysts.

    Science.gov (United States)

    Poelma, Saemi O; Burnett, G Leslie; Discekici, Emre H; Mattson, Kaila M; Treat, Nicolas J; Luo, Yingdong; Hudson, Zachary M; Shankel, Shelby L; Clark, Paul G; Kramer, John W; Hawker, Craig J; Read de Alaniz, Javier

    2016-08-19

    Despite the number of methods available for dehalogenation and carbon-carbon bond formation using aryl halides, strategies that provide chemoselectivity for systems bearing multiple carbon-halogen bonds are still needed. Herein, we report the ability to tune the reduction potential of metal-free phenothiazine-based photoredox catalysts and demonstrate the application of these catalysts for chemoselective carbon-halogen bond activation to achieve C-C cross-coupling reactions as well as reductive dehalogenations. This procedure works both for conjugated polyhalides as well as unconjugated substrates. We further illustrate the usefulness of this protocol by intramolecular cyclization of a pyrrole substrate, an advanced building block for a family of natural products known to exhibit biological activity.

  2. Charge carrier recombination channels in the low-temperature phase of organic-inorganic lead halide perovskite thin films

    Science.gov (United States)

    Wehrenfennig, Christian; Liu, Mingzhen; Snaith, Henry J.; Johnston, Michael B.; Herz, Laura M.

    2014-08-01

    The optoelectronic properties of the mixed hybrid lead halide perovskite CH3NH3PbI3-xClx have been subject to numerous recent studies related to its extraordinary capabilities as an absorber material in thin film solar cells. While the greatest part of the current research concentrates on the behavior of the perovskite at room temperature, the observed influence of phonon-coupling and excitonic effects on charge carrier dynamics suggests that low-temperature phenomena can give valuable additional insights into the underlying physics. Here, we present a temperature-dependent study of optical absorption and photoluminescence (PL) emission of vapor-deposited CH3NH3PbI3-xClx exploring the nature of recombination channels in the room- and the low-temperature phase of the material. On cooling, we identify an up-shift of the absorption onset by about 0.1 eV at about 100 K, which is likely to correspond to the known tetragonal-to-orthorhombic transition of the pure halide CH3NH3PbI3. With further decreasing temperature, a second PL emission peak emerges in addition to the peak from the room-temperature phase. The transition on heating is found to occur at about 140 K, i.e., revealing significant hysteresis in the system. While PL decay lifetimes are found to be independent of temperature above the transition, significantly accelerated recombination is observed in the low-temperature phase. Our data suggest that small inclusions of domains adopting the room-temperature phase are responsible for this behavior rather than a spontaneous increase in the intrinsic rate constants. These observations show that even sparse lower-energy sites can have a strong impact on material performance, acting as charge recombination centres that may detrimentally affect photovoltaic performance but that may also prove useful for optoelectronic applications such as lasing by enhancing population inversion.

  3. Charge carrier recombination channels in the low-temperature phase of organic-inorganic lead halide perovskite thin films

    Directory of Open Access Journals (Sweden)

    Christian Wehrenfennig

    2014-08-01

    Full Text Available The optoelectronic properties of the mixed hybrid lead halide perovskite CH3NH3PbI3−xClx have been subject to numerous recent studies related to its extraordinary capabilities as an absorber material in thin film solar cells. While the greatest part of the current research concentrates on the behavior of the perovskite at room temperature, the observed influence of phonon-coupling and excitonic effects on charge carrier dynamics suggests that low-temperature phenomena can give valuable additional insights into the underlying physics. Here, we present a temperature-dependent study of optical absorption and photoluminescence (PL emission of vapor-deposited CH3NH3PbI3−xClx exploring the nature of recombination channels in the room- and the low-temperature phase of the material. On cooling, we identify an up-shift of the absorption onset by about 0.1 eV at about 100 K, which is likely to correspond to the known tetragonal-to-orthorhombic transition of the pure halide CH3NH3PbI3. With further decreasing temperature, a second PL emission peak emerges in addition to the peak from the room-temperature phase. The transition on heating is found to occur at about 140 K, i.e., revealing significant hysteresis in the system. While PL decay lifetimes are found to be independent of temperature above the transition, significantly accelerated recombination is observed in the low-temperature phase. Our data suggest that small inclusions of domains adopting the room-temperature phase are responsible for this behavior rather than a spontaneous increase in the intrinsic rate constants. These observations show that even sparse lower-energy sites can have a strong impact on material performance, acting as charge recombination centres that may detrimentally affect photovoltaic performance but that may also prove useful for optoelectronic applications such as lasing by enhancing population inversion.

  4. Supercritical Water Oxidation Total Organic Carbon (TOC) Analysis

    Science.gov (United States)

    The work presented here is the evaluation of the modified wet‐oxidation method described as Supercritical Water Oxidation (SCWO) for the analysis of total organic carbon (TOC) in very difficult oil/gas produced water sample matrices.

  5. Mini Total Organic Carbon Analyzer (miniTOCA)

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this development is to create a prototype hand-held, 1 to 2 liter size battery-powered Total Organic Carbon Analyzer (TOCA). The majority of...

  6. Morphology-Controlled Synthesis of Organometal Halide Perovskite Inverse Opals.

    Science.gov (United States)

    Chen, Kun; Tüysüz, Harun

    2015-11-09

    The booming development of organometal halide perovskites in recent years has prompted the exploration of morphology-control strategies to improve their performance in photovoltaic, photonic, and optoelectronic applications. However, the preparation of organometal halide perovskites with high hierarchical architecture is still highly challenging and a general morphology-control method for various organometal halide perovskites has not been achieved. A mild and scalable method to prepare organometal halide perovskites in inverse opal morphology is presented that uses a polystyrene-based artificial opal as hard template. Our method is flexible and compatible with different halides and organic ammonium compositions. Thus, the perovskite inverse opal maintains the advantage of straightforward structure and band gap engineering. Furthermore, optoelectronic investigations reveal that morphology exerted influence on the conducting nature of organometal halide perovskites. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Removal of absorbable organic halides (aox) from recycled paper mill effluent using granular activated carbon-sequencing batch biofilm reactor (GAC-SBBR)

    International Nuclear Information System (INIS)

    Mohamad, A.B.; Rahman, R.A.; Kadhum, A.A.H.; Abdullah, S.R.S.; Shaari, S.

    2006-01-01

    Paper mills generate varieties of pollutants depending upon the type of the pulping process. Paper mill wastewaters have high chemical oxygen demand (COD) and colour, indicating high concentrations of recalcitrant organics. The study was conducted employing a Granular Activated Carbon - Sequencing Batch Biofilm Reactor (GAC-SBBR), containing 3.0 L working volume, operated in aerobic condition and packed with 200 g/L of 2-3 mm granular activated carbon (coconut shells) as a medium for biofilm growth. For the first couple of month, the HRT was 36 hours and the HRT of this reactor was adjusted to 24 hours in order to evaluate the performance of the system. The treated wastewater sample for these studies came from a recycle paper factory from MNI Sdn Bhd with 4 different samples characteristics. The adsorbable organic halides (AOX) to be determined and treated were Pentachlorophenol (PCP), 2,3,4,5-Tetrachlorophenol (2,3,4,5-TeCP), 2,4,6-Trichlorophenol (2,4,6-TCP), 2,4-Dichlorophenol ( 2,4-DCP), 2-Chlorophenol (CP) and phenol. Results showed that, the biofilm attached onto granular activated carbon (GAC) could substantially remove these recalcitrant in the wastewater. More over, results from the studies showed that high removal was achieved by the biofilm SBR with 10-100% removal of AOX and depending on HRT. (Author)

  8. Total volatile organic compounds (TVOC) in indoor air quality investigations

    DEFF Research Database (Denmark)

    Mølhave, L.; Clausen, Geo; Berglund, B.

    1997-01-01

    The amount of volatile organic compounds (VOCs) in indoor air, usually called TVOC (total volatile organic compounds), has been measured using different definitions and techniques which yield different results. This report recommends a definition of TVOC referring to a specified range of VOCs...... for characterizing indoor pollution and for improving source control as required from the points of view of health, comfort, energy efficiency and sustainability. (C) Indoor Air (1997)....

  9. Entropy in halide perovskites

    Science.gov (United States)

    Katan, Claudine; Mohite, Aditya D.; Even, Jacky

    2018-05-01

    Claudine Katan, Aditya D. Mohite and Jacky Even discuss the possible impact of various entropy contributions (stochastic structural fluctuations, anharmonicity and lattice softness) on the optoelectronic properties of halide perovskite materials and devices.

  10. Photoluminescence and self-assembly of cesium lead halide perovskite nanocrystals: Effects of chain length of organic amines and reaction temperature

    International Nuclear Information System (INIS)

    Yuan, Yi; Liu, Zheming; Liu, Zhenyang; Peng, Lan; Li, Yongjie; Tang, Aiwei

    2017-01-01

    Highlights: • CsPbBr_3 perovskite nanocrystals have been synthesized in the presence of organic amines with different hydrocarbon length. • The photoluminescence of the CsPbBr_3 nanocrystals is affected by the varying the carbon length of the organic amines. • The lower reaction temperature and hydrocarbon chain length of the organic ligands play a significant role in the self-assembly of CsPbBr_3 nanocrystals. - Abstract: All-inorganic halide perovskites have become one of the most prospective materials for lightening and display technology due to their color-tunable and narrow-band emission. Herein, we have systematically studied the effects of organic amines with different hydrocarbon chain length on the optical properties and morphology as well as the crystal structure of colloidal CsPbBr_3 nanocrystals (NCs), which were synthesized in the presence of oleic acid (OA) and organic amines by using a simple hot-injection approach. The hydrocarbon chain length has shown an independent correlation to the morphology and crystal structure of the as-obtained CsPbBr_3 NCs at 160 °C, but their optical properties can be affected to some extent. The photoluminescence quantum yields (PLQYs) of the CsPbBr_3 NCs synthesized in the presence of organic amines with long carbon chain length are generally in the range of 55–80% for different reaction time, but the PLQYs of less than 20% are obtained for the products synthesized in the presence of octylamine (OTAm) with short carbon chain length. The effects of the reaction temperature on the optical properties, size and crystal structure of the CsPbBr_3 NCs synthesized in the presence of cetylamine (CTAm) are studied. Interestingly, some nanoplates also appear in these CsPbBr_3 NCs obtained at relatively low temperatures (120 and 140 °C), which have a strong tendency to self-assemble into face-to-face nanostructures. Such a similar self-assembly behavior is also observed in the product synthesized in the presence of

  11. Photoluminescence and self-assembly of cesium lead halide perovskite nanocrystals: Effects of chain length of organic amines and reaction temperature

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Yi; Liu, Zheming; Liu, Zhenyang; Peng, Lan; Li, Yongjie; Tang, Aiwei, E-mail: awtang@bjtu.edu.cn

    2017-05-31

    Highlights: • CsPbBr{sub 3} perovskite nanocrystals have been synthesized in the presence of organic amines with different hydrocarbon length. • The photoluminescence of the CsPbBr{sub 3} nanocrystals is affected by the varying the carbon length of the organic amines. • The lower reaction temperature and hydrocarbon chain length of the organic ligands play a significant role in the self-assembly of CsPbBr{sub 3} nanocrystals. - Abstract: All-inorganic halide perovskites have become one of the most prospective materials for lightening and display technology due to their color-tunable and narrow-band emission. Herein, we have systematically studied the effects of organic amines with different hydrocarbon chain length on the optical properties and morphology as well as the crystal structure of colloidal CsPbBr{sub 3} nanocrystals (NCs), which were synthesized in the presence of oleic acid (OA) and organic amines by using a simple hot-injection approach. The hydrocarbon chain length has shown an independent correlation to the morphology and crystal structure of the as-obtained CsPbBr{sub 3} NCs at 160 °C, but their optical properties can be affected to some extent. The photoluminescence quantum yields (PLQYs) of the CsPbBr{sub 3} NCs synthesized in the presence of organic amines with long carbon chain length are generally in the range of 55–80% for different reaction time, but the PLQYs of less than 20% are obtained for the products synthesized in the presence of octylamine (OTAm) with short carbon chain length. The effects of the reaction temperature on the optical properties, size and crystal structure of the CsPbBr{sub 3} NCs synthesized in the presence of cetylamine (CTAm) are studied. Interestingly, some nanoplates also appear in these CsPbBr{sub 3} NCs obtained at relatively low temperatures (120 and 140 °C), which have a strong tendency to self-assemble into face-to-face nanostructures. Such a similar self-assembly behavior is also observed in the

  12. Selection criteria for oxidation method in total organic carbon measurement.

    Science.gov (United States)

    Yoon, GeunSeok; Park, Sang-Min; Yang, Heuiwon; Tsang, Daniel C W; Alessi, Daniel S; Baek, Kitae

    2018-05-01

    During the measurement of total organic carbon (TOC), dissolved organic carbon is converted into CO 2 by using high temperature combustion (HTC) or wet chemical oxidation (WCO). However, the criteria for selecting the oxidation methods are not clear. In this study, the chemical structures of organic material were considered as a key factor to select the oxidation method used. Most non-degradable organic compounds showed a similar oxidation efficiency in both methods, including natural organic compounds, dyes, and pharmaceuticals, and thus both methods are appropriate to measure TOC in waters containing these compounds. However, only a fraction of the carbon in the halogenated compounds (perfluorooctanoic acid and trifluoroacetic acid) were oxidized using WCO, resulting in measured TOC values that are considerably lower than those determined by HTC. This result is likely due to the electronegativity of halogen elements which inhibits the approach of electron-rich sulfate radicals in the WCO, and the higher bond strength of carbon-halogen pairs as compared to carbon-hydrogen bonds, which results in a lower degree of oxidation of the compounds. Our results indicate that WCO could be used to oxidize most organic compounds, but may not be appropriate to quantify TOC in organic carbon pools that contain certain halogenated compounds. Copyright © 2018 Elsevier Ltd. All rights reserved.

  13. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich

    2013-01-01

    Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. The storage in the halide ammines is very safe, and the salts are therefore highly relevant as a carbon-free energy carrier in future transportation infrastructure...... selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, a function based on e.g. stability, release temperature and storage capacity. The search space includes all alkaline, alkaline earth, 3d and 4d metals and the four lightest halides. In total...... the search spaces consists of millions combinations, which makes a GA ideal, to reduce the number of necessary calculations. We are screening for a one step release from either a hexa or octa ammine, and we have found promising candidates, which will be further investigated ? both computationally...

  14. Photoluminescence and self-assembly of cesium lead halide perovskite nanocrystals: Effects of chain length of organic amines and reaction temperature

    Science.gov (United States)

    Yuan, Yi; Liu, Zheming; Liu, Zhenyang; Peng, Lan; Li, Yongjie; Tang, Aiwei

    2017-05-01

    All-inorganic halide perovskites have become one of the most prospective materials for lightening and display technology due to their color-tunable and narrow-band emission. Herein, we have systematically studied the effects of organic amines with different hydrocarbon chain length on the optical properties and morphology as well as the crystal structure of colloidal CsPbBr3 nanocrystals (NCs), which were synthesized in the presence of oleic acid (OA) and organic amines by using a simple hot-injection approach. The hydrocarbon chain length has shown an independent correlation to the morphology and crystal structure of the as-obtained CsPbBr3 NCs at 160 °C, but their optical properties can be affected to some extent. The photoluminescence quantum yields (PLQYs) of the CsPbBr3 NCs synthesized in the presence of organic amines with long carbon chain length are generally in the range of 55-80% for different reaction time, but the PLQYs of less than 20% are obtained for the products synthesized in the presence of octylamine (OTAm) with short carbon chain length. The effects of the reaction temperature on the optical properties, size and crystal structure of the CsPbBr3 NCs synthesized in the presence of cetylamine (CTAm) are studied. Interestingly, some nanoplates also appear in these CsPbBr3 NCs obtained at relatively low temperatures (120 and 140 °C), which have a strong tendency to self-assemble into face-to-face nanostructures. Such a similar self-assembly behavior is also observed in the product synthesized in the presence of oleylamine (OLAm), but only flat nanoplates are observed in the products in the presence of OTAm at 120 °C. The results indicate that the lower reaction temperature and hydrocarbon chain length of the organic ligands play a significant role in the self-assembly of CsPbBr3 NCs. This work opens up an alternative approach to controllable-synthesis of perovskite NCs through varying the carbon chain length of organic surfactants, and enlightens

  15. Determination of total organic phosphorus in samples of mineral soils

    Directory of Open Access Journals (Sweden)

    Armi Kaila

    1962-01-01

    Full Text Available In this paper some observations on the estimation of organic phosphorus in mineral soils are reported. The fact is emphasized that the accuracy of all the methods available is relatively poor. Usually, there are no reasons to pay attention to differences less than about 20 ppm. of organic P. Analyses performed on 345 samples of Finnish mineral soils by the extraction method of MEHTA et. al. (10 and by a simple procedure adopted by the author (successive extractions with 4 N H2SO4 and 0.5 N NaOH at room temperature in the ratio of 1 to 100 gave, on the average, equal results. It seemed to be likely that the MEHTA method removed the organic phosphorus more completely than did the less vigorous method, but in the former the partial hydrolysis of organic phosphorus compounds tends to be higher than in the latter. An attempt was made to find out whether the differences between the respective values for organic phosphorus obtained by an ignition method and the simple extraction method could be connected with any characteristics of the soil. No correlation or only a low correlation coefficient could be calculated between the difference in the results of these two methods and e. g. the pH-value, the content of clay, organic carbon, aluminium and iron soluble in Tamm’s acid oxalate, the indicator of the phosphate sorption capacity, or the »Fe-bound» inorganic phosphorus, respectively. The absolute difference tended to increase with an increase in the content of organic phosphorus. For the 250 samples of surface soils analyzed, the ignition method gave values which were, on the average, about 50 ppm. higher than the results obtained by the extraction procedure. The corresponding difference for the 120 samples from deeper layers was about 20 ppm of organic P. The author recommends, for the present, the determination of the total soil organic phosphorus as an average of the results obtained by the ignition method and the extraction method.

  16. Characterization and monitoring of total organic chloride vapors

    International Nuclear Information System (INIS)

    Anheier, N.C. Jr.; Evans, J.C. Jr.; Olsen, K.B.

    1992-07-01

    Chemical sensors are being developed intermediate highly selective and broadly selective methods. PNL is developing an optical-emission based TOCl (total organic chlorinated compounds) sensor (Halosnif) which is capable of measuring TOCl in real time on an extracted gas sample over a wide linear dynamic range. Halosnif employs an atomic emission sensor that is broadly selective for any moderately volatile organic hclorinated vapor but does not distinguish between classes of chlorinated compounds. A rf-induced He plasma is used to excite the chlorine atoms, causing light emission at 837.6 nm. The sensitivity ranges from 1-2 ppM up to at least 10,000 ppM. Field tests were conducted at Tinker AFB in areas of high TCE contamination, in two boreholes at Savannah River, and at Hanford CCl 4 vapor extraction system. This sensor is briefly compared with acoustic wave sensors being developed by SNL (PAWS). 4 figs

  17. Kinetics of Adsorbable Organic Halides (AOX Reduction in Laccase-Aided Chlorine Dioxide Bleaching of Bagasse Pulp

    Directory of Open Access Journals (Sweden)

    Xueping Song

    2016-07-01

    Full Text Available This paper presents a kinetic model of the laccase-aided chlorine dioxide bleaching of bagasse pulp. The kinetic model was based on the rate of reduction of adsorbed organic halogen (AOX. The effects of the laccase enzyme dosage, the mediator 1-hydroxybenzotriazole (HBT dosage, and the reaction temperature on the AOX content of the bleaching effluent are discussed. Good fits were obtained for the experimental data obtained from the different laccase enzyme dosages, HBT dosages, and reaction temperatures, indicating the feasibility of the kinetic model as a means of predicting the optimal operation conditions for the laccase-aided chlorine dioxide bleaching of bagasse pulp in the future.

  18. Total organic carbon in aggregates as a soil recovery indicator

    Science.gov (United States)

    Luciene Maltoni, Katia; Rodrigues Cassiolato, Ana Maria; Amorim Faria, Glaucia; Dubbin, William

    2015-04-01

    The soil aggregation promotes physical protection of organic matter, preservation of which is crucial to improve soil structure, fertility and ensure the agro-ecosystems sustainability. The no-tillage cultivation system has been considered as one of the strategies to increase total soil organic carbono (TOC) contents and soil aggregation, both are closely related and influenced by soil management systems. The aim of this study was to evaluate the distribution of soil aggregates and the total organic carbon inside aggregates, with regard to soil recovery, under 3 different soil management systems, i.e. 10 and 20 years of no-tillage cultivation as compared with soil under natural vegetation (Cerrado). Undisturbed soils (0-5; 5-10; and 10-20 cm depth) were collected from Brazil, Central Region. The soils, Oxisols from Cerrado, were collected from a field under Natural Vegetation-Cerrado (NV), and from fields that were under conventional tillage since 1970s, and 10 and 20 years ago were changed to no-tillage cultivation system (NT-10; NT-20 respectively). The undisturbed samples were sieved (4mm) and the aggregates retained were further fractionated by wet sieving through five sieves (2000, 1000, 500, 250, and 50 μm) with the aggregates distribution expressed as percentage retained by each sieve. The TOC was determined, for each aggregate size, by combustion (Thermo-Finnigan). A predominance of aggregates >2000 μm was observed under NV treatment (92, 91, 82 %), NT-10 (64, 73, 61 %), and NT-20 (71, 79, 63 %) for all three depths (0-5; 5-10; 10-20 cm). In addition greater quantities of aggregates in sizes 1000, 500, 250 and 50 μm under NT-10 and NT-20 treatments, explain the lower aggregate stability under these treatments compared to the soil under NV. The organic C concentration for NV in aggregates >2000 μm was 24,4; 14,2; 8,7 mg/g for each depth (0-5; 5-10; 10-20 cm, respectively), higher than in aggregates sized 250-50 μm (7,2; 5,5; 4,4 mg/g) for all depths

  19. DEVELOP NEW TOTAL ORGANIC CARBON/SPECIFIC UV ...

    Science.gov (United States)

    The purpose of this project is to provide a total organic carbon (TOC)/specific ultraviolet absorbance (SUVA) method that will be used by the Office of Ground Water and Drinking Water (OGWDW) to support monitoring requirements of the Stage 2 Disinfectant/Disinfection By-products (D/DBP) Rule. The Stage 2 Rule requires that enhanced water treatment be used if the source water is high in aquatic organic matter prior to the application of a disinfectant. Disinfectants (chlorine, ozone, etc.) are used in the production of drinking water in order to reduce the risk of microbial disease. These disinfectants react with the organic material that is naturally present in the source water to form disinfection by-products (DBPs). Exposure to some of these by-products may pose a long term health risk. The number and nature of DBPs make it impossible to fully characterize all of the by-products formed during the treatment of drinking water and it is more cost effective to reduce formation of DBPs than to remove them from the water after they are formed. Two measurements (TOC and SUVA) are believed to be predictive of the amount of by-products that can be formed during the disinfection of drinking water and are considered to be surrogates for DBP precursors. SUVA is calculated as the ultraviolet absorption at 254nm (UV254) in cm-1 divided by the mg/L dissolved organic carbon (DOC) concentration (measured after filtration of the water through a 0.45um pore-diameter filte

  20. Applying total quality management concepts to public health organizations.

    Science.gov (United States)

    Kaluzny, A D; McLaughlin, C P; Simpson, K

    1992-01-01

    Total quality management (TQM) is a participative, systematic approach to planning and implementing a continuous organizational improvement process. Its approach is focused on satisfying customers' expectations, identifying problems, building commitment, and promoting open decision-making among workers. TQM applies analytical tools, such as flow and statistical charts and check sheets, to gather data about activities within an organization. TQM uses process techniques, such as nominal groups, brainstorming, and consensus forming to facilitate communication and decision making. TQM applications in the public sector and particularly in public health agencies have been limited. The process of integrating TQM into public health agencies complements and enhances the Model Standards Program and assessment methodologies, such as the Assessment Protocol for Excellence in Public Health (APEX-PH), which are mechanisms for establishing strategic directions for public health. The authors examine the potential for using TQM as a method to achieve and exceed standards quickly and efficiently. They discuss the relationship of performance standards and assessment methodologies with TQM and provide guidelines for achieving the full potential of TQM in public health organizations. The guidelines include redefining the role of management, defining a common corporate culture, refining the role of citizen oversight functions, and setting realistic estimates of the time needed to complete a task or project. PMID:1594734

  1. Maximum total organic carbon limit for DWPF melter feed

    International Nuclear Information System (INIS)

    Choi, A.S.

    1995-01-01

    DWPF recently decided to control the potential flammability of melter off-gas by limiting the total carbon content in the melter feed and maintaining adequate conditions for combustion in the melter plenum. With this new strategy, all the LFL analyzers and associated interlocks and alarms were removed from both the primary and backup melter off-gas systems. Subsequently, D. Iverson of DWPF- T ampersand E requested that SRTC determine the maximum allowable total organic carbon (TOC) content in the melter feed which can be implemented as part of the Process Requirements for melter feed preparation (PR-S04). The maximum TOC limit thus determined in this study was about 24,000 ppm on an aqueous slurry basis. At the TOC levels below this, the peak concentration of combustible components in the quenched off-gas will not exceed 60 percent of the LFL during off-gas surges of magnitudes up to three times nominal, provided that the melter plenum temperature and the air purge rate to the BUFC are monitored and controlled above 650 degrees C and 220 lb/hr, respectively. Appropriate interlocks should discontinue the feeding when one or both of these conditions are not met. Both the magnitude and duration of an off-gas surge have a major impact on the maximum TOC limit, since they directly affect the melter plenum temperature and combustion. Although the data obtained during recent DWPF melter startup tests showed that the peak magnitude of a surge can be greater than three times nominal, the observed duration was considerably shorter, on the order of several seconds. The long surge duration assumed in this study has a greater impact on the plenum temperature than the peak magnitude, thus making the maximum TOC estimate conservative. Two models were used to make the necessary calculations to determine the TOC limit

  2. ORGANIC CARBON AND TOTAL NITROGEN IN THE DENSIMETRIC FRACTIONS OF ORGANIC MATTER UNDER DIFFERENT SOIL MANAGEMEN

    Directory of Open Access Journals (Sweden)

    MARCELO RIBEIRO VILELA PRADO

    2016-01-01

    Full Text Available The evaluation of land use and management by the measurement of soil organic matter and its fractions has gained attention since it helps in the understanding of the dynamics of their contribution to soil productivity, especially in tropical environments. This study was conducted in the municipality of Colorado do Oeste, state of Rondônia, Brazil and its aim was to determinethe quantity of organic carbon and total nitrogen in the light and heavy fractions of organic matter in the surface layers of a typic hapludalf under different land use systems: Native Forest: open evergreen forest, reference environment; Agroforestry System 1: teak (Tectona grandis LF and kudzu (Pueraria montana; Agroforestry System 2: coffee (Coffea canephora, marandu palisade grass (Brachiaria brizantha cv. Marandu, “pinho cuiabano” (Parkia multijuga, teak and kudzu.; Agroforestry System 3: teak and cocoa (Theobroma cacao; Silvopasture System: teak, cocoa and marandu palisade grass; and Extensive Grazing System: marandu palisade grass. The experimental design was a randomized block in split-split plots (use systems versus soil layers of 0-0.05 and 0.05-0.10 m with three replications. The results showed that relative to Native Forest, the Agroforestry System 2 had equal- and greater amounts of organic carbon and total nitrogen respectively (light and heavy fractions in the soil organic matter, with the light fraction being responsible for storage of approximately 45% and 70% of the organic carbon and total nitrogen, respectively. Therefore, the light densimetric fraction proved to be useful in the early identification of the general decline of the soil organic matter in the land use systems evaluated.

  3. On the Boiling Points of the Alkyl Halides.

    Science.gov (United States)

    Correia, John

    1988-01-01

    Discusses the variety of explanations in organic chemistry textbooks of a physical property of organic compounds. Focuses on those concepts explaining attractive forces between molecules. Concludes that induction interactions play a major role in alkyl halides and other polar organic molecules and should be given wider exposure in chemistry texts.…

  4. Comparative evaluation of organic and inorganic fertilizers on total ...

    African Journals Online (AJOL)

    user

    2013-05-01

    May 1, 2013 ... livestock. New food uses of cassava include flour in gluten free .... The alkaline pictrate method of Sarkiyayi and Agar (2010) was used to determine .... marionberry, strawberry, and corn grown using organic, and sustainable ...

  5. Beyond "The Total Organization": A Graduate-Level Simulation

    Science.gov (United States)

    Kane, Kathleen R.; Goldgehn, Leslie A.

    2011-01-01

    This simulation is designed to help students understand the complexity of organizational life and learn how to navigate a work world of chaos, conflict, and uncertainty. This adaptation and update of an exercise by Cohen, Fink, Gadon, and Willits has been a successful addition to MBA and EMBA courses. The participants must self-organize, choose…

  6. METHOD 415.3 - MEASUREMENT OF TOTAL ORGANIC ...

    Science.gov (United States)

    2.0 SUMMARY OF METHOD2.1 In both TOC and DOC determinations, organic carbon in the water sample is oxidized to form carbon dioxide (CO2), which is then measured by a detection system. There are two different approaches for the oxidation of organic carbon in water samples to carbon dioxide gas: (a) combustion in an oxidizing gas and (b) UV promoted or heat catalized chemical oxidation with a persulfate solution. Carbon dioxide, which is released from the oxidized sample, is detected by a conductivity detector or by a nondispersive infrared (NDIR) detector. Instruments using any combination of the above technologies may be used in this method.2.2. Setteable solids and floating matter may cause plugging of valves, tubing, and the injection needle port. The TOC procedure allows the removal of settleable solids and floating matter. The suspended matter is considered part of the sample. The resulting water sample is then considered a close approximation of the original whole water sample for the purpose of TOC measurement.2.3. The DOC procedure requires that the sample be passed through a 0.45 um filter prior to analysis.2.4. The TOC and DOC procedures require that all inorganic carbon be removed from the sample before the sample is analyzed for organic carbon content. If the inorganic carbon (IC) is not completely removed, significant error will occur. The inorganic carbon interference is removed by converting the mineralized IC to CO2 by acidification and

  7. Local Polar Fluctuations in Lead Halide Perovskite Crystals

    Science.gov (United States)

    Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.; Egger, David A.; Hull, Trevor; Stoumpos, Constantinos C.; Zheng, Fan; Heinz, Tony F.; Kronik, Leeor; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Rappe, Andrew M.; Pimenta, Marcos A.; Brus, Louis E.

    2017-03-01

    Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine low-frequency Raman scattering with first-principles molecular dynamics (MD) to study the fundamental nature of these local polar fluctuations. Our observations of a strong central peak in the cubic phase of both hybrid (CH3 NH3 PbBr3 ) and all-inorganic (CsPbBr3 ) lead-halide perovskites show that anharmonic, local polar fluctuations are intrinsic to the general lead-halide perovskite structure, and not unique to the dipolar organic cation. MD simulations indicate that head-to-head Cs motion coupled to Br face expansion, occurring on a few hundred femtosecond time scale, drives the local polar fluctuations in CsPbBr3 .

  8. Large polarons in lead halide perovskites

    OpenAIRE

    Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

    2017-01-01

    Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3 ? framewor...

  9. Ultrafast time-resolved spectroscopy of lead halide perovskite films

    Science.gov (United States)

    Idowu, Mopelola A.; Yau, Sung H.; Varnavski, Oleg; Goodson, Theodore

    2015-09-01

    Recently, lead halide perovskites which are organic-inorganic hybrid structures, have been discovered to be highly efficient as light absorbers. Herein, we show the investigation of the excited state dynamics and emission properties of non-stoichiometric precursor formed lead halide perovskites grown by interdiffusion method using steady-state and time-resolved spectroscopic measurements. The influence of the different ratios of the non-stoichiometric precursor solution was examined. The observed photoluminescence properties were correlated with the femtosecond transient absorption measurements.

  10. Making and Breaking of Lead Halide Perovskites

    KAUST Repository

    Manser, Joseph S.

    2016-02-16

    A new front-runner has emerged in the field of next-generation photovoltaics. A unique class of materials, known as organic metal halide perovskites, bridges the gap between low-cost fabrication and exceptional device performance. These compounds can be processed at low temperature (typically in the range 80–150 °C) and readily self-assemble from the solution phase into high-quality semiconductor thin films. The low energetic barrier for crystal formation has mixed consequences. On one hand, it enables inexpensive processing and both optical and electronic tunability. The caveat, however, is that many as-formed lead halide perovskite thin films lack chemical and structural stability, undergoing rapid degradation in the presence of moisture or heat. To date, improvements in perovskite solar cell efficiency have resulted primarily from better control over thin film morphology, manipulation of the stoichiometry and chemistry of lead halide and alkylammonium halide precursors, and the choice of solvent treatment. Proper characterization and tuning of processing parameters can aid in rational optimization of perovskite devices. Likewise, gaining a comprehensive understanding of the degradation mechanism and identifying components of the perovskite structure that may be particularly susceptible to attack by moisture are vital to mitigate device degradation under operating conditions. This Account provides insight into the lifecycle of organic–inorganic lead halide perovskites, including (i) the nature of the precursor solution, (ii) formation of solid-state perovskite thin films and single crystals, and (iii) transformation of perovskites into hydrated phases upon exposure to moisture. In particular, spectroscopic and structural characterization techniques shed light on the thermally driven evolution of the perovskite structure. By tuning precursor stoichiometry and chemistry, and thus the lead halide charge-transfer complexes present in solution, crystallization

  11. Making and Breaking of Lead Halide Perovskites

    KAUST Repository

    Manser, Joseph S.; Saidaminov, Makhsud I.; Christians, Jeffrey A.; Bakr, Osman; Kamat, Prashant V.

    2016-01-01

    To date, improvements in perovskite solar cell efficiency have resulted primarily from better control over thin film morphology, manipulation of the stoichiometry and chemistry of lead halide and alkylammonium halide precursors, and the choice

  12. Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors

    NARCIS (Netherlands)

    Pedesseau, Laurent; Sapori, Daniel; Traore, Boubacar; Robles, Roberto; Fang, Hong-Hua; Loi, Maria Antonietta; Tsai, Hsinhan; Nie, Wanyi; Blancon, Jean-Christophe; Neukirch, Amanda; Tretiak, Sergei; Mohite, Aditya D.; Katan, Claudine; Even, Jacky; Kepenekian, Mikael

    2016-01-01

    Layered halide hybrid organic inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells

  13. Demixing in a metal halide lamp, results from modelling

    NARCIS (Netherlands)

    Beks, M.L.; Hartgers, A.; Mullen, van der J.J.A.M.

    2006-01-01

    Convection and diffusion in the discharge region of a metal halide lamp is studied using a computer model built with the plasma modeling package Plasimo. A model lamp contg. mercury and sodium iodide is studied. The effects of the total lamp pressure on the degree of segregation of the light

  14. Dislocation unpinning model of acoustic emission from alkali halide ...

    Indian Academy of Sciences (India)

    AE) from alkali halide crystals. Equations are derived for the strain dependence of the transient AE pulse rate, peak value of the AE pulse rate and the total number of AE pulse emitted. It is found that the AE pulse rate should be maximum for a ...

  15. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei

    2017-04-01

    With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

  16. The Balanced Scorecard versus Total Quality Management: which is better for your organization?

    Science.gov (United States)

    Schwartz, Jay

    2005-10-01

    Today's health care organizations must deal with managed care, government oversight, aging baby boomers, new technologies, and increasing pharmaceutical prices. It is imperative that health care organizations adopt some form of business strategy to manage the vast amount of information available. Two of the more popular strategies among health care organizations are the Balanced Scorecard and Total Quality Management. Which one of the strategies is best for an organization? The answer to this question is that it depends on the organization. This article provides the fundamentals of each strategy and contrasts their strengths and weaknesses, so that interested organizations can make informed decisions regarding the best strategy for each organization.

  17. Screening for organic solvents in Hanford waste tanks using total non- methane organic compound vapor concentrations

    International Nuclear Information System (INIS)

    Huckaby, J.L.; Glissmeyer, J.A.; Sklarew, D.S.

    1997-02-01

    The potential ignition of organic liquids stored in the Hanford high-level radioactive waste tanks is a safety issue because expanding gases could affect tank dome integrity. This report presents results of a screening test that was applied to 75 passively ventilated waste tanks at Hanford to determine those that might contain a significant amount of organic liquid waste. The screening test is based on a simple model of tank headspace, headspace organic vapor concentrations, and certain tank physical parameters. Analyses indicate that damage to the tank dome is credible only if the organic liquid burn rate is above a threshold value, and this can occur only if the surface area of organic liquid in a tank is above a corresponding threshold value of about one square meter. Twelve tanks were identified as potentially containing at least that amount of semivolatile organic liquid based on conservative estimates. Tank head space organic vapor concentrations and physical parameters required by the screening test have been compiled and are presented for each of the tanks studied. Estimates of the ventilation rates of the waste tanks were revised to reflect recent information obtained from hydrogen monitoring data. A simple analysis of the uncertainty in the test results suggests that the largest current uncertainty in the estimation of organic liquid surface area is that associated with knowledge of the tank ventilation rate. The uncertainty analysis is applied to determine 95% confidence limits for the estimated organic waste surface area in each tank

  18. Objective comparison of subtotal vs. total abdominal hysterectomy regarding pelvic organ prolapse and urinary incontinence

    DEFF Research Database (Denmark)

    Andersen, Lea Laird; Møller, Lars Alling; Gimbel, Helga Margrethe Elisabeth

    2015-01-01

    OBJECTIVE: To compare subtotal and total abdominal hysterectomy regarding objective assessment of pelvic organ prolapse, urinary incontinence and voiding function 14 years after hysterectomy for benign diseases. STUDY DESIGN: Long-term follow-up of a randomized clinical trial of subtotal vs. total......, total: 100), the PFDI-20 questionnaire was answered by 140 (46.1%) (subtotal: 68, total: 72). We found no difference between subtotal and total abdominal hysterectomy in the PFDI-20 scores or regarding objectively assessed urinary incontinence or pelvic organ prolapse. In the subtotal hysterectomy group...... (443ml) (P=0.0147) according to the voiding diary. CONCLUSION: Subtotal and total abdominal hysterectomy are comparable regarding long-term objective pelvic organ prolapse and urinary incontinence. The subtotal hysterectomy group had a higher Qmax and voided volume....

  19. Local polar fluctuations in lead halide perovskites

    Science.gov (United States)

    Tan, Liang; Yaffe, Omer; Guo, Yinsheng; Brus, Louis; Rappe, Andrew; Egger, David; Kronik, Leeor

    The lead halide perovskites have recently attracted much attention because of their large and growing photovoltaic power conversion efficiencies. However, questions remain regarding the temporal and spatial correlations of the structural fluctuations, their atomistic nature, and how they affect electronic and photovoltaic properties. To address these questions, we have performed a combined ab initio molecular dynamics (MD) and density functional theory (DFT) study on CsPbBr3. We have observed prevalent anharmonic motion in our MD trajectories, with local polar fluctuations involving head-to-head motion of A-site Cs cations coupled with Br window opening. We calculate Raman spectra from the polarizability auto-correlation functions obtained from these trajectories and show that anharmonic A-site cation motion manifests as a broad central peak in the Raman spectrum, which increases in intensity with temperature. A comparison of the experimental Raman spectrum of hybrid organometallic MAPbBr3 and fully inorganic CsPbBr3 suggests that structural fluctuations in lead-halide perovskites is more general than rotation of polar organic cations and is intimately coupled to the inorganic framework.

  20. Large polarons in lead halide perovskites

    Science.gov (United States)

    Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

    2017-01-01

    Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3− frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]− sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility. PMID:28819647

  1. Determination of the total amount of organically bound chlorine, bromine and iodine in environmental samples by instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Gether, J; Lunde, G [Central Institute for Industrial Research, Oslo (Norway); Steinnes, E [Institutt for Atomenergi, Kjeller (Norway)

    1979-07-01

    The determination of chlorine, bromine and iodine present as non-polar, hydrophobic hydrocarbons in environmental samples is reported. The organohalogen compounds are seprated from water into an organic phase by on-site liquid-liquid extraction, and form biological material by procedures based on lipid phase extraction and codistillation. After removal of inorganic halides by washing with water and concentration of the sample by evaporation of the solvent, the resulting extracts are analyzed for their chlorine, bromine and iodine contents by instrumental neutron activation analysus. Strict attention is paid to the possibility of contamination in every step of the procedure. Background values in routine analysis are approximately 100-200 ng of chlorine, <5 ng of bromine and <3 ng of iodine.

  2. Development of Halide and Oxy-Halides for Isotopic Separations

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Leigh R. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Johnson, Aaron T. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Pfeiffer, Jana [Idaho National Lab. (INL), Idaho Falls, ID (United States); Finck, Martha R. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-10-01

    The goal of this project was to synthesize a volatile form of Np for introduction into mass spectrometers at INL. Volatile solids of the 5f elements are typically those of the halides (e.g. UF6), however fluorine is highly corrosive to the sensitive internal components of the mass separator, and the other volatile halides exist as several different stable isotopes in nature. However, iodide is both mono-isotopic and volatile, and as such presents an avenue for creation of a form of Np suitable for introduction into the mass separator. To accomplish this goal, the technical work in the project sought to establish a novel synthetic route for the conversion NpO2+ (dissolved in nitric acid) to NpI3 and NpI4.

  3. Why is organization theory so ignorant: The neglect of total institutions?

    NARCIS (Netherlands)

    Clegg, S.R.

    2006-01-01

    Organization theory has, on the whole, failed to adequately address the role that organizations have played in some of the crimes of humanity. The tools to do so have long been available to the discipline, in work by scholars such as Goffman on total institutions, Foucault on disciplinary

  4. Formability of ABX3 (X=F,Cl,Br,I) halide perovskites

    International Nuclear Information System (INIS)

    Li Chonghea; Lu Xionggang; Ding Weizhong; Feng Liming; Gao Yonghui; Guo Ziming

    2008-01-01

    In this study a total of 186 complex halide systems were collected; the formabilities of ABX 3 (X = F, Cl, Br and I) halide perovskites were investigated using the empirical structure map, which was constructed by Goldschmidt's tolerance factor and the octahedral factor. A model for halide perovskite formability was built up. In this model obtained, for all 186 complex halides systems, only one system (CsF-MnF 2 ) without perovskite structure and six systems (RbF-PbF 2 , CsF- BeF 2 , KCl-FeCl 2 , TlI-MnI 2 , RbI-SnI 2 , TlI-PbI 2 ) with perovskite structure were wrongly classified, so its predicting accuracy reaches 96%. It is also indicated that both the tolerance factor and the octahedral factor are a necessary but not sufficient condition for ABX 3 halide perovskite formability, and a lowest limit of the octahedral factor exists for halide perovskite formation. This result is consistent with our previous report for ABO 3 oxide perovskite, and may be helpful to design novel halide materials with the perovskite structure. (orig.)

  5. Miscellaneous Lasing Actions in Organo-Lead Halide Perovskite Films.

    Science.gov (United States)

    Duan, Zonghui; Wang, Shuai; Yi, Ningbo; Gu, Zhiyuan; Gao, Yisheng; Song, Qinghai; Xiao, Shumin

    2017-06-21

    Lasing actions in organo-lead halide perovskite films have been heavily studied in the past few years. However, due to the disordered nature of synthesized perovskite films, the lasing actions are usually understood as random lasers that are formed by multiple scattering. Herein, we demonstrate the miscellaneous lasing actions in organo-lead halide perovskite films. In addition to the random lasers, we show that a single or a few perovskite microparticles can generate laser emissions with their internal resonances instead of multiple scattering among them. We experimentally observed and numerically confirmed whispering gallery (WG)-like microlasers in polygon shaped and other deformed microparticles. Meanwhile, owing to the nature of total internal reflection and the novel shape of the nanoparticle, the size of the perovskite WG laser can be significantly decreased to a few hundred nanometers. Thus, wavelength-scale lead halide perovskite lasers were realized for the first time. All of these laser behaviors are complementary to typical random lasers in perovskite film and will help the understanding of lasing actions in complex lead halide perovskite systems.

  6. Integrated Data Fusion and Mining Techniques for Monitoring Total Organic Carbon Concentrations in a Lake

    Science.gov (United States)

    Total organic carbon (TOC) in surface waters, markedly of seasonal variations, is a known precursor of disinfection byproducts such as Total Trihalomethanes (TTHM) in drinking water treatment. Real-time knowledge of TOC distribution in source water can help treatment operation to...

  7. Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

    KAUST Repository

    Bakr, Osman M.

    2016-02-18

    The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu, and X is a halide. The method comprises the use of two reservoirs containing different precursors and allowing the vapor diffusion from one reservoir to the other one. A solar cell comprising said crystal is also disclosed.

  8. TRANSURANIC METAL HALIDES AND A PROCESS FOR THE PRODUCTION THEREOF

    Science.gov (United States)

    Fried, S.

    1951-03-20

    Halides of transuranic elements are prepared by contacting with aluminum and a halogen, or with an aluminum halide, a transuranic metal oxide, oxyhalide, halide, or mixture thereof at an elevated temperature.

  9. Copper(I) Thiocyanate (CuSCN) Hole-Transport Layers Processed from Aqueous Precursor Solutions and Their Application in Thin-Film Transistors and Highly Efficient Organic and Organometal Halide Perovskite Solar Cells

    KAUST Repository

    Wijeyasinghe, Nilushi

    2017-07-28

    This study reports the development of copper(I) thiocyanate (CuSCN) hole-transport layers (HTLs) processed from aqueous ammonia as a novel alternative to conventional n-alkyl sulfide solvents. Wide bandgap (3.4–3.9 eV) and ultrathin (3–5 nm) layers of CuSCN are formed when the aqueous CuSCN–ammine complex solution is spin-cast in air and annealed at 100 °C. X-ray photoelectron spectroscopy confirms the high compositional purity of the formed CuSCN layers, while the high-resolution valence band spectra agree with first-principles calculations. Study of the hole-transport properties using field-effect transistor measurements reveals that the aqueous-processed CuSCN layers exhibit a fivefold higher hole mobility than films processed from diethyl sulfide solutions with the maximum values approaching 0.1 cm2 V−1 s−1. A further interesting characteristic is the low surface roughness of the resulting CuSCN layers, which in the case of solar cells helps to planarize the indium tin oxide anode. Organic bulk heterojunction and planar organometal halide perovskite solar cells based on aqueous-processed CuSCN HTLs yield power conversion efficiency of 10.7% and 17.5%, respectively. Importantly, aqueous-processed CuSCN-based cells consistently outperform devices based on poly(3,4-ethylenedioxythiophene) polystyrene sulfonate HTLs. This is the first report on CuSCN films and devices processed via an aqueous-based synthetic route that is compatible with high-throughput manufacturing and paves the way for further developments.

  10. Local Polar Fluctuations in Lead Halide Perovskite Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.; Egger, David A.; Hull, Trevor; Stoumpos, Constantinos C.; Zheng, Fan; Heinz, Tony F.; Kronik, Leeor; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Rappe, Andrew M.; Pimenta, Marcos A.; Brus, Louis E.

    2017-03-01

    Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine low-frequency Raman scattering with first-principles molecular dynamics (MD) to study the fundamental nature of these local polar fluctuations. Our observations of a strong central peak in the cubic phase of both hybrid (CH3NH3PbBr3) and all-inorganic (CsPbBr3) leadhalide perovskites show that anharmonic, local polar fluctuations are intrinsic to the general lead-halide perovskite structure, and not unique to the dipolar organic cation. MD simulations indicate that head-tohead Cs motion coupled to Br face expansion, occurring on a few hundred femtosecond time scale, drives the local polar fluctuations in CsPbBr3.

  11. Analytical Chemistry Laboratory (ACL) procedure compendium. Volume 4, Organic methods

    Energy Technology Data Exchange (ETDEWEB)

    1993-08-01

    This interim notice covers the following: extractable organic halides in solids, total organic halides, analysis by gas chromatography/Fourier transform-infrared spectroscopy, hexadecane extracts for volatile organic compounds, GC/MS analysis of VOCs, GC/MS analysis of methanol extracts of cryogenic vapor samples, screening of semivolatile organic extracts, GPC cleanup for semivolatiles, sample preparation for GC/MS for semi-VOCs, analysis for pesticides/PCBs by GC with electron capture detection, sample preparation for pesticides/PCBs in water and soil sediment, report preparation, Florisil column cleanup for pesticide/PCBs, silica gel and acid-base partition cleanup of samples for semi-VOCs, concentrate acid wash cleanup, carbon determination in solids using Coulometrics` CO{sub 2} coulometer, determination of total carbon/total organic carbon/total inorganic carbon in radioactive liquids/soils/sludges by hot persulfate method, analysis of solids for carbonates using Coulometrics` Model 5011 coulometer, and soxhlet extraction.

  12. Br2 production from the heterogeneous reaction of gas-phase OH with aqueous salt solutions: Impacts of acidity, halide concentration, and organic surfactants.

    Science.gov (United States)

    Frinak, Elizabeth K; Abbatt, Jonathan P D

    2006-09-07

    This study reports the first laboratory measurement of gas-phase Br2 production from the reaction between gas-phase hydroxyl radicals and aqueous salt solutions. Experiments were conducted at 269 K in a rotating wetted-wall flow tube coupled to a chemical-ionization mass spectrometer for analysis of gas-phase components. From both pure NaBr solutions and mixed NaCl/NaBr solutions, the amount of Br2 released was found to increase with increasing acidity, whereas it was found to vary little with increasing concentration of bromide ions in the sample. For mixed NaCl/NaBr solutions, Br2 was formed preferentially over Cl2 unless the Br- levels in the solution were significantly depleted by OH oxidation, at which point Cl2 formation was observed. Presence of a surfactant in solution, sodium dodecyl sulfate, significantly suppressed the formation of Br2; this is the first indication that an organic surfactant can affect the rate of interfacial mass transfer of OH to an aqueous surface. The OH-mediated oxidation of bromide may serve as a source of active bromine in the troposphere and contribute to the subsequent destruction of ozone that proceeds in marine-influenced regions of the troposphere.

  13. Echoes of the Vision: When the Rest of the Organization Talks Total Quality.

    Science.gov (United States)

    Fairhurst, Gail T.

    1993-01-01

    Describes a case study of an organization that recently began implementing W. E. Deming's Total Quality (TQ). Finds and discusses five framing devices used in routine work conversations between leaders and members to implement the TQ vision: communicated predicaments, possible futures, jargon and vision themes, positive spin, and agenda setting.…

  14. Total mercury, organic mercury and selenium in liver and kidney of a South American coastal dolphin

    International Nuclear Information System (INIS)

    Seixas, Tercia G.; Kehrig, Helena do A.; Costa, Monica; Fillmann, Gilberto; Di Beneditto, Ana Paula M.; Secchi, Eduardo R.; Souza, Cristina M.M.; Malm, Olaf; Moreira, Isabel

    2008-01-01

    Selenium and total and organic mercury were determined in the liver and kidney of franciscana dolphin (Pontoporia blainvillei) incidentally caught in fishing nets along two Brazilian coastal areas (southeast and south). Regional differences in the concentrations of these contaminants were observed in P. blainvillei. Liver showed the highest organic and total mercury. In general, samples of individuals collected at the southern of Brazil had the highest concentrations of selenium and total and organic mercury. No significant gender differences were observed. Growth stage influenced the accumulation of these contaminants in both organs, and hepatic concentrations increased with the body length, according to the sampling area. Molar mercury and selenium concentrations in liver were significantly correlated, with a Se:Hg ratio close to 4. The among-site differences we found may be related to differences in preferred prey, bioavailability in the marine environment, environmental conditions, or these individuals may belong to distinct populations. - This study presents some useful data on the bioaccumulation of Hg, organic Hg and Se, and their inter-element relationships in a Brazilian small cetacean

  15. Total mercury, organic mercury and selenium in liver and kidney of a South American coastal dolphin

    Energy Technology Data Exchange (ETDEWEB)

    Seixas, Tercia G. [Departamento de Quimica, PUC-Rio, 22453-900 Rio de Janeiro, RJ (Brazil); Laboratorio de Radioisotopos Eduardo Penna Franca, IBCCF-UFRJ, 21949-900 Rio de Janeiro, RJ (Brazil)], E-mail: tercia@rdc.puc-rio.br; Kehrig, Helena do A. [Laboratorio de Radioisotopos Eduardo Penna Franca, IBCCF-UFRJ, 21949-900 Rio de Janeiro, RJ (Brazil); Costa, Monica [Departamento de Oceanografia, CTG-UFPE, 50740-550 Recife, PE (Brazil); Fillmann, Gilberto [Departamento de Oceanografia, FURG, C.P. 474, 96201-900 Rio Grande, RS (Brazil); Di Beneditto, Ana Paula M. [Laboratorio de Ciencias Ambientais, CBB-UENF, 28013-602 Campos dos Goytacazes, RJ (Brazil); Secchi, Eduardo R. [Departamento de Oceanografia, FURG, C.P. 474, 96201-900 Rio Grande, RS (Brazil); Laboratorio de Tartarugas e Mamiferos Marinhos, Departamento de Oceanografia e Museu Oceanografico ' Prof. E.C. Rios' , FURG, 96201-900 Rio Grande, RS (Brazil); Souza, Cristina M.M. [Laboratorio de Ciencias Ambientais, CBB-UENF, 28013-602 Campos dos Goytacazes, RJ (Brazil); Malm, Olaf [Laboratorio de Radioisotopos Eduardo Penna Franca, IBCCF-UFRJ, 21949-900 Rio de Janeiro, RJ (Brazil); Moreira, Isabel [Departamento de Quimica, PUC-Rio, 22453-900 Rio de Janeiro, RJ (Brazil)

    2008-07-15

    Selenium and total and organic mercury were determined in the liver and kidney of franciscana dolphin (Pontoporia blainvillei) incidentally caught in fishing nets along two Brazilian coastal areas (southeast and south). Regional differences in the concentrations of these contaminants were observed in P. blainvillei. Liver showed the highest organic and total mercury. In general, samples of individuals collected at the southern of Brazil had the highest concentrations of selenium and total and organic mercury. No significant gender differences were observed. Growth stage influenced the accumulation of these contaminants in both organs, and hepatic concentrations increased with the body length, according to the sampling area. Molar mercury and selenium concentrations in liver were significantly correlated, with a Se:Hg ratio close to 4. The among-site differences we found may be related to differences in preferred prey, bioavailability in the marine environment, environmental conditions, or these individuals may belong to distinct populations. - This study presents some useful data on the bioaccumulation of Hg, organic Hg and Se, and their inter-element relationships in a Brazilian small cetacean.

  16. Double Charged Surface Layers in Lead Halide Perovskite Crystals

    KAUST Repository

    Sarmah, Smritakshi P.

    2017-02-01

    Understanding defect chemistry, particularly ion migration, and its significant effect on the surface’s optical and electronic properties is one of the major challenges impeding the development of hybrid perovskite-based devices. Here, using both experimental and theoretical approaches, we demonstrated that the surface layers of the perovskite crystals may acquire a high concentration of positively charged vacancies with the complementary negatively charged halide ions pushed to the surface. This charge separation near the surface generates an electric field that can induce an increase of optical band gap in the surface layers relative to the bulk. We found that the charge separation, electric field, and the amplitude of shift in the bandgap strongly depend on the halides and organic moieties of perovskite crystals. Our findings reveal the peculiarity of surface effects that are currently limiting the applications of perovskite crystals and more importantly explain their origins, thus enabling viable surface passivation strategies to remediate them.

  17. Solution-Phase Synthesis of Cesium Lead Halide Perovskite Nanowires.

    Science.gov (United States)

    Zhang, Dandan; Eaton, Samuel W; Yu, Yi; Dou, Letian; Yang, Peidong

    2015-07-29

    Halide perovskites have attracted much attention over the past 5 years as a promising class of materials for optoelectronic applications. However, compared to hybrid organic-inorganic perovskites, the study of their pure inorganic counterparts, like cesium lead halides (CsPbX3), lags far behind. Here, a catalyst-free, solution-phase synthesis of CsPbX3 nanowires (NWs) is reported. These NWs are single-crystalline, with uniform growth direction, and crystallize in the orthorhombic phase. Both CsPbBr3 and CsPbI3 are photoluminescence active, with composition-dependent temperature and self-trapping behavior. These NWs with a well-defined morphology could serve as an ideal platform for the investigation of fundamental properties and the development of future applications in nanoscale optoelectronic devices based on all-inorganic perovskites.

  18. Total expenditures per patient in hospital-owned and physician-owned physician organizations in California.

    Science.gov (United States)

    Robinson, James C; Miller, Kelly

    Hospitals are rapidly acquiring medical groups and physician practices. This consolidation may foster cooperation and thereby reduce expenditures, but also may lead to higher expenditures through greater use of hospital-based ambulatory services and through greater hospital pricing leverage against health insurers. To determine whether total expenditures per patient were higher in physician organizations (integrated medical groups and independent practice associations) owned by local hospitals or multihospital systems compared with groups owned by participating physicians. Data were obtained on total expenditures for the care provided to 4.5 million patients treated by integrated medical groups and independent practice associations in California between 2009 and 2012. The patients were covered by commercial health maintenance organization (HMO) insurance and the data did not include patients covered by commercial preferred provider organization (PPO) insurance, Medicare, or Medicaid. Total expenditures per patient annually, measured in terms of what insurers paid to the physician organizations for professional services, to hospitals for inpatient and outpatient procedures, to clinical laboratories for diagnostic tests, and to pharmaceutical manufacturers for drugs and biologics. Annual expenditures per patient were compared after adjusting for patient illness burden, geographic input costs, and organizational characteristics. Of the 158 organizations, 118 physician organizations (75%) were physician-owned and provided care for 3,065,551 patients, 19 organizations (12%) were owned by local hospitals and provided care for 728,608 patients, and 21 organizations (13%) were owned by multihospital systems and provided care for 693,254 patients. In 2012, physician-owned physician organizations had mean expenditures of $3066 per patient (95% CI, $2892 to $3240), hospital-owned physician organizations had mean expenditures of $4312 per patient (95% CI, $3768 to $4857), and

  19. Side-by-side comparison of techniques for analyzing organic acids, total organic carbon, and anions. Final report

    International Nuclear Information System (INIS)

    Byers, W.A.; Richards, J.; Silva, H.; Miller, M.R.; Palino, G.F.; Wall, P.S.

    1986-09-01

    The objective of this project was to compare the organic acids sampling and analysis methods of Westinghouse and NWT Corporation. Sampling was performed at three sites, chosen to represent units with high, intermediate and low levels of organic contamination. To check the precision of each method, concurrent sampling was employed. To check the accuracy of each method, additions of standard organic solutions were made at one of the sites. Inorganic anions were also analyzed at each site by each contractor. Theoretical values of cation conductivity were calculated from organic and inorganic analytical data and compared to values measured onsite at the time of sampling. Total organic carbon (TOC) analyses were performed to evaluate different instruments and sampling techniques, as well as provide additional information on the relationship between TOC and organic acids concentrations. It was concluded that either of the organic acid sampling/analysis techniques used by the contractors can produce reliable results. TOC samples lose organics content with storage time and should be analyzed no later than one week after they are taken; if at all possible, they should be stored in a refrigerated condition. State-of-the art techniques for TOC sampling and analysis can produce results varying by 20 to 50 ppB for levels in the range of 50 to 120 ppB; any proposed limits for TOC should be reviewed in that light. Results of anion analyses are quite sensitive to sampling and analytical techniques. Reasonable agreement between calculated and measured values of cation conductivity suggests that both contractors had accurately determined all major anionic species

  20. Evaluation of trace organic contaminants in ultra-pure water production processes by measuring total organic halogen formation potential

    International Nuclear Information System (INIS)

    Urano, Kohei; Iwase, Yoko

    1984-01-01

    A new procedure for the determination of organic substances in water with high accuracy and high sensitivity was proposed, in which a hypochlorite is added to water, and the resultant total amount of organic halogen compounds (TOX formation potential) was measured, and it was applied to the evaluation of trace organic contaminants in ultra-pure water production process. In this investigation, the TOX formation potential of the raw water which was to be used for the ultra-pure water production process, intermediately treated water and ultra-pure water was measured to clarify the behavior of organic substances in the ultra-pure water production process and to demonstrate the usefulness of this procedure to evaluate trace organic contaminants in water. The measurement of TOX formation potential requires no specific technical skill, and only a short time, and gives accurate results, therefore, it is expected that the water quality control in the ultra-pure water production process can be performed more exactly by applying this procedure. (Yoshitake, I.)

  1. Structure of polyvalent metal halide melts

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1990-12-01

    A short review is given of recent progress in determining and understanding the structure of molten halide salts involving polyvalent metal ions. It covers the following three main topics: (i) melting mechanisms and types of liquid structure for pure polyvalent-metal chlorides; (ii) geometry and stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides; and (iii) structure breaking and electron localization on addition of metal to the melt. (author). 28 refs, 3 figs, 1 tab

  2. Symptoms of mothers and infants related to total volatile organic compounds in household products

    OpenAIRE

    Farrow, A; Taylor, H; Northstone, K; Golding, J

    2003-01-01

    The authors sought to determine whether reported symptoms of mothers and infants were associated significantly with the use of household products that raised indoor levels of total volatile organic compounds (TVOCs). Data collected from 170 homes within the Avon Longitudinal Study of Parents and Children (ALSPAC: a large birth cohort of more than 10,000) had determined which household products were associated with the highest levels of TVOCs. The latter data were collected over a period that ...

  3. Abiotic Formation of Methyl Halides in the Terrestrial Environment

    Science.gov (United States)

    Keppler, F.

    2011-12-01

    Methyl chloride and methyl bromide are the most abundant chlorine and bromine containing organic compounds in the atmosphere. Since both compounds have relatively long tropospheric lifetimes they can effectively transport halogen atoms from the Earth's surface, where they are released, to the stratosphere and following photolytic oxidation form reactive halogen gases that lead to the chemical destruction of ozone. Methyl chloride and methyl bromide account for more than 20% of the ozone-depleting halogens delivered to the stratosphere and are predicted to grow in importance as the chlorine contribution to the stratosphere from anthropogenic CFCs decline. Today methyl chloride and methyl bromide originate mainly from natural sources with only a minor fraction considered to be of anthropogenic origin. However, until as recently as 2000 most of the methyl chloride and methyl bromide input to the atmosphere was considered to originate from the oceans, but investigations in recent years have clearly demonstrated that terrestrial sources such as biomass burning, wood-rotting fungi, coastal salt marshes, tropical vegetation and organic matter degradation must dominate the atmospheric budgets of these trace gases. However, many uncertainties still exist regarding strengths of both sources and sinks, as well as the mechanisms of formation of these naturally occurring halogenated gases. A better understanding of the atmospheric budget of both methyl chloride and methyl bromide is therefore required for reliable prediction of future ozone depletion. Biotic and abiotic methylation processes of chloride and bromide ion are considered to be the dominant pathways of formation of these methyl halides in nature. In this presentation I will focus on abiotic formation processes in the terrestrial environment and the potential parameters that control their emissions. Recent advances in our understanding of the abiotic formation pathway of methyl halides will be discussed. This will

  4. Total Quality Management – A Way to Manage Organizations Centred on Quality

    Directory of Open Access Journals (Sweden)

    Vasile Dinu

    2017-11-01

    Full Text Available Following the consolidation and maturation of quality management, the evolution of this concept has demonstrated that its most advanced form has become Total Quality Management (TQM. Total Quality Management is a way of leading quality-centred organizations, as this is the main driving force that can direct the organization on the way to excellence in business. At the same time, it is based on the participation of all members, pursuing the efficiency of the long-term activity, leading to the effective satisfaction of the client, as well as to the benefits for all members of organization and for society. Total Quality Management is an approach that aims to continuously improve quality and performance to meet or exceed customer expectations. This can be accomplished by integrating all the functions and performance-related processes in a company. TQM targets all the quality improvement measures used by a company, including quality design and development, control, management, continuous improvement and quality assurance. In other words, TQM considers all quality measures at all levels and compartments that involve all employees in order to obtain long-term benefits

  5. Total observed organic carbon (TOOC in the atmosphere: a synthesis of North American observations

    Directory of Open Access Journals (Sweden)

    C. L. Heald

    2008-04-01

    Full Text Available Measurements of organic carbon compounds in both the gas and particle phases made upwind, over and downwind of North America are synthesized to examine the total observed organic carbon (TOOC in the atmosphere over this region. These include measurements made aboard the NOAA WP-3 and BAe-146 aircraft, the NOAA research vessel Ronald H. Brown, and at the Thompson Farm and Chebogue Point surface sites during the summer 2004 ICARTT campaign. Both winter and summer 2002 measurements during the Pittsburgh Air Quality Study are also included. Lastly, the spring 2002 observations at Trinidad Head, CA, surface measurements made in March 2006 in Mexico City and coincidentally aboard the C-130 aircraft during the MILAGRO campaign and later during the IMPEX campaign off the northwestern United States are incorporated. Concentrations of TOOC in these datasets span more than two orders of magnitude. The daytime mean TOOC ranges from 4.0 to 456 μgC m−3 from the cleanest site (Trinidad Head to the most polluted (Mexico City. Organic aerosol makes up 3–17% of this mean TOOC, with highest fractions reported over the northeastern United States, where organic aerosol can comprise up to 50% of TOOC. Carbon monoxide concentrations explain 46 to 86% of the variability in TOOC, with highest TOOC/CO slopes in regions with fresh anthropogenic influence, where we also expect the highest degree of mass closure for TOOC. Correlation with isoprene, formaldehyde, methyl vinyl ketone and methacrolein also indicates that biogenic activity contributes substantially to the variability of TOOC, yet these tracers of biogenic oxidation sources do not explain the variability in organic aerosol observed over North America. We highlight the critical need to develop measurement techniques to routinely detect total gas phase VOCs, and to deploy comprehensive suites of TOOC instruments in diverse environments to quantify the ambient evolution of organic carbon from source

  6. Chemical attributes, total organic carbon stock and humified fractions of organic matter soil submitted to different systems of sugarcane management

    Directory of Open Access Journals (Sweden)

    Jean Sérgio Rosset

    2014-10-01

    Full Text Available Mechanized harvesting maintenance of trash from cane sugar and soil application of waste as vinasse and filter cake can improve the system of crop yield. Thus, this study aimed to evaluate the changes in the chemical, the stock of total organic carbon and humified organic matter fractions in an Oxisol cultivated with cane sugar with the following management systems: with sugarcane vinasse application (CCV, without application of burnt cane waste (CQS, with burnt cane vinasse application (CQV, with application of burnt cane filter cake (CQTF and burnt cane with joint application of vinasse and filter cake (CQVTF. For reference we used an area of natural vegetation (NV, Cerrado sensu stricto. Treatment CQVTF showed improvement in soil chemical properties, increased inventory levels of total organic carbon – TOC (values ranging from 21.28 to 40.02 Mg ha-1 and humified fractions of soil organic matter in relation to other treatments. The CQS area at a depth of 0-0.05 m, showed the greatest losses of soil TOC stocks (56.3% compared to NV. The adoption of management presented CCV and chemical attributes of the soil TOC stocks equivalent to those observed in areas with CQV CQTF and despite the short period of adoption (3 years. The TOC correlated with the sum of bases (r = 0.76 **, cation exchange capacity (r = 0.59 ** and base saturation (r = 0.63 **, while the humic acids (r = 0.40 ** fulvic acids (r = 0.49 ** and humin (r = 0.59 ** correlated with the cation exchange capacity of the soil. These results indicate that the preservation of trash in the management of cane sugar added to the application of vinasse and filter cake increases the TOC stocks promoting improvement in soil chemical properties.

  7. Observation of vapor pressure enhancement of rare-earth metal-halide salts in the temperature range relevant to metal-halide lamps

    Energy Technology Data Exchange (ETDEWEB)

    Curry, J. J.; Henins, A.; Hardis, J. E. [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Estupinan, E. G. [Osram Sylvania Inc., Beverly, Massachusetts 01915 (United States); Lapatovich, W. P. [Independent Consultant, 51 Pye Brook Lane, Boxford, Massachusetts 01921 (United States); Shastri, S. D. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2012-02-20

    Total vapor-phase densities of Dy in equilibrium with a DyI{sub 3}/InI condensate and Tm in equilibrium with a TmI{sub 3}/TlI condensate have been measured for temperatures between 900 K and 1400 K. The measurements show strong enhancements in rare-earth vapor densities compared to vapors in equilibrium with the pure rare-earth metal-halides. The measurements were made with x-ray induced fluorescence on the sector 1-ID beam line at the Advanced Photon Source. The temperature range and salt mixtures are relevant to the operation of metal-halide high-intensity discharge lamps.

  8. Fullerenes doped with metal halides

    International Nuclear Information System (INIS)

    Martin, T.P.; Heinebrodt, M.; Naeher, U.; Goehlich, H.; Lange, T.; Schaber, H.

    1993-01-01

    The cage-like structure of fullerenes is a challenge to every experimental to put something inside - to dope the fullerenes. In fact, the research team that first identified C 60 as a football-like molecule quickly succeeded in trapping metal atoms inside and in shrinking the cage around this atom by photofragmentation. In this paper we report the results of ''shrink-wrapping'' the fullerenes around metal halide molecules. Of special interest is the critical size (the minimum number of carbon atoms) that can still enclose the dopant. A rough model for the space available inside a carbon cage gives good agreement with the measured shrinking limits. (author). 8 refs, 6 figs

  9. Evaluation of robustness in the validation of total organic carbon (TOC) methodology

    International Nuclear Information System (INIS)

    Benedetti, Stella; Monteiro, Elisiane G.; Almeida, Erika V.; Oliveira, Ideli M.; Cerqueira Filho, Ademar C.; Mengatti, Jair; Fukumori, Neuza T.O.; Matsuda, Margareth M.N.

    2009-01-01

    Water is used in many steps of production and quality control as raw material for reagent preparation or dilution of solutions and for cleaning apparatus and room areas in the pharmaceutical industry, including radiopharmaceutical plants. Regulatory requirements establish specifications of purified water for different purposes. The quality of water is essential to guarantee the safe utilization of radiopharmaceuticals. A variety of methods and systems can be used to produce purified water and water for injection and all of them must fulfill the requirements for their specific use, which include TOC (total organic carbon) analysis, an indirect measurement of organic molecules present in water. The principle of TOC method is the oxidation of organic molecules to carbon dioxide, related to the carbon concentration. The aim of this study was to evaluate the parameters of robustness in TOC method in water used in the production and quality control procedures in the Radiopharmacy Directory (DIRF), according to Resolution 899 from ANVISA (National Sanitary Agency). Purified water were obtained from Milli-RX45 system. TOC standard solutions in the range of 100-1000 ppb were prepared with potassium hydrogen phthalate anhydride, transferred to vials and sequentially analyzed by a catalytic photo-oxidation reaction with a TOC model Vwp equipment from Shimadzu Corporation (Japan). The evaluated parameters were: oxidizing volume from 0.5 to 2.5 mL, acidifying volume from 1 to 5%, integration time for TC (total carbon) and IC (inorganic carbon) curves from 2 to 10 minutes. (author)

  10. Leaching behavior of total organic carbon, nitrogen, and phosphorus from banana peel.

    Science.gov (United States)

    Jiang, Ruixue; Sun, Shujuan; Xu, Yan; Qiu, Xiudong; Yang, Jili; Li, Xiaochen

    2015-01-01

    The leaching behavior of organic carbon and nutrient compounds from banana peel (BP) was investigated in batch assays with respect to particle size, contact time, pH value, and temperature. The granularity, contact time, pH, and temperature caused no significant effects on the leaching of total phosphorus (TP) from the BP. The maximum leached total nitrogen (TN) content was found at pH 5.0 and 90 minutes, while no significant effects were caused by the granularity and temperature. The maximum leached total organic carbon (TOC) content was found by using a powder of 40 mesh, 150 minutes and at pH 6.0, while the temperature had no effect on the TOC leaching. The proportions of the TN, TP, and TOC contents leached from the dried BP ranged from 33.6% to 40.9%, 60.4% to 72.7%, and 8.2% to 9.9%, respectively, indicating that BP could be a potential pollution source for surface and ground water if discharged as domestic waste or reutilized without pretreatment.

  11. Online total organic carbon (TOC) monitoring for water and wastewater treatment plants processes and operations optimization

    Science.gov (United States)

    Assmann, Céline; Scott, Amanda; Biller, Dondra

    2017-08-01

    Organic measurements, such as biological oxygen demand (BOD) and chemical oxygen demand (COD) were developed decades ago in order to measure organics in water. Today, these time-consuming measurements are still used as parameters to check the water treatment quality; however, the time required to generate a result, ranging from hours to days, does not allow COD or BOD to be useful process control parameters - see (1) Standard Method 5210 B; 5-day BOD Test, 1997, and (2) ASTM D1252; COD Test, 2012. Online organic carbon monitoring allows for effective process control because results are generated every few minutes. Though it does not replace BOD or COD measurements still required for compliance reporting, it allows for smart, data-driven and rapid decision-making to improve process control and optimization or meet compliances. Thanks to the smart interpretation of generated data and the capability to now take real-time actions, municipal drinking water and wastewater treatment facility operators can positively impact their OPEX (operational expenditure) efficiencies and their capabilities to meet regulatory requirements. This paper describes how three municipal wastewater and drinking water plants gained process insights, and determined optimization opportunities thanks to the implementation of online total organic carbon (TOC) monitoring.

  12. Applications of Total Scattering & Pair Distribution Function Analysis in Metal-Organic Framework Materials

    DEFF Research Database (Denmark)

    Xu, Hui; Birgisson, Steinar; Sommer, Sanna

    structure. At the same time, there is an ongoing debate on whether the SBU is present prior, or during MOF crystallization in MOF chemistry. However, little is known about MOFs formation mechanism. Currently techniques to study the in situ MOF formation process mainly focused on after......-crystallization process, for example in situ XRD and SAXS/WAXS study on MOF formation. However, the pre-crystallization process in the early stage of MOF formation is still unexplored. In this project, total scattering and PDF study will be carried out to explore the MOF formation process in early stage. This includes......Metal-Organic Frameworks (MOFs) is constructed by metal-oxide nodes and organic ligands. The formation of different structures of metal-oxide nodes (also called secondary building units, SBU) is crucial for MOF final structures, because the connectivity of SBU greatly influence the final MOF...

  13. Effect of TOC [total organic carbon] on a PWR secondary cooling water system

    International Nuclear Information System (INIS)

    Gau, J.Y.; Oung, J.C.; Wang, T.Y.

    1989-01-01

    Increasing the amount of total organic carbon (TOC) during the wet layup of the steam generator was a problem in PWR nuclear power plant in Taiwan. The results of surveys of TOC in PWR secondary cooling water systems had shown that the impurity of hydrazine and the bacteria were the main reasons that increase TOC. These do not have a corrosion effect on Inconel 600 and carbon steel when the secondary cooling water containing the TOC is below 200 ppb. But the anaerobic bacteria from the steam generator in wet layup will increase corrosion rate of carbon steel and crevice corrosion of Inconel 600. (author)

  14. Maximum total organic carbon limits at different DWPF melter feed maters (U)

    International Nuclear Information System (INIS)

    Choi, A.S.

    1996-01-01

    The document presents information on the maximum total organic carbon (TOC) limits that are allowable in the DWPF melter feed without forming a potentially flammable vapor in the off-gas system were determined at feed rates varying from 0.7 to 1.5 GPM. At the maximum TOC levels predicted, the peak concentration of combustible gases in the quenched off-gas will not exceed 60 percent of the lower flammable limit during a 3X off-gas surge, provided that the indicated melter vapor space temperature and the total air supply to the melter are maintained. All the necessary calculations for this study were made using the 4-stage cold cap model and the melter off-gas dynamics model. A high-degree of conservatism was included in the calculational bases and assumptions. As a result, the proposed correlations are believed to by conservative enough to be used for the melter off-gas flammability control purposes

  15. Methods for producing single crystal mixed halide perovskites

    Science.gov (United States)

    Zhu, Kai; Zhao, Yixin

    2017-07-11

    An aspect of the present invention is a method that includes contacting a metal halide and a first alkylammonium halide in a solvent to form a solution and maintaining the solution at a first temperature, resulting in the formation of at least one alkylammonium halide perovskite crystal, where the metal halide includes a first halogen and a metal, the first alkylammonium halide includes the first halogen, the at least one alkylammonium halide perovskite crystal includes the metal and the first halogen, and the first temperature is above about 21.degree. C.

  16. Side-by-side comparison of analytical techniques; organic acids, total organic carbon, and anions in PWR secondary cycles

    International Nuclear Information System (INIS)

    Hobart, S.A.; Byers, W.A.; Miller, M.R.; Richards, J.; Silva, H.; Palino, G.F.; Wall, P.S.

    1986-01-01

    Total Organic Carbon TOC samples should be analyzed no later than one week after they are taken and they should be stored in a refrigerated condition, if at all possible. It can be inferred that for TOC levels in the range of 50 to 120 ppb, state-of-the-art sampling and analysis techniques can produce results varying by 20 to 50 ppb. Any proposed limits for TOC should be reviewed in that light. Agreement between anion results appeared to improve over the course of the project. Both contractors agree that increased attention and care with sampling and analytical techniques probably accounted for this improvement. Utility personnel can therefore conclude that proper employee training, supervision, and motivation for proper sampling and analysis are critical if accurate anion results are to be obtained. Resonable agreement between calculated and measured values of cation conductivity suggest that both contractors had accurately determined all major anionic species

  17. Nitrate radical oxidation of γ-terpinene: hydroxy nitrate, total organic nitrate, and secondary organic aerosol yields

    Science.gov (United States)

    Slade, Jonathan H.; de Perre, Chloé; Lee, Linda; Shepson, Paul B.

    2017-07-01

    Polyolefinic monoterpenes represent a potentially important but understudied source of organic nitrates (ONs) and secondary organic aerosol (SOA) following oxidation due to their high reactivity and propensity for multi-stage chemistry. Recent modeling work suggests that the oxidation of polyolefinic γ-terpinene can be the dominant source of nighttime ON in a mixed forest environment. However, the ON yields, aerosol partitioning behavior, and SOA yields from γ-terpinene oxidation by the nitrate radical (NO3), an important nighttime oxidant, have not been determined experimentally. In this work, we present a comprehensive experimental investigation of the total (gas + particle) ON, hydroxy nitrate, and SOA yields following γ-terpinene oxidation by NO3. Under dry conditions, the hydroxy nitrate yield = 4(+1/-3) %, total ON yield = 14(+3/-2) %, and SOA yield ≤ 10 % under atmospherically relevant particle mass loadings, similar to those for α-pinene + NO3. Using a chemical box model, we show that the measured concentrations of NO2 and γ-terpinene hydroxy nitrates can be reliably simulated from α-pinene + NO3 chemistry. This suggests that NO3 addition to either of the two internal double bonds of γ-terpinene primarily decomposes forming a relatively volatile keto-aldehyde, reconciling the small SOA yield observed here and for other internal olefinic terpenes. Based on aerosol partitioning analysis and identification of speciated particle-phase ON applying high-resolution liquid chromatography-mass spectrometry, we estimate that a significant fraction of the particle-phase ON has the hydroxy nitrate moiety. This work greatly contributes to our understanding of ON and SOA formation from polyolefin monoterpene oxidation, which could be important in the northern continental US and the Midwest, where polyolefinic monoterpene emissions are greatest.

  18. Total organic carbon removal from a chemical lab’s wastewater using Fenton’s reagent

    Directory of Open Access Journals (Sweden)

    Oscar Mauricio Martínez Ávila

    2013-05-01

    Full Text Available Treating industrial wastewater represents a serious problem nowadays; it requires a strong understanding of the particular systems and (in most of cases ad hoc solutions. This work describes the use of Fenton’s reagent (reaction between H2O2 and Fe(II for removing total organic carbon (TOC from a particular chemical laboratory’s lab-scale batch reactor wastewater. Some operating variables (hydrogen peroxide and ferrous ion concentration, temperature and pH were evaluated regarding final TOC removal. An economic optimisation was made by means of a second order polynomial model representing these variables’ behaviour regarding TOC removal (0.94 R2. The highest experimentally reached TOC removal was 88.8% at 50 mg/L [Fe(II]0, 50 mM [H2O2]0 , pH=2.8 at 80oC, while 53.9% was obtained in optimised conditions, i.e. 36 mg/L [Fe(II]0 , 45.5 mM [H2O2]0 , pH=2.6 at 20°C. It was found that the Fenton process could achieve 41% removal, even in adverse conditions (pH close to 6. It was noted from the analysis that both H2O2 concentration and temperature had a powerful effect on organic matter degradation efficiency, as well as on total treatment cost.

  19. Factors Effecting the Total Volatile Organic Compound (TVOC Concentrations in Slovak Households

    Directory of Open Access Journals (Sweden)

    Ľudmila Mečiarová

    2017-11-01

    Full Text Available Thirty five Slovak households were selected for an investigation of indoor environmental quality. Measuring of indoor air physical and chemical factors and a questionnaire survey was performed during May 2017. The range of permissible operative temperature was not met in 11% of objects. Relative humidity met the legislative requirements in all monitored homes. Concentrations of total volatile organic compounds (TVOCs were significantly higher in the apartments than in the family houses. The average TVOC levels in the apartments and family houses were 519.7 µg/m3 and 330.2 µg/m3, respectively. Statistical analysis confirmed the effect of indoor air temperature, relative humidity and particulate matter (PM0.5 and PM1 on the levels of TVOCs. Higher TVOC levels were observed also in homes where it is not a common practice to open windows during cleaning activities. Other factors that had a statistically significant effect on concentrations of volatile organic compounds were heating type, attached garage, location of the apartment within residential building (the floor, as well as number of occupants. Higher TVOC concentrations were observed in indoor than outdoor environment, while further analysis showed the significant impact of indoor emission sources on the level of these compounds in buildings. The questionnaire study showed a discrepancy between objective measurement and subjective assessment in the household environment, and pointed to insufficient public awareness about volatile organic compounds (VOCs.

  20. Thermochromic halide perovskite solar cells

    Science.gov (United States)

    Lin, Jia; Lai, Minliang; Dou, Letian; Kley, Christopher S.; Chen, Hong; Peng, Fei; Sun, Junliang; Lu, Dylan; Hawks, Steven A.; Xie, Chenlu; Cui, Fan; Alivisatos, A. Paul; Limmer, David T.; Yang, Peidong

    2018-03-01

    Smart photovoltaic windows represent a promising green technology featuring tunable transparency and electrical power generation under external stimuli to control the light transmission and manage the solar energy. Here, we demonstrate a thermochromic solar cell for smart photovoltaic window applications utilizing the structural phase transitions in inorganic halide perovskite caesium lead iodide/bromide. The solar cells undergo thermally-driven, moisture-mediated reversible transitions between a transparent non-perovskite phase (81.7% visible transparency) with low power output and a deeply coloured perovskite phase (35.4% visible transparency) with high power output. The inorganic perovskites exhibit tunable colours and transparencies, a peak device efficiency above 7%, and a phase transition temperature as low as 105 °C. We demonstrate excellent device stability over repeated phase transition cycles without colour fade or performance degradation. The photovoltaic windows showing both photoactivity and thermochromic features represent key stepping-stones for integration with buildings, automobiles, information displays, and potentially many other technologies.

  1. Thermochromic halide perovskite solar cells.

    Science.gov (United States)

    Lin, Jia; Lai, Minliang; Dou, Letian; Kley, Christopher S; Chen, Hong; Peng, Fei; Sun, Junliang; Lu, Dylan; Hawks, Steven A; Xie, Chenlu; Cui, Fan; Alivisatos, A Paul; Limmer, David T; Yang, Peidong

    2018-03-01

    Smart photovoltaic windows represent a promising green technology featuring tunable transparency and electrical power generation under external stimuli to control the light transmission and manage the solar energy. Here, we demonstrate a thermochromic solar cell for smart photovoltaic window applications utilizing the structural phase transitions in inorganic halide perovskite caesium lead iodide/bromide. The solar cells undergo thermally-driven, moisture-mediated reversible transitions between a transparent non-perovskite phase (81.7% visible transparency) with low power output and a deeply coloured perovskite phase (35.4% visible transparency) with high power output. The inorganic perovskites exhibit tunable colours and transparencies, a peak device efficiency above 7%, and a phase transition temperature as low as 105 °C. We demonstrate excellent device stability over repeated phase transition cycles without colour fade or performance degradation. The photovoltaic windows showing both photoactivity and thermochromic features represent key stepping-stones for integration with buildings, automobiles, information displays, and potentially many other technologies.

  2. Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

    KAUST Repository

    Bakr, Osman; Shi, Dong

    2016-01-01

    The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu

  3. Temporal and spatial distributions of sediment total organic carbon in an estuary river.

    Science.gov (United States)

    Ouyang, Y; Zhang, J E; Ou, L-T

    2006-01-01

    Understanding temporal and spatial distributions of naturally occurring total organic carbon (TOC) in sediments is critical because TOC is an important feature of surface water quality. This study investigated temporal and spatial distributions of sediment TOC and its relationships to sediment contaminants in the Cedar and Ortega Rivers, Florida, USA, using three-dimensional kriging analysis and field measurement. Analysis of field data showed that large temporal changes in sediment TOC concentrations occurred in the rivers, which reflected changes in the characteristics and magnitude of inputs into the rivers during approximately the last 100 yr. The average concentration of TOC in sediments from the Cedar and Ortega Rivers was 12.7% with a maximum of 22.6% and a minimum of 2.3%. In general, more TOC accumulated at the upper 1.0 m of the sediment in the southern part of the Ortega River although the TOC sedimentation varied with locations and depths. In contrast, high concentrations of sediment contaminants, that is, total polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs), were found in sediments from the Cedar River. There was no correlation between TOC and PAHs or PCBs in these river sediments. This finding is in contradiction to some other studies which reported that the sorption of hydrocarbons is highly related to the organic matter content of sediments. This discrepancy occurred because of the differences in TOC and hydrocarbon source input locations. It was found that more TOC loaded into the southern part of the Ortega River, while almost all of the hydrocarbons entered into the Cedar River. This study suggested that the locations of their input sources as well as the land use patterns should also be considered when relating hydrocarbons to sediment TOC.

  4. Enhanced coagulation for turbidity and Total Organic Carbon (TOC) removal from river Kansawati water.

    Science.gov (United States)

    Narayan, Sumit; Goel, Sudha

    2011-01-01

    The objective of this study was to determine optimum coagulant doses for turbidity and Total Organic Carbon (TOC) removal and evaluate the extent to which TOC can be removed by enhanced coagulation. Jar tests were conducted in the laboratory to determine optimum doses of alum for the removal of turbidity and Natural Organic Matter (NOM) from river water. Various other water quality parameters were measured before and after thejar tests and included: UV Absorbance (UVA) at 254 nm, microbial concentrations, TDS, conductivity, hardness, alkalinity, and pH. The optimum alum dose for removal of turbidity and TOC was 20 mg/L for the sample collected in November 2009 and 100 mg/L for the sample collected in March 2010. In both cases, the dose for enhanced coagulation was significantly higher than that for conventional coagulation. The gain in TOC removal was insignificant compared to the increase in coagulant dose required. This is usual for low TOC (TOC need to be tested to demonstrate the effectiveness of enhanced coagulation.

  5. Distribution of Total Volatile Organic Compounds at taxi drivers in Tehran

    Directory of Open Access Journals (Sweden)

    Seyyed Mohammad Javad Golhosseini

    2015-06-01

    Full Text Available Air pollution is currently the most serious environmental health threat worldwide. Volatile Organic Compounds (VOC are considered as the main effective factors in causing air pollution. Vehicles are among the major sources which emit these compounds, so it seems that automobiles’ microenvironment is one of the places where people are exposed to high concentration of VOC. Evaluating the exposure amount of Total Volatile Organic Compounds (TVOC can indeed be used as an indicator to estimate the amount of exposure to every individual VOC. This study was conducted on the concentration of TVOC inside Tehran taxies for a period of one year. For this purpose, a real time instrument equipped with photo-ionization detector (PID was used. Consequently, the highest and the lowest measured TVOC in taxies equaled 3.33 ppm and 0.72 ppm, respectively. In addition, the arithmetic mean of TVOC concentration was 1.77±0.53 ppm inside the examined taxies. In this study, the parameters like measurement time, climate and vehicle conditions were found to have significant effect on the amount of exposure to TVOC.

  6. Preozonation Effect on Total Organic Carbon Removal in Surface Water Treatment

    Directory of Open Access Journals (Sweden)

    Ali Torabian

    2006-06-01

    Full Text Available In drinking water treatment, preozonation is often applied in order to control the microorganisms and taste and odor causing materials, which may influence organics removal by preoxidation and adsorption. Using commercial and natural water humic substances, the positive effect of preozonation as an aid to coagulation-flocculation of these compounds was confirmed by removal of TOC removal in Tehranpars Water Treatment Plant in Tehran. These experiments were conducted as bench-scale studies through a series of jar tests using different pH coagulant dosages and total organic carbon concentration of approximately 4, 8 and 12 mg/L. In addition to TOC removal, the existence of an optimum preozonation dose (OPZD was also confirmed. Experiments show that preozonation can improve coagulation and flocculation depending on influent TOC concentration of raw water. The results demonstrate different effects of preozonation on removal of influent TOC. Preozonation showed a positive effect on a system with low influent TOC and very low molecular weight (noncolloidal humic substances.

  7. Assessment of Total Risk on Non-Target Organisms in Fungicide Application for Agricultural Sustainability

    Directory of Open Access Journals (Sweden)

    Ali Musa Bozdogan

    2014-02-01

    Full Text Available In Turkey, in 2010, the amount of pesticide (active ingredient; a.i. used in agriculture was about 23,000 metric tons, of which approximately 32% was fungicides. In 2012, 14 a.i. were used for fungus control in wheat cultivation areas in Adana province, Turkey. These a.i. were: azoxystrobin, carbendazim, difenoconazole, epoxiconazole, fluquinconazole, prochloraz, propiconazole, prothioconazole, pyraclostrobin, spiroxamine, tebuconazole, thiophanate-methyl, triadimenol, and trifloxystrobin. In this study, the potential risk of a.i. on non-target organisms in fungicide application of wheat cultivation was assessed by The Pesticide Occupational and Environmental Risk (POCER indicators. In this study, the highest human health risk was for fluquinconazole (Exceedence Factor (EF 1.798 for human health, whereas the fungicide with the highest environmental risk was propiconazole (EF 2.000 for the environment. For non-target organisms, the highest potential risk was determined for propiconazole when applied at 0.1250 kg a.i. ha-1 (EF 2.897. The lowest total risk was for azoxystrobin when applied at  0.0650 kg a.i. ha-1 (EF 0.625.

  8. Total organic carbon, an important tool in an holistic approach to hydrocarbon source fingerprinting

    Energy Technology Data Exchange (ETDEWEB)

    Boehm, P.D.; Burns, W.A.; Page, D.S.; Bence, A.E.; Mankiewicz, P.J.; Brown, J.S.; Douglas, G.S. [Battelle Member Inst., Waltham, MA (United States)

    2002-07-01

    The identification and allocation of multiple hydrocarbon sources in marine sediments is best achieved using an holistic approach. Total organic carbon (TOC) is one important tool that can constrain the contributions of specific sources and rule out incorrect source allocations in cases where inputs are dominated by fossil organic carbon. In a study of the benthic sediments from Prince William Sound (PWS) and the Gulf of Alaska (GOA), we find excellent agreement between measured TOC and TOC calculated from hydrocarbon fingerprint matches of polycyclic aromatic hydrocarbons (PAH) and chemical biomarkers. Confirmation by two such independent source indicators (TOC and fingerprint matches) provides evidence that source allocations determined by the fingerprint matches are robust and that the major TOC sources have been correctly identified. Fingerprint matches quantify the hydrocarbon contributions of various sources to the benthic sediments and the degree of hydrocarbon winnowing by waves and currents. TOC contents are then calculated using source allocation results from fingerprint matches and the TOCs of contributing sources. Comparisons of the actual sediment TOC values and those calculated from source allocation support our earlier published findings that the natural petrogenic hydrocarbon background in sediments in this area comes from eroding Tertiary shales and associated oil seeps along the northern GOA coast and exclude thermally mature area coals from being important contributors to the PWS background due to their high TOC content.

  9. Halide-Dependent Electronic Structure of Organolead Perovskite Materials

    KAUST Repository

    Buin, Andrei; Comin, Riccardo; Xu, Jixian; Ip, Alexander H.; Sargent, Edward H.

    2015-01-01

    -based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability

  10. Watershed scale spatial variability in dissolved and total organic and inorganic carbon in contrasting UK catchments

    Science.gov (United States)

    Cumberland, S.; Baker, A.; Hudson, N. J.

    2006-12-01

    investigations into carbon fluxes in British rivers have focused on long term increases in DOC in rural and predominantly upland catchments. Our results suggest that research is needed into understanding long term variations in inorganic carbon concentration, as well as total (organic and inorganic) carbon fluxes from British rivers, to obtain total carbon loads. In particular, we provide evidence that DIC concentrations may be greater in urbanized catchments compared to equivalent non-urban catchments, with the implication that increasing urbanization in the future will see increases in riverine DIC and a decrease in the strength of any DOC DIC anti correlation. Further studies of urban catchment DIC sources, within stream processing, long term trends, and potential ecological impacts, are required.

  11. Muonium centers in the alkali halides

    International Nuclear Information System (INIS)

    Baumeler, H.; Kiefl, R.F.; Keller, H.; Kuendig, W.; Odermatt, W.; Patterson, B.D.; Schneider, J.W.; Savic, I.M.

    1986-01-01

    Muonium centers (Mu) in single crystals and powdered alkali halides have been studied using the high-timing-resolution transverse field μSR technique. Mu has been observed and its hyperfine parameter (HF) determined in every alkali halide. For the rocksalt alkali halides, the HF parameter A μ shows a systematic dependence on the host lattice constant. A comparison of the Mu HF parameter with hydrogen ESR data suggests that the Mu center is the muonic analogue of the interstitial hydrogen H i 0 -center. The rate of Mu diffusion can be deduced from the motional narrowing of the nuclear hyperfine interaction. KBr shows two different Mu states, a low-temperature Mu I -state and a high-temperature Mu II -state. (orig.)

  12. Studies on unusually reactive metal powders. Preparation of new organometallic and organic compounds including potential new catalysts. Final report, July 1, 1980-December 31, 1984

    International Nuclear Information System (INIS)

    Rieke, R.D.

    1985-06-01

    This research project was involved with the preparation and study of highly reactive metal powders prepared by the reduction of metal salts with alkali metals. Studies concentrated on nickel, copper, cadmium, uranium, iron, and magnesium. The nickel powders have been found to react rapidly with benzylic halides, and the resulting organonickel complexes yield dibenzyl. Aryl halides react rapidly with the nickel powders to produce biaryl compounds in high yields. Benzylic halides react with the nickel powders in the presence of acylhalides to produce benzyl ketones in high yields. Reactions of ROCOCOC1 and benzylic halides with nickel powders yield benzyl ketones. These reactions proceed with a wide variety of substituents on the phenyl ring of the benzylic halides. Highly reactive uranium has been prepared, and found to react with a variety of oxygen containing substrates, such as nitrobenzene to yield azo benzene. Highly reactive magnesium has opened up a totally new area of low temperature Grignard chemistry. The preparation of highly reactive copper has allowed the direct preparation of organocopper species directly from organic halides. 16 refs., 6 tabs

  13. Organic and total mercury determination in sediments by cold vapor atomic absorption spectrometry: methodology validation and uncertainty measurements

    Directory of Open Access Journals (Sweden)

    Robson L. Franklin

    2012-01-01

    Full Text Available The purpose of the present study was to validate a method for organic Hg determination in sediment. The procedure for organic Hg was adapted from literature, where the organomercurial compounds were extracted with dichloromethane in acid medium and subsequent destruction of organic compounds by bromine chloride. Total Hg was performed according to 3051A USEPA methodology. Mercury quantification for both methodologies was then performed by CVAAS. Methodology validation was verified by analyzing certified reference materials for total Hg and methylmercury. The uncertainties for both methodologies were calculated. The quantification limit of 3.3 µg kg-1 was found for organic Hg by CVAAS.

  14. Adsorption of molecular additive onto lead halide perovskite surfaces: A computational study on Lewis base thiophene additive passivation

    Science.gov (United States)

    Zhang, Lei; Yu, Fengxi; Chen, Lihong; Li, Jingfa

    2018-06-01

    Organic additives, such as the Lewis base thiophene, have been successfully applied to passivate halide perovskite surfaces, improving the stability and properties of perovskite devices based on CH3NH3PbI3. Yet, the detailed nanostructure of the perovskite surface passivated by additives and the mechanisms of such passivation are not well understood. This study presents a nanoscopic view on the interfacial structure of an additive/perovskite interface, consisting of a Lewis base thiophene molecular additive and a lead halide perovskite surface substrate, providing insights on the mechanisms that molecular additives can passivate the halide perovskite surfaces and enhance the perovskite-based device performance. Molecular dynamics study on the interactions between water molecules and the perovskite surfaces passivated by the investigated additive reveal the effectiveness of employing the molecular additives to improve the stability of the halide perovskite materials. The additive/perovskite surface system is further probed via molecular engineering the perovskite surfaces. This study reveals the nanoscopic structure-property relationships of the halide perovskite surface passivated by molecular additives, which helps the fundamental understanding of the surface/interface engineering strategies for the development of halide perovskite based devices.

  15. Soil, vegetation and total organic carbon stock development in self-restoring abandoned vineyards

    Science.gov (United States)

    József Novák, Tibor; Incze, József; Spohn, Marie; Giani, Luise

    2016-04-01

    Abandoned vineyard's soil and vegetation development was studied on Tokaj Nagy-Hill, which is one of the traditional wine-producing regions of Hungary, it is declared as UNESCO World Heritage site as cultural landscape. Spatial distribution and pattern of vineyards were changing during the last several hundreds of years, therefore significant part of abandoned vineyards were subjected to long-term spontaneous secondary succession of vegetation and self-restoration of soils in absence of later cultivation. Two chronosequences of spontaneously regenerating vineyard abandonments, one on south (S-sequence) and one on southwest (SW-sequence) slope with differing times since their abandonment (193, 142, 101, 63, 39 and 14 years), were compiled and studied. The S-sequence was 25-35% sloped and strongly eroded, and the SW-sequence was 17-25% sloped and moderately eroded. The sites were investigated in respect of vegetation characteristics, soil physico-chemical characteristics, total organic carbon stocks (TOC stocks), accumulation rates of total organic carbon (TOC accumulation rates), and soil profiles, which were classified according to the World Reference Base (WRB) 2014. Vegetation development resulted in shrub-grassland mosaics, supplemented frequently by protected forb species and forest development at the earliest abandonment in S-sequence, and predominantly to forest vegetation in SW-sequence, where trees were only absent at the 63 and 14 years old abandonment sites. In all sites soils on level of reference groups according to WRB were classified, and Cambisols, Regosols, Calcisols, Leptosols, Chernozems and Phaeozems were found. Soils of the S-sequence show shallow remnants of loess cover with colluvic and redeposited soil materials containing 15-65% skeletal volcanic rock of weathering products coated by secondary calcium carbonates. The SW-sequence profiles are developed on deep loess or loess derivatives. The calcium-carbonate content was higher in profiles of

  16. Total organic carbon, an important tool in a holistic approach to hydrocarbon source fingerprinting

    International Nuclear Information System (INIS)

    Boehm, P.D.; Burns, W.A.; Page, D.S.; Bence, A.E.; Mankiewicz, P.J.; Brown, J.S.; Douglas, G.S.

    2002-01-01

    Total organic carbon (TOC) was used to verify the consistency of source allocation results for the natural petrogenic hydrocarbon background of the northern Gulf of Alaska and Prince William Sound where the Exxon Valdez oil spill occurred in 1998. The samples used in the study were either pre-spill sediments or from the seafloor outside the spill path. It is assumed that the natural petrogenic hydrocarbon background in the area comes from either seep oil residues and shale erosion including erosion from petroleum source rock shales, or from coals including those of the Bering River coalfields. The objective of this study was to use the TOC calculations to discriminate between the two very different sources. TOC can constrain the contributions of specific sources and rule out incorrect source allocations, particularly when inputs are dominated by fossil organic carbon. The benthic sediments used in this study showed excellent agreement between measured TOC and calculated TOC from hydrocarbon fingerprint matches of polycyclic aromatic hydrocarbons (PAH) and chemical biomarkers. TOC and fingerprint matches confirmed that TOC sources were properly identified. The matches quantify the hydrocarbon contributions of different sources to the benthic sediments and the degree of hydrocarbon winnowing by waves and currents. It was concluded that the natural petrogenic hydrocarbon background in the sediments in the area comes from eroding Tertiary shales and oil seeps along the northern Gulf of Alaska coast. Thermally mature area coals are excluded from being important contributors to the background at Prince William Sound because of their high TOC content. 26 refs., 4 figs

  17. Seismic based characterization of total organic content from the marine Sembar shale, Lower Indus Basin, Pakistan

    Science.gov (United States)

    Aziz, Omer; Hussain, Tahir; Ullah, Matee; Bhatti, Asher Samuel; Ali, Aamir

    2018-02-01

    The exploration and production of unconventional resources has increased significantly over the past few years around the globe to fulfill growing energy demands. Hydrocarbon potential of these unconventional petroleum systems depends on the presence of significant organic matter; their thermal maturity and the quality of present hydrocarbons i.e. gas or oil shale. In this work, we present a workflow for estimating Total Organic Content (TOC) from seismic reflection data. To achieve the objective of this study, we have chosen a classic potential candidate for exploration of unconventional reserves, the shale of the Sembar Formation, Lower Indus Basin, Pakistan. Our method includes the estimation of TOC from the well data using the Passey's ΔlogR and Schwarzkofp's methods. From seismic data, maps of Relative Acoustic Impedance (RAI) are extracted at maximum and minimum TOC zones within the Sembar Formation. A geostatistical trend with good correlation coefficient (R2) for cross-plots between TOC and RAI at well locations is used for estimation of seismic based TOC at the reservoir scale. Our results suggest a good calibration of TOC values from seismic at well locations. The estimated TOC values range from 1 to 4% showing that the shale of the Sembar Formation lies in the range of good to excellent unconventional oil/gas play within the context of TOC. This methodology of source rock evaluation provides a spatial distribution of TOC at the reservoir scale as compared to the conventional distribution generated from samples collected over sparse wells. The approach presented in this work has wider applications for source rock evaluation in other similar petroliferous basins worldwide.

  18. Total organic carbon, an important tool in a holistic approach to hydrocarbon source fingerprinting

    Energy Technology Data Exchange (ETDEWEB)

    Boehm, P.D. [Battelle, Waltham, MA (United States); Burns, W.A. [W.A. Burns Consulting Services, Houston, TX (United States); Page, D.S. [Bowdoin College, Brunswick, ME (United States); Bence, A.E.; Mankiewicz, P.J. [ExxonMobil Upstream Research Co., Houston, TX (United States); Brown, J.S.; Douglas, G.S. [Battelle, Duxbury, MA (United States)

    2002-07-01

    Total organic carbon (TOC) was used to verify the consistency of source allocation results for the natural petrogenic hydrocarbon background of the northern Gulf of Alaska and Prince William Sound where the Exxon Valdez oil spill occurred in 1998. The samples used in the study were either pre-spill sediments or from the seafloor outside the spill path. It is assumed that the natural petrogenic hydrocarbon background in the area comes from either seep oil residues and shale erosion including erosion from petroleum source rock shales, or from coals including those of the Bering River coalfields. The objective of this study was to use the TOC calculations to discriminate between the two very different sources. TOC can constrain the contributions of specific sources and rule out incorrect source allocations, particularly when inputs are dominated by fossil organic carbon. The benthic sediments used in this study showed excellent agreement between measured TOC and calculated TOC from hydrocarbon fingerprint matches of polycyclic aromatic hydrocarbons (PAH) and chemical biomarkers. TOC and fingerprint matches confirmed that TOC sources were properly identified. The matches quantify the hydrocarbon contributions of different sources to the benthic sediments and the degree of hydrocarbon winnowing by waves and currents. It was concluded that the natural petrogenic hydrocarbon background in the sediments in the area comes from eroding Tertiary shales and oil seeps along the northern Gulf of Alaska coast. Thermally mature area coals are excluded from being important contributors to the background at Prince William Sound because of their high TOC content. 26 refs., 4 figs.

  19. Assessment of ecotoxicity and total volatile organic compound (TVOC) emissions from food and children's toy products.

    Science.gov (United States)

    Szczepańska, Natalia; Marć, Mariusz; Kudłak, Błażej; Simeonov, Vasil; Tsakovski, Stefan; Namieśnik, Jacek

    2018-09-30

    The development of new methods for identifying a broad spectrum of analytes, as well as highly selective tools to provide the most accurate information regarding the processes and relationships in the world, has been an area of interest for researchers for many years. The information obtained with these tools provides valuable data to complement existing knowledge but, above all, to identify and determine previously unknown hazards. Recently, attention has been paid to the migration of xenobiotics from the surfaces of various everyday objects and the resulting impacts on human health. Since children are among those most vulnerable to health consequences, one of the main subjects of interest is the migration of low-molecular-weight compounds from toys and products intended for children. This migration has become a stimulus for research aimed at determining the degree of release of compounds from popular commercially available chocolate/toy sets. One of main objectives of this research was to determine the impact of time on the ecotoxicity (with Vibrio fischeri bioluminescent bacteria) of extracts of products intended for children and to assess the correlation with total volatile organic compound emissions using basic chemometric methods. The studies on endocrine potential (with XenoScreen YES/YAS) of the extracts and showed that compounds released from the studied objects (including packaging foils, plastic capsules storing toys, most of toys studied and all chocolate samples) exhibit mostly androgenic antagonistic behavior while using artificial saliva as extraction medium increased the impact observed. The impact of time in most cases was positive one and increased with prolonging extraction time. The small-scale stationary environmental test chambers - μ-CTE™ 250 system was employed to perform the studies aimed at determining the profile of total volatile organic compounds (TVOCs) emissions. Due to this it was possible to state that objects from which the

  20. Suppression/reducing method for total organic carbon in feedwater/condensate

    International Nuclear Information System (INIS)

    Maeda, Katsuharu.

    1993-01-01

    The present invention suppresses/reduces the concentration of the total organic carbon before the startup of a reactor, to decrease (TOC) which is brought into the reactor upon startup of the operation and suppress/moderate degradation of water quality of reactor water. That is, in-service period of a condensate desalting tower is shortened, to avoid concentration increase of TOC in feed water/condensate which is leached out from the condensate desalting tower. The condensate desalting towers are put to in-service for the entire towers after increasing the vacuum degree of the condensator, to suppress leaching of TOC from the condensate desalting tower. Further, upon startup of a nuclear power plant, when the condensate desalting tower is put to in-service, condensate filters of the entire towers are previously back-washed and regenerated to remove TOC efficiently. By these procedures, TOC brought from a water supply system upon startup of the plant is thermally decomposed or radiolyzed in the reactor, thereby enabling to suppress/avoid worsening of water quality of reactor water caused by generated ion impurities. (I.S.)

  1. Symptoms of mothers and infants related to total volatile organic compounds in household products.

    Science.gov (United States)

    Farrow, Alexandra; Taylor, Hazel; Northstone, Kate; Golding, Jean

    2003-10-01

    The authors sought to determine whether reported symptoms of mothers and infants were associated significantly with the use of household products that raised indoor levels of total volatile organic compounds (TVOCs). Data collected from 170 homes within the Avon Longitudinal Study of Parents and Children (ALSPAC: a large birth cohort of more than 10,000) had determined which household products were associated with the highest levels of TVOCs. The latter data were collected over a period that approximated 6 mo of pregnancy and the infants' first 6 mo of life. This paper presents (a) the mothers' self-reports of the use of these products in their homes and (b) self-reported medical symptoms of mothers and infants postnatally. Higher TVOC levels were associated with air freshener and aerosol use. Infant diarrhea and earache were statistically significantly associated with air freshener use, and diarrhea and vomiting were significantly associated with aerosol use. Headache experienced by mothers 8 mo after birth was significantly associated with the use of air fresheners and aerosols; maternal depression was significantly associated with the use of air fresheners. The results of the study suggest a link between the use of products that raise indoor levels of TVOCs and an increased risk of certain symptoms among infants and their mothers.

  2. Association of nitrate, nitrite, and total organic carbon (TOC) in drinking water and gastrointestinal disease.

    Science.gov (United States)

    Khademikia, Samaneh; Rafiee, Zahra; Amin, Mohammad Mehdi; Poursafa, Parinaz; Mansourian, Marjan; Modaberi, Amir

    2013-01-01

    We aimed to investigate the amounts of nitrate, nitrite, and total organic carbon (TOC) in two drinking water sources and their relationship with some gastrointestinal diseases. This cross-sectional study was conducted in 2012 in Iran. Two wells located in residential areas were selected for sampling and measuring the TOC, nitrate (NO3(-)), and nitrite (NO2(-)). This water is used for drinking as well as for industrial and agricultural consumption. Nitrate and nitrite concentrations of water samples were analyzed using DR 5000 spectrophotometer. The information of patients was collected from the records of the main referral hospital of the region for gastrointestinal diseases. In both areas under study, the mean water nitrate and nitrite concentrations were higher in July than in other months. The mean TOC concentrations in areas 1 and 2 were 2.29 ± 0.012 and 2.03 ± 0.309, respectively. Pollutant concentration and gastrointestinal disease did not show any significant relationship (P > 0.05). Although we did not document significant association of nitrite, nitrate, and TOC content of water with gastrointestinal diseases, it should be considered that such health hazards may develop over time, and the quality of water content should be controlled to prevent different diseases.

  3. Frustrated total internal reflection in organic light-emitting diodes employing sphere cavity embedded in polystyrene

    International Nuclear Information System (INIS)

    Zhu, Peifen

    2016-01-01

    The light extraction efficiency of top-emitting organic light-emitting diodes (OLEDs) is numerically investigated employing the finite-difference time-domain method. The periodic nanostructures formed by embedding the sphere arrays in polystyrene (PS) are placed on top of OLED to frustrate the total internal reflection at the interface between OLED and free space. These nanostructures serve as an intermediate medium to extract the light out of OLED devices. Efficiently coupling both evanescent waves and propagation waves into spheres and subsequently extracting these light waves out of the sphere is key to achieving high extraction efficiency. By tuning the thickness of PS layer, both of the in-coupling efficiency and out-coupling efficiency are optimized for achieving high light extraction efficiency. Thicker PS layer results in higher in-coupling efficiency in sphere while the thinner PS layer leads to higher out-coupling efficiency. Thus the maximum light extraction is a trade-off between the in-coupling efficiency and out-coupling efficiency. The study shows that light extraction efficiency of 89% can be achieved by embedding 0.90 μm TiO 2 sphere in 0.30 μm PS layer with optimized in-coupling efficiency, out-coupling efficiency and cavity effect. (paper)

  4. [Accumulation of soil organic carbon and total nitrogen in Pinus yunnanensis forests at different age stages].

    Science.gov (United States)

    Miao, Juan; Zhou, Chuan-Yan; Li, Shi-Jie; Yan, Jun-Hua

    2014-03-01

    Taking three Pinus yunnanensis forests at different ages (19, 28 and 45 a) in Panxian County of Guizhou Province as test objects, we investigated vertical distributions and accumulation rates of soil organic carbon (SOC) and total nitrogen (TN), as well as their relationships with soil bulk density. For the three forests at different age stages, SOC and TN changed consistently along the soil profile, declining with the soil depth. Both SOC and TN storage increased with the forest age. The SOC and TN storage amounts were 96.24, 121.65 and 148.13 t x hm(-2), and 10.76, 12.96 and 13.08 t x hm(-2) for the forest stands with 19 a, 28 a and 45 a, respectively. SOC had a significant positive correlation with soil TN, while both of them had a significant negative relationship with the soil bulk density. The accumulation rates of both SOC and TN storage at different growth periods were different, and the rate in the period from age 19 to 28 was higher than in the period from age 28 to 45.

  5. Assessment of bacterial growth and total organic carbon removal on granular activated carbon contactors.

    Science.gov (United States)

    Bancroft, K; Maloney, S W; McElhaney, J; Suffet, I H; Pipes, W O

    1983-01-01

    The overall growth rate of bacteria on granular activated carbon (GAC) contactors at the Philadelphia Torresdale Water Treatment Pilot Plant facility was found to decrease until steady state was reached. The growth rate was found to fluctuate between 6.94 X 10(-3) and 8.68 X 10(-4) doublings per h. The microbiological removal of total organic carbon (TOC) was calculated by considering the GAC contactors as semiclosed continuous culture systems and using growth yield factors determined in laboratory experiments. After ozonation, the average TOC entering the contactors was 1,488 micrograms/liter, and the average effluent TOC was 497 micrograms/liter. Microbiological TOC removal was found to average 240 micrograms/liter on GAC contactors, which was not significantly different from microbiological TOC (220 micrograms/liter) removal across a parallel sand contactor where no adsorption took place. Thus, GAC did not appear to enhance biological TOC removal. Bacterial growth and maintenance was responsible for approximately 24% of the TOC removal on GAC under the conditions of this study. PMID:6639023

  6. [Impact of air fresheners and deodorizers on the indoor total volatile organic compounds].

    Science.gov (United States)

    Jinno, Hideto; Tanaka-Kagawa, Toshiko; Obama, Tomoko; Miyagawa, Makoto; Yoshikawa, Jun; Komatsu, Kazuhiro; Tokunaga, Hiroshi

    2007-01-01

    Indoor air quality is a growing health concern because of the increased incidence of the building-related illness, such as sick-building syndrome and multiple chemical sensitivity/idiopathic environmental intolerance. In order to effectively reduce the unnecessary chemical exposure in the indoor environment, it would be important to quantitatively compare the emissions from many types of sources. Besides the chemical emissions from the building materials, daily use of household products may contribute at significant levels to the indoor volatile organic compounds (VOCs). In this study, we investigated the emission rate of VOCs and carbonyl compounds for 30 air fresheners and deodorizers by the standard small chamber test method (JIS A 1901). The total VOC (TVOC) emission rates of these household products ranged from the undetectable level (fragrances in the products account for the major part of the TVOC emissions. Based on the emission rates, the impacts on the indoor TVOC were estimated by the simple model with a volume of 17.4 m3 and a ventilation frequency of 0.5 times/h. The mean of the TVOC increment for the indoor air fresheners was 170 microg/m3, accounting for 40% of the current provisional target value, 400 microg/m3. These results suggest that daily use of household products can significantly influence the indoor air quality.

  7. Assessment of bacterial growth and total organic carbon removal on granular activated carbon contactors.

    Science.gov (United States)

    Bancroft, K; Maloney, S W; McElhaney, J; Suffet, I H; Pipes, W O

    1983-09-01

    The overall growth rate of bacteria on granular activated carbon (GAC) contactors at the Philadelphia Torresdale Water Treatment Pilot Plant facility was found to decrease until steady state was reached. The growth rate was found to fluctuate between 6.94 X 10(-3) and 8.68 X 10(-4) doublings per h. The microbiological removal of total organic carbon (TOC) was calculated by considering the GAC contactors as semiclosed continuous culture systems and using growth yield factors determined in laboratory experiments. After ozonation, the average TOC entering the contactors was 1,488 micrograms/liter, and the average effluent TOC was 497 micrograms/liter. Microbiological TOC removal was found to average 240 micrograms/liter on GAC contactors, which was not significantly different from microbiological TOC (220 micrograms/liter) removal across a parallel sand contactor where no adsorption took place. Thus, GAC did not appear to enhance biological TOC removal. Bacterial growth and maintenance was responsible for approximately 24% of the TOC removal on GAC under the conditions of this study.

  8. FERTILITY AND TOTAL ORGANIC CARBON IN OXISOL UNDER DIFFERENT MANAGEMENT SYSTEMS IN SAVANNAH OF PIAUÍ, BRAZIL

    Directory of Open Access Journals (Sweden)

    Fernando Silva Araújo

    2017-05-01

    Full Text Available The intensive use of natural resources for food production has ruptured the sustainability of agro-ecosystems. In this context, this study aimed to quantify chemical attributes of Oxisol under five management systems: 1 = conventional tillage (CT; 2 = no-tillage system with millet (NT + M; 3 = crop–livestock integration system with soybean (CL + S; 4 = CL with pasture (CL + P; and 5 = native forest (NF. The following soil depths were studied: 0.00–0.05, 0.05–0.10, and 0.10–0.20 m; and the following traits were quantified: total organic carbon (TOC, soil acidity (pH, soil potential acidity (H + Al and soil fertility (Ca, Mg, P and K. All treatments modified soil chemical attributes in comparison to NF (p <0.01. The highest phosphorus and potassium levels were observed under CL + S at all evaluated depths. The NT + M treatment increased Ca and Mg levels in layers 0.0–0.05 and 0.10–0.20, whereas CL + S increased base addition (BA, cation exchange capacity (CEC and  base saturation (BS levels in layer 0.05–0.10 m. Finally, both CL systems improved soil chemical quality, increased surface TOC and carbon stock in depth.

  9. High purity heavy water production: need for total organic carbon determination in process water streams

    International Nuclear Information System (INIS)

    Ayushi; Kumar, Sangita D.; Reddy, A.V.R.; Vithal, G.K.

    2009-01-01

    In recent times, demand for high purity heavy water (99.98% pure) in industries and laboratories has grown by manifold. Its application started in nuclear industry with the design of CANDU reactor, which uses natural uranium as fuel. In this reactor the purest grade of heavy water is used as the moderator and the primary coolant. Diverse industrial applications like fibre optics, medicine, semiconductors etc. use high purity heavy water extensively to achieve better performance of the specific material. In all these applications there is a stringent requirement that the total organic carbon content (TOC) of high purity heavy water should be very low. This is because the presence of TOC can lead to adverse interactions in different applications. To minimize the TOC content in the final product there is a need to monitor and control the TOC content at each and every stage of heavy water production. Hence a simple, rapid and accurate method was developed for the determination of TOC content in process water samples. The paper summarizes the results obtained for the TOC content in the water samples collected from process streams of heavy water production plant. (author)

  10. Basin-scale changes of total organic carbon profiles in the eastern South Atlantic

    Directory of Open Access Journals (Sweden)

    X. A. Alvarez-Salgado

    2001-03-01

    Full Text Available Total organic carbon (TOC samples were collected at 6 stations spaced ~800 km apart in the eastern South Atlantic, from the Equator to 45°S along 9°W. Analyses were performed by high temperature catalytic oxidation (HTCO in the base laboratory. Despite the complex advection and mixing patterns of North Atlantic and Antarctic waters with extremely different degrees of ventilation, TOC levels below 500 m are quasi-constant at 55±3 µmol C l-1, pointing to the refractory nature of deep-water TOC. On the other hand, a TOC excess from 25 to 38 g C m-2 is observed in the upper 100 m of the permanently stratified nutrient-depleted Equatorial, Subequatorial and Subtropical upper ocean, where vertical turbulent diffusion is largely prevented. Conversely, TOC levels in the nutrient-rich upper layer of the Subantarctic Front only exceeds 9 g C m-2 the deep-water baseline. As much as 70% of the TOC variability in the upper 500 m is due to simple mixing of reactive TOC formed in the surface layer and refractory TOC in deep ocean waters, with a minor contribution (13% to oxygen consumption in the prominent subsurface AOU maximum at 200-400 m depth.

  11. Highly Efficient Broadband Yellow Phosphor Based on Zero-Dimensional Tin Mixed-Halide Perovskite.

    Science.gov (United States)

    Zhou, Chenkun; Tian, Yu; Yuan, Zhao; Lin, Haoran; Chen, Banghao; Clark, Ronald; Dilbeck, Tristan; Zhou, Yan; Hurley, Joseph; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Djurovich, Peter; Ma, Biwu

    2017-12-27

    Organic-inorganic hybrid metal halide perovskites have emerged as a highly promising class of light emitters, which can be used as phosphors for optically pumped white light-emitting diodes (WLEDs). By controlling the structural dimensionality, metal halide perovskites can exhibit tunable narrow and broadband emissions from the free-exciton and self-trapped excited states, respectively. Here, we report a highly efficient broadband yellow light emitter based on zero-dimensional tin mixed-halide perovskite (C 4 N 2 H 14 Br) 4 SnBr x I 6-x (x = 3). This rare-earth-free ionically bonded crystalline material possesses a perfect host-dopant structure, in which the light-emitting metal halide species (SnBr x I 6-x 4- , x = 3) are completely isolated from each other and embedded in the wide band gap organic matrix composed of C 4 N 2 H 14 Br - . The strongly Stokes-shifted broadband yellow emission that peaked at 582 nm from this phosphor, which is a result of excited state structural reorganization, has an extremely large full width at half-maximum of 126 nm and a high photoluminescence quantum efficiency of ∼85% at room temperature. UV-pumped WLEDs fabricated using this yellow emitter together with a commercial europium-doped barium magnesium aluminate blue phosphor (BaMgAl 10 O 17 :Eu 2+ ) can exhibit high color rendering indexes of up to 85.

  12. Reactivity of halide and pseudohalide ligands

    International Nuclear Information System (INIS)

    Kukushkin, Yu.N.

    1987-01-01

    Reactivity of halide and pseudohalide (cyanide, azide, thiocyanate, cyanate) ligands tending to form bridge bonds in transition metal (Re, Mo, W) complexes is considered. Complexes where transition metal salts are ligands of other, complex-forming ion, are described. Transformation of innerspheric pseudohalide ligands is an important way of directed synthesis of these metal coordination compounds

  13. Formation of structured nanophases in halide crystals

    Czech Academy of Sciences Publication Activity Database

    Kulveit, Jan; Demo, Pavel; Polák, Karel; Sveshnikov, Alexey; Kožíšek, Zdeněk

    2013-01-01

    Roč. 5, č. 6 (2013), s. 561-564 ISSN 2164-6627 R&D Projects: GA ČR GAP108/12/0891 Institutional support: RVO:68378271 Keywords : halide crystals * nucleation Subject RIV: BM - Solid Matter Physics ; Magnetism http://www.aspbs.com/asem.html#v5n6

  14. Complexes of alkylphenols with aluminium halides

    International Nuclear Information System (INIS)

    Golounin, A.V.

    1997-01-01

    Interaction of aluminium halides with alkylphenols is studied through the NMR method. The peculiarity of complex formation of pentamethylphenol with AlI 3 is revealed. By AlI 3 action on the pentamethylphenol the complexes are formed both of keto- and oxy form [ru

  15. luminescence in coloured alkali halide crystals

    Indian Academy of Sciences (India)

    have studied the effect of annealing in chlorine gas on the ML of X-rayed KCl crystals. ..... high temperature because of the thermal bleaching of the coloration in alkali halide ..... [31] J Hawkins, Ph.D. Thesis (University of Reading, 1976).

  16. Monocrystalline halide perovskite nanostructures for optoelectronic applications

    NARCIS (Netherlands)

    Khoram, P.

    2018-01-01

    Halide perovskites are a promising class of materials for incorporation in optoelectronics with higher efficiency and lower cost. The solution processability of these materials provides unique opportunities for simple nanostructure fabrication. In the first half of the thesis (chapter 2 and 3) we

  17. Distribution of surficial sediment in Long Island Sound and adjacent waters: Texture and total organic carbon

    Science.gov (United States)

    Poppe, L.J.; Knebel, H.J.; Mlodzinska, Z.J.; Hastings, M.E.; Seekins, B.A.

    2000-01-01

    The surficial sediment distribution within Long Island Sound has been mapped and described using bottom samples, photography, and sidescan sonar, combined with information from the geologic literature. The distributions of sediment type and total organic carbon (TOC) reveal several broad trends that are largely related to the sea-floor geology, the bathymetry, and the effects of modern tidal- and wind-driven currents. Sediment types are most heterogeneous in bathymetrically complex and shallow nearshore areas; the heterogeneity diminishes and the texture fines with decreasing bottom-current energy. Lag deposits of gravel and gravelly sand dominate the surficial sediment texture in areas where bottom currents are the strongest (such as where tidal flow is constricted) and where glacial till crops out at the sea floor. Sand is the dominant sediment type in areas characterized by active sediment transport and in shallow areas affected by fine-grained winnowing. Silty sand and sand-silt-clay mark transitions within the basin from higher- to lower-energy environments, suggesting a diminished hydraulic ability to sort and transport sediment. Clayey silt and silty clay are the dominant sediment types accumulating in the central and western basins and in other areas characterized by long-term depositional environments. The amount of TOC in the sediments of Long Island Sound varies inversely with sediment grain size. Concentrations average more than 1.9% (dry weight) in clayey silt, but are less than 0.4% in sand. Generally, values for TOC increase both toward the west in the Sound and from the shallow margins to the deeper parts of the basin floor. Our data also suggest that TOC concentrations can vary seasonally.

  18. Metal Halide Perovskite Single Crystals: From Growth Process to Application

    Directory of Open Access Journals (Sweden)

    Shuigen Li

    2018-05-01

    Full Text Available As a strong competitor in the field of optoelectronic applications, organic-inorganic metal hybrid perovskites have been paid much attention because of their superior characteristics, which include broad absorption from visible to near-infrared region, tunable optical and electronic properties, high charge mobility, long exciton diffusion length and carrier recombination lifetime, etc. It is noted that perovskite single crystals show remarkably low trap-state densities and long carrier diffusion lengths, which are even comparable with the best photovoltaic-quality silicon, and thus are expected to provide better optoelectronic performance. This paper reviews the recent development of crystal growth in single-, mixed-organic-cation and fully inorganic halide perovskite single crystals, in particular the solution approach. Furthermore, the application of metal hybrid perovskite single crystals and future perspectives are also highlighted.

  19. Combinatorial screening of halide perovskite thin films and solar cells by mask-defined IR laser molecular beam epitaxy

    OpenAIRE

    Kawashima, Kazuhiro; Okamoto, Yuji; Annayev, Orazmuhammet; Toyokura, Nobuo; Takahashi, Ryota; Lippmaa, Mikk; Itaka, Kenji; Suzuki, Yoshikazu; Matsuki, Nobuyuki; Koinuma, Hideomi

    2017-01-01

    Abstract As an extension of combinatorial molecular layer epitaxy via ablation of perovskite oxides by a pulsed excimer laser, we have developed a laser molecular beam epitaxy (MBE) system for parallel integration of nano-scaled thin films of organic?inorganic hybrid materials. A pulsed infrared (IR) semiconductor laser was adopted for thermal evaporation of organic halide (A-site: CH3NH3I) and inorganic halide (B-site: PbI2) powder targets to deposit repeated A/B bilayer films where the thic...

  20. Halide peroxidase in tissues that interact with bacteria in the host squid Euprymna scolopes.

    Science.gov (United States)

    Small, A L; McFall-Ngai, M J

    1999-03-15

    An enzyme with similarities to myeloperoxidase, the antimicrobial halide peroxidase in mammalian neutrophils, occurs abundantly in the light organ tissue of Euprymna scolopes, a squid that maintains a beneficial association with the luminous bacterium Vibrio fischeri. Using three independent assays typically applied to the analysis of halide peroxidase enzymes, we directly compared the activity of the squid enzyme with that of human myeloperoxidase. One of these methods, the diethanolamine assay, confirmed that the squid peroxidase requires halide ions for its activity. The identification of a halide peroxidase in a cooperative bacterial association suggested that this type of enzyme can function not only to control pathogens, but also to modulate the interactions of host animals with their beneficial partners. To determine whether the squid peroxidase functions under both circumstances, we examined its distribution in a variety of host tissues, including those that typically interact with bacteria and those that do not. Tissues interacting with bacteria included those that have specific cooperative associations with bacteria (i.e., the light organ and accessory nidamental gland) and those that have transient nonspecific interactions with bacteria (i.e., the gills, which clear the cephalopod circulatory system of invading microorganisms). These bacteria-associated tissues were compared with the eye, digestive gland, white body, and ink-producing tissues, which do not typically interact directly with bacteria. Peroxidase enzyme assays, immunocytochemical localization, and DNA-RNA hybridizations showed that the halide-dependent peroxidase is consistently expressed in high concentration in tissues that interact bacteria. Elevated levels of the peroxidase were also found in the ink-producing tissues, which are known to have enzymatic pathways associated with antimicrobial activity. Taken together, these data suggest that the host uses a common biochemical response to

  1. Determination of the structural phase and octahedral rotation angle in halide perovskites

    Science.gov (United States)

    dos Reis, Roberto; Yang, Hao; Ophus, Colin; Ercius, Peter; Bizarri, Gregory; Perrodin, Didier; Shalapska, Tetiana; Bourret, Edith; Ciston, Jim; Dahmen, Ulrich

    2018-02-01

    A key to the unique combination of electronic and optical properties in halide perovskite materials lies in their rich structural complexity. However, their radiation sensitive nature limits nanoscale structural characterization requiring dose efficient microscopic techniques in order to determine their structures precisely. In this work, we determine the space-group and directly image the Br halide sites of CsPbBr3, a promising material for optoelectronic applications. Based on the symmetry of high-order Laue zone reflections of convergent-beam electron diffraction, we identify the tetragonal (I4/mcm) structural phase of CsPbBr3 at cryogenic temperature. Electron ptychography provides a highly sensitive phase contrast measurement of the halide positions under low electron-dose conditions, enabling imaging of the elongated Br sites originating from the out-of-phase octahedral rotation viewed along the [001] direction of I4/mcm persisting at room temperature. The measurement of these features and comparison with simulations yield an octahedral rotation angle of 6.5°(±1.5°). The approach demonstrated here opens up opportunities for understanding the atomic scale structural phenomena applying advanced characterization tools on a wide range of radiation sensitive halide-based all-inorganic and hybrid organic-inorganic perovskites.

  2. METHODS FOR THE DETERMINATION OF TOTAL ORGANIC CARBON (TOC) IN SOILS AND SEDIMENTS

    Science.gov (United States)

    Organic matter in soils and sediments is widely distributed over the earth's surface occurring in almost all terrestrial and aquatic environments (Schnitzer, 1978). Soils and sediments contain a large variety of organic materials ranging from simple sugars and carbohydrates to th...

  3. Warming and organic matter sources impact the proportion of dissolved to total activities in marine extracellular enzymatic rates

    KAUST Repository

    Baltar, Federico

    2017-04-19

    Extracellular enzymatic activities (EEAs) are the rate-limiting step in the degradation of organic matter. Extracellular enzymes can be found associated to cells or dissolved in the surrounding water. The proportion of cell-free EEA constitutes in many marine environments more than half of the total activity. This high proportion causes an uncoupling between hydrolysis rates and the actual bacterial activity. However, we do not know what factors control the proportion of dissolved relative to total EEA, nor how this may change in the future ocean. To resolve this, we performed laboratory experiments with water from the Great Barrier Reef (Australia) to study the effects of temperature and dissolved organic matter sources on EEA and the proportion of dissolved EEA. We found that warming increases the rates of organic matter hydrolysis and reduces the proportion of dissolved relative to total EEA. This suggests a potential increase of the coupling between organic matter hydrolysis and heterotrophic activities with increasing ocean temperatures, although strongly dependent on the organic matter substrates available. Our study suggests that local differences in the organic matter composition in tropical coastal ecosystems will strongly affect the proportion of dissolved EEA in response to ocean warming.

  4. Physicochemical properties of mixed phosphorus halides

    International Nuclear Information System (INIS)

    Sladkov, I.B.; Tugarinova, N.S.

    1996-01-01

    Certain physicochemical properties (thermodynamic characteristics at boiling point, critical constants, density of liquid on the saturation line) of mixed phosphorus halides (PI 3 , PI 2 F, PIF 2 , PI 2 Cl, PICl 2 , PI 1 Br, PIBr 2 , PIClF, PIBrCl, etc.) are determined by means of approximate methods. Reliability of the results obtained is confirmed by comparison of calculated and experimental data for phosphorus compounds of the same type. 7 refs., 3 figs., 4 tabs

  5. Unraveling halide hydration: A high dilution approach.

    Science.gov (United States)

    Migliorati, Valentina; Sessa, Francesco; Aquilanti, Giuliana; D'Angelo, Paola

    2014-07-28

    The hydration properties of halide aqua ions have been investigated combining classical Molecular Dynamics (MD) with Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Three halide-water interaction potentials recently developed [M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144104 (2011)], along with three plausible choices for the value of the absolute hydration free energy of the proton (ΔG [minus sign in circle symbol]hyd[H+]), have been checked for their capability to properly describe the structural properties of halide aqueous solutions, by comparing the MD structural results with EXAFS experimental data. A very good agreement between theory and experiment has been obtained with one parameter set, namely LE, thus strengthening preliminary evidences for a ΔG [minus sign in circle symbol]hyd[H] value of -1100 kJ mol(-1) [M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144104 (2011)]. The Cl(-), Br(-), and I(-) ions have been found to form an unstructured and disordered first hydration shell in aqueous solution, with a broad distribution of instantaneous coordination numbers. Conversely, the F(-) ion shows more ordered and defined first solvation shell, with only two statistically relevant coordination geometries (six and sevenfold complexes). Our thorough investigation on the effect of halide ions on the microscopic structure of water highlights that the perturbation induced by the Cl(-), Br(-), and I(-) ions does not extend beyond the ion first hydration shell, and the structure of water in the F(-) second shell is also substantially unaffected by the ion.

  6. Thermomechanical measurements of lead halide single crystals

    Czech Academy of Sciences Publication Activity Database

    Nitsch, Karel; Rodová, Miroslava

    2002-01-01

    Roč. 234, č. 2 (2002), s. 701-709 ISSN 0370-1972 R&D Projects: GA AV ČR IAA2010926 Institutional research plan: CEZ:AV0Z1010914 Keywords : PbX 2 (X=Cl, Br, I) * coefficients of linear thermal expansion * polymorphism in lead halides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.930, year: 2002

  7. INVESTIGATION OF THE TOTAL ORGANIC HALOGEN ANALYTICAL METHOD AT THE WASTE SAMPLING CHARACTERIZATION FACILITY (WSCF)

    International Nuclear Information System (INIS)

    DOUGLAS JG; MEZNARICH HD, PHD; OLSEN JR; ROSS GA; STAUFFER M

    2008-01-01

    Total organic halogen (TOX) is used as a parameter to screen groundwater samples at the Hanford Site. Trending is done for each groundwater well, and changes in TOX and other screening parameters can lead to costly changes in the monitoring protocol. The Waste Sampling and Characterization Facility (WSCF) analyzes groundwater samples for TOX using the United States Environmental Protection Agency (EPA) SW-846 method 9020B (EPA 1996a). Samples from the Soil and Groundwater Remediation Project (S and GRP) are submitted to the WSCF for analysis without information regarding the source of the sample; each sample is in essence a 'blind' sample to the laboratory. Feedback from the S and GRP indicated that some of the WSCF-generated TOX data from groundwater wells had a number of outlier values based on the historical trends (Anastos 2008a). Additionally, analysts at WSCF observed inconsistent TOX results among field sample replicates. Therefore, the WSCF lab performed an investigation of the TOX analysis to determine the cause of the outlier data points. Two causes were found that contributed to generating out-of-trend TOX data: (1) The presence of inorganic chloride in the groundwater samples: at inorganic chloride concentrations greater than about 10 parts per million (ppm), apparent TOX values increase with increasing chloride concentration. A parallel observation is the increase in apparent breakthrough of TOX from the first to the second activated-carbon adsorption tubes with increasing inorganic chloride concentration. (2) During the sample preparation step, excessive purging of the adsorption tubes with oxygen pressurization gas after sample loading may cause channeling in the activated-carbon bed. This channeling leads to poor removal of inorganic chloride during the subsequent wash step with aqueous potassium nitrate. The presence of this residual inorganic chloride then produces erroneously high TOX values. Changes in sample preparation were studied to more

  8. Electrochemistry of plutonium in molten halides

    International Nuclear Information System (INIS)

    McCurry, L.E.; Moy, G.M.M.; Bowersox, D.F.

    1987-01-01

    The electrochemistry of plutonium in molten halides is of technological importance as a method of purification of plutonium. Previous authors have reported that plutonium can be purified by electrorefining impure plutonium in various molten haldies. Work to eluciate the mechanism of the plutonium reduction in molten halides has been limited to a chronopotentiometric study in LiCl-KCl. Potentiometric studies have been carried out to determine the standard reduction potential for the plutonium (III) couple in various molten alkali metal halides. Initial cyclic voltammetric experiments were performed in molten KCL at 1100 K. A silver/silver chloride (10 mole %) in equimolar NaCl-KCl was used as a reference electrode. Working and counter electrodes were tungsten. The cell components and melt were contained in a quartz crucible. Background cyclic voltammograms of the KCl melt at the tungsten electrode showed no evidence of electroactive impurities in the melt. Plutonium was added to the melt as PuCl/sub 3/, which was prepared by chlorination of the oxide. At low concentrations of PuCl/sub 3/ in the melt (0.01-0.03 molar), no reduction wave due to the reduction of Pu(III) was observed in the voltammograms up to the potassium reduction limit of the melt. However on scan reversal after scanning into the potassium reduction limit a new oxidation wave was observed

  9. Complexes in polyvalent metal - Alkali halide melts

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1991-03-01

    Experimental evidence is available in the literature on the local coordination of divalent and trivalent metal ions by halogens in some 140 liquid mixtures of their halides with alkali halides. After brief reference to classification criteria for main types of local coordination, we focus on statistical mechanical models that we are developing for Al-alkali halide mixtures. Specifically, we discuss theoretically the equilibrium between (AlF 6 ) 3- and (AlF 4 ) - complexes in mixtures of AlF 3 and NaF as a function of composition in the NaF-rich region, the effect of the alkali counterion on this equilibrium, the possible role of (AlF 5 ) 2- as an intermediate species in molten cryolite, and the origin of the different complexing behaviours of Al-alkali fluorides and chlorides. We also present a theoretical scenario for processes of structure breaking and electron localization in molten cryolite under addition of sodium metal. (author). 26 refs, 2 tabs

  10. Investigation of surface halide modification of nitrile butadiene rubber

    Science.gov (United States)

    Sukhareva, K. V.; Mikhailov, I. A.; Andriasyan, Yu O.; Mastalygina, E. E.; Popov, A. A.

    2017-12-01

    The investigation is devoted to the novel technology of surface halide modification of rubber samples based on nitrile butadiene rubber (NBR). 1,1,2-trifluoro-1,2,2-trichlorethane was used as halide modifier. The developed technology is characterized by production stages reduction to one by means of treating the rubber compound with a halide modifier. The surface halide modification of compounds based on nitrile butadiene rubber (NBR) was determined to result in increase of resistance to thermal oxidation and aggressive media. The conducted research revealed the influence of modification time on chemical resistance and physical-mechanical properties of rubbers under investigation.

  11. Lanthanide doped strontium-barium cesium halide scintillators

    Science.gov (United States)

    Bizarri, Gregory; Bourret-Courchesne, Edith; Derenzo, Stephen E.; Borade, Ramesh B.; Gundiah, Gautam; Yan, Zewu; Hanrahan, Stephen M.; Chaudhry, Anurag; Canning, Andrew

    2015-06-09

    The present invention provides for a composition comprising an inorganic scintillator comprising an optionally lanthanide-doped strontium-barium, optionally cesium, halide, useful for detecting nuclear material.

  12. An improved method for quantitatively measuring the sequences of total organic carbon and black carbon in marine sediment cores

    Science.gov (United States)

    Xu, Xiaoming; Zhu, Qing; Zhou, Qianzhi; Liu, Jinzhong; Yuan, Jianping; Wang, Jianghai

    2018-01-01

    Understanding global carbon cycle is critical to uncover the mechanisms of global warming and remediate its adverse effects on human activities. Organic carbon in marine sediments is an indispensable part of the global carbon reservoir in global carbon cycling. Evaluating such a reservoir calls for quantitative studies of marine carbon burial, which closely depend on quantifying total organic carbon and black carbon in marine sediment cores and subsequently on obtaining their high-resolution temporal sequences. However, the conventional methods for detecting the contents of total organic carbon or black carbon cannot resolve the following specific difficulties, i.e., (1) a very limited amount of each subsample versus the diverse analytical items, (2) a low and fluctuating recovery rate of total organic carbon or black carbon versus the reproducibility of carbon data, and (3) a large number of subsamples versus the rapid batch measurements. In this work, (i) adopting the customized disposable ceramic crucibles with the microporecontrolled ability, (ii) developing self-made or customized facilities for the procedures of acidification and chemothermal oxidization, and (iii) optimizing procedures and carbon-sulfur analyzer, we have built a novel Wang-Xu-Yuan method (the WXY method) for measuring the contents of total organic carbon or black carbon in marine sediment cores, which includes the procedures of pretreatment, weighing, acidification, chemothermal oxidation and quantification; and can fully meet the requirements of establishing their highresolution temporal sequences, whatever in the recovery, experimental efficiency, accuracy and reliability of the measurements, and homogeneity of samples. In particular, the usage of disposable ceramic crucibles leads to evidently simplify the experimental scenario, which further results in the very high recovery rates for total organic carbon and black carbon. This new technique may provide a significant support for

  13. A Simple Halide-to-Anion Exchange Method for Heteroaromatic Salts and Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Neus Mesquida

    2012-04-01

    Full Text Available A broad and simple method permitted halide ions in quaternary heteroaromatic and ammonium salts to be exchanged for a variety of anions using an anion exchange resin (A− form in non-aqueous media. The anion loading of the AER (OH− form was examined using two different anion sources, acids or ammonium salts, and changing the polarity of the solvents. The AER (A− form method in organic solvents was then applied to several quaternary heteroaromatic salts and ILs, and the anion exchange proceeded in excellent to quantitative yields, concomitantly removing halide impurities. Relying on the hydrophobicity of the targeted ion pair for the counteranion swap, organic solvents with variable polarity were used, such as CH3OH, CH3CN and the dipolar nonhydroxylic solvent mixture CH3CN:CH2Cl2 (3:7 and the anion exchange was equally successful with both lipophilic cations and anions.

  14. Two Methods of Determining Total Phenolic Content of Foods and Juices in a General, Organic, and Biological (GOB) Chemistry Lab

    Science.gov (United States)

    Shaver, Lee Alan; Leung, Sam H.; Puderbaugh, Amy; Angel, Stephen A.

    2011-01-01

    The determination of total phenolics in foods and fruit juices was used successfully as a laboratory experiment in our undergraduate general, organic, and biological (GOB) chemistry course. Two different colorimetric methods were used over three years and comparative student results indicate that a ferrous ammonium sulfate (FAS) indicator…

  15. Total Oxidation of Model Volatile Organic Compounds over Some Commercial Catalysts

    Czech Academy of Sciences Publication Activity Database

    Matějová, Lenka; Topka, Pavel; Jirátová, Květa; Šolcová, Olga

    2012-01-01

    Roč. 443, NOV 7 (2012), s. 40-49 ISSN 0926-860X R&D Projects: GA MPO FR-TI1/059 Institutional support: RVO:67985858 Keywords : volatile organic compounds * oxidation * ethanol Subject RIV: DM - Solid Waste and Recycling Impact factor: 3.410, year: 2012

  16. INVESTIGATION OF THE TOTAL ORGANIC HALOGEN ANALYTICAL METHOD AT THE WASTE SAMPLING AND CHARACTERIZATION FACILITY

    International Nuclear Information System (INIS)

    Douglas, J.G.; Meznarich, H.K.; Olsen, J.R.; Ross, G.A.; Stauffer, M.

    2009-01-01

    Total organic halogen (TOX) is used as a parameter to screen groundwater samples at the Hanford Site. Trending is done for each groundwater well, and changes in TOX and other screening parameters can lead to costly changes in the monitoring protocol. The Waste Sampling and Characterization Facility (WSCF) analyzes groundwater samples for TOX using the United States Environmental Protection Agency (EPA) SW-S46 method 9020B (EPA 1996a). Samples from the Soil and Groundwater Remediation Project (SGRP) are submitted to the WSCF for analysis without information regarding the source of the sample; each sample is in essence a ''blind'' sample to the laboratory. Feedback from the SGRP indicated that some of the WSCF-generated TOX data from groundwater wells had a number of outlier values based on the historical trends (Anastos 200Sa). Additionally, analysts at WSCF observed inconsistent TOX results among field sample replicates. Therefore, the WSCF lab performed an investigation of the TOX analysis to determine the cause of the outlier data points. Two causes were found that contributed to generating out-of-trend TOX data: (1) The presence of inorganic chloride in the groundwater samples: at inorganic chloride concentrations greater than about 10 parts per million (ppm), apparent TOX values increase with increasing chloride concentration. A parallel observation is the increase in apparent breakthrough of TOX from the first to the second activated-carbon adsorption tubes with increasing inorganic chloride concentration. (2) During the sample preparation step, excessive purging of the adsorption tubes with oxygen pressurization gas after sample loading may cause channeling in the activated carbon bed. This channeling leads to poor removal of inorganic chloride during the subsequent wash step with aqueous potassium nitrate. The presence of this residual inorganic chloride then produces erroneously high TOX values. Changes in sample preparation were studied to more effectively

  17. Sequential One-Pot Ruthenium-Catalyzed Azide−Alkyne Cycloaddition from Primary Alkyl Halides and Sodium Azide

    KAUST Repository

    Johansson, Johan R.

    2011-04-01

    An experimentally simple sequential one-pot RuAAC reaction, affording 1,5-disubstituted 1H-1,2,3-triazoles in good to excellent yields starting from an alkyl halide, sodium azide, and an alkyne, is reported. The organic azide is formed in situ by treating the primary alkyl halide with sodium azide in DMA under microwave heating. Subsequent addition of [RuClCp*(PPh 3) 2] and the alkyne yielded the desired cycloaddition product after further microwave irradiation. © 2011 American Chemical Society.

  18. The Relation among School District Health, Total Quality Principles for School Organization and Student Achievement

    Science.gov (United States)

    Marshall, Jon; Pritchard, Ruie; Gunderson, Betsey

    2004-01-01

    The purpose of this study was to determine the congruence among W. E. Deming's 14 points for Total Quality Management (TQM), the organizational health of school districts, and student achievement. Based on Kanter's (1983) concept of a Culture of Pride with a Climate of Success, healthy districts were defined as having an organizational culture…

  19. Quality Control of Gamma Irradiated Dwarf Mallow (Malva neglecta Wallr.) Based on Color, Organic Acids, Total Phenolics and Antioxidant Parameters.

    Science.gov (United States)

    Pinela, José; Barros, Lillian; Antonio, Amilcar L; Carvalho, Ana Maria; Oliveira, M Beatriz P P; Ferreira, Isabel C F R

    2016-04-08

    This study addresses the effects of gamma irradiation (1, 5 and 8 kGy) on color, organic acids, total phenolics, total flavonoids, and antioxidant activity of dwarf mallow (Malva neglecta Wallr.). Organic acids were analyzed by ultra fast liquid chromatography (UFLC) coupled to a photodiode array (PDA) detector. Total phenolics and flavonoids were measured by the Folin-Ciocalteu and aluminium chloride colorimetric methods, respectively. The antioxidant activity was evaluated based on the DPPH(•) scavenging activity, reducing power, β-carotene bleaching inhibition and thiobarbituric acid reactive substances (TBARS) formation inhibition. Analyses were performed in the non-irradiated and irradiated plant material, as well as in decoctions obtained from the same samples. The total amounts of organic acids and phenolics recorded in decocted extracts were always higher than those found in the plant material or hydromethanolic extracts, respectively. The DPPH(•) scavenging activity and reducing power were also higher in decocted extracts. The assayed irradiation doses affected differently the organic acids profile. The levels of total phenolics and flavonoids were lower in the hydromethanolic extracts prepared from samples irradiated at 1 kGy (dose that induced color changes) and in decocted extracts prepared from those irradiated at 8 kGy. The last samples also showed a lower antioxidant activity. In turn, irradiation at 5 kGy favored the amounts of total phenolics and flavonoids. Overall, this study contributes to the understanding of the effects of irradiation in indicators of dwarf mallow quality, and highlighted the decoctions for its antioxidant properties.

  20. CuI-Catalyzed: One-Pot Synthesis of Diaryl Disulfides from Aryl Halides and Carbon Disulfide

    Directory of Open Access Journals (Sweden)

    Mohammad Soleiman-Beigi

    2013-01-01

    Full Text Available A new application of carbon disulfide in the presence of KF/Al2O3 is reported for the synthesis of organic symmetrical diaryl disulfides. These products were synthesized by one-pot reaction of aryl halides with the in situ generated trithiocarbonate ion in the presence of copper under air atmosphere.

  1. Determination of total and extractable hydrogen peroxide in organic and aqueous solutions of uranyl nitrate

    International Nuclear Information System (INIS)

    Goodall, Ph.

    1999-01-01

    The development of a spectrophotometric method for the determination of hydrogen peroxide in uranyl nitrate solutions is reported. The method involves the measurement of the absorbance at 520 mm of a vanadyl peroxide species. This species was formed by the addition of a reagent consisting of vanadium (V) (50 mmol x dm -3 ) in dilute sulphuric acid (2 mol x dm -3 H 2 SO 4 ). This reagent, after dilution, was also used as an extractant for organic phase samples. The method is simple and robust and tolerant of nitric acid and U(VI). Specificity and accuracy were improved by the application of solid phase extraction techniques to remove entrained organic solvents and Pu(VI). Reverse phase solid phase extraction was used to clean-up aqueous samples or extracts which were contaminated with entrained solvent. A solid phase extraction system based upon an extraction chromatography system was used to remove Pu(IV). Detection limits of 26 μmol x dm -3 (0.88 μg x cm -3 ) or 7 μmol x dm -3 (0.24 μg x cm -3 ) for, respectively, a 1 and 4 cm path length cell were obtained. Precisions of RSD = 1.4% and 19.5% were obtained at the extremes of the calibration curve (5 mmol x dm -3 and 50 μmol x dm -3 H 2 O 2 , 1 cm cell). The introduction of the extraction and clean-up stages had a negligible effect upon the precision of the determination. The stability of an organic phase sample was tested and no loss of analyte could be discerned over a period of at least 5 days. (author)

  2. Total organic carbon and humus fractions in restored soils from limestone quarries in semiarid climate, SE Spain

    Science.gov (United States)

    Luna Ramos, Lourdes; Miralles Mellado, Isabel; Ángel Domene Ruiz, Miguel; Solé Benet, Albert

    2016-04-01

    Mining activities generate erosion and loss of plant cover and soil organic matter (SOM), especially in arid and semiarid Mediterranean regions. A precondition for ecosystem restoration in such highly disturbed areas is the development of functional soils with sufficient organic matter. But the SOM quality is also important to long-term C stabilization. The resistance to biodegradation of recalcitrant organic matter fractions has been reported to depend on some intrinsic structural factors of humic acid substances and formation of amorphous organo-mineral recalcitrant complexes. In an experimental soil restoration in limestone quarries in the Sierra de Gádor (Almería), SE Spain, several combinations of organic amendments (sewage sludge and compost from domestic organic waste) and mulches (gravel and woodchip) were added in experimental plots using a factorial design. In each plot, 75 native plants (Anthyllis cytisoides, A. terniflora and Macrochloa tenacissima) were planted and five years after the start of the experiment total organic carbon (TOC), physico-chemical soil properties and organic C fractions (particulate organic matter, H3PO4-fulvic fraction, fulvic acids (FA), humic acids (HA) and humin) were analyzed. We observed significant differences between treatments related to the TOC content and the HA/FA ratio. Compost amendments increased the TOC, HA content and HA/FA ratio, even higher than in natural undisturbed soils, indicating an effective clay humus-complex pointing to progressively increasing organic matter quality. Soils with sewage sludge showed the lowest TOC and HA/FA ratio and accumulated a lower HA proportion indicating poorer organic matter quality and comparatively lower resilience than in natural soils and soils amended with compost.

  3. The coacervation of aqueous solutions of tetraalkylammonium halides

    International Nuclear Information System (INIS)

    Mugnier de Trobriand, Anne.

    1979-09-01

    The coacervation of aqueous solutions of tatraalkylammonium halides in the presence of not of inorganic halides and acids has been studied, considering thermodynamic and spectroscopic aspects. The importance of dispersion forces as well as forces resulting from hydrophobic hydration has been assessed. The analogy between these systems and anionic ion exchange resins has been shown especially for Uranium VI extraction [fr

  4. Definition of a high intensity metal halide discharge reference lamp

    NARCIS (Netherlands)

    Stoffels, W.W.; Baede, A.H.F.M.; Mullen, van der J.J.A.M.; Haverlag, M.; Zissis, G.

    2006-01-01

    The design of a ref. metal halide discharge lamp is presented. This lamp is meant as a common study object for researchers working on metal halide discharge lamps, who by using the same design will be able to compare results between research groups, diagnostic techniques and numerical models. The

  5. 7S’s System Foundation of Total Productive Maintenance House for Lean Organization

    Directory of Open Access Journals (Sweden)

    Georgescu Daniel

    2009-12-01

    Full Text Available The goal of Lean TPM or TPM for lean organization approach is maintaining international competitiveness . This Lean TPM from our article, approach proposes tree additions to the current understanding of the TPM system: the 7Ss as a critical first step in any improvement program; instant maintenance; improvement setup operations. A company cannot make business gains solely by using cost-cutting measures because it cannot cost enough to become a world-class competitor. Instead, it must invest resources in productivity improvement. This generally increases factory throughput and cuts costs at the same time. Maintaining equipment in its optimal state and continually improving its productivity is the whole strategy behind TPM. The main objective of the 7S system is to grow the value added to each worker. To grow the added value, we must create ordered and well adjusted production lines based on the principles of the 7S’s: organization and order. Above all these two S’s bring to the factory standard positions and acknowledgement. Focus on the first two S’s brings a new perspective on understanding the 7S’s.

  6. Triangular SPECT system for 3-D total organ volume imaging: Design concept and preliminary imaging results

    International Nuclear Information System (INIS)

    Lim, C.B.; Anderson, J.; Covic, J.

    1985-01-01

    SPECT systems based on 2-D detectors for projection data collection and filtered back-projection image reconstruction have the potential for true 3-D imaging, providing contiguous slice images in any orientation. Anger camera-based SPECT systems have the natural advantage supporting planar imaging clinical procedures. However, current systems suffer from two drawbacks; poor utilization of emitted photons, and inadequate system design for SPECT. A SPECT system consisting of three rectangular cameras with radial translation would offer the variable cylindrical FOV of 25 cm to 40 cm diameter allowing close detector access to the object. This system would provide optimized imaging for both brain and body organs in terms of sensitivity and resolution. For brain imaging a tight detector triangle with fan beam collimation, matching detector UFOV to the head, allows full 2 π utilization of emitted photons, resulting in >4 times sensitivity increase over the single detector system. Minification of intrinsic detector resolution in fan beam collimation further improves system resolution. For body organ imaging the three detectors with parallel hole collimators, rotating in non-circular orbit, provide both improved resolution and three-fold sensitivity increase. Practical challenges lie in ensuring perfect image overlap from three detectors without resolution degradation and artifact generation in order to benefit from the above improvements. An experimental system has been developed to test the above imaging concept and we have successfully demonstrated the superior image quality of the overlapped images. Design concept will be presented with preliminary imaging results

  7. Halide based MBE of crystalline metals and oxides

    Energy Technology Data Exchange (ETDEWEB)

    Greenlee, Jordan D.; Calley, W. Laws; Henderson, Walter; Doolittle, W. Alan [Georgia Institute of Technology, School of Electrical and Computer Engineering, Atlanta, Georgia (United States)

    2012-02-15

    A halide based growth chemistry has been demonstrated which can deliver a range of transition metals using low to moderate effusion cell temperatures (30-700 C) even for high melting point metals. Previously, growth with transition metal species required difficult to control electron beam or impurity inducing metal organic sources. Both crystalline oxide and metal films exhibiting excellent crystal quality are grown using this halide-based growth chemistry. Films are grown using a plasma assisted Molecular Beam Epitaxy (MBE) system with metal-chloride precursors. Crystalline niobium, cobalt, iron, and nickel were grown using this chemistry but the technology can be generalized to almost any metal for which a chloride precursor is available. Additionally, the oxides LiNbO{sub 3} and LiNbO{sub 2} were grown with films exhibiting X-ray diffraction (XRD) rocking curve full-widths at half maximum of 150 and 190 arcseconds respectively. LiNbO{sub 2} films demonstrate a memristive response due to the rapid movement of lithium in the layered crystal structure. The rapid movement of lithium ions in LiNbO{sub 2} memristors is characterized using impedance spectroscopy measurements. The impedance spectroscopy measurements suggest an ionic current of.1 mA for a small drive voltage of 5 mV AC or equivalently an ionic current density of {proportional_to}87 A/cm{sup 2}. This high ionic current density coupled with low charge transfer resistance of {proportional_to}16.5 {omega} and a high relaxation frequency (6.6 MHz) makes this single crystal material appealing for battery applications in addition to memristors. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Supported Mixed Oxide Catalysts for the Total Oxidation of Volatile Organic Compounds

    Czech Academy of Sciences Publication Activity Database

    Kovanda, F.; Jirátová, Květa

    2011-01-01

    Roč. 176, č. 1 (2011), s. 110-115 ISSN 0920-5861. [International Symposium on Air Pollution Abatement Catalysis (APAC) /2./. Cracow, 08.09.2010-10.09.2010] R&D Projects: GA ČR GAP106/10/1762; GA ČR GA106/09/1664 Institutional research plan: CEZ:AV0Z40720504 Keywords : layered double hydroxides * mixed oxides * ethanol total oxidation Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.407, year: 2011

  9. Threshold photoelectron spectroscopy and photoionization total ion yield spectroscopy of simple organic acids, aldehydes, ketones and amines

    International Nuclear Information System (INIS)

    Yencha, Andrew J; Malins, Andrew E R; Siggel-King, Michele R F; Eypper, Marie; King, George C

    2009-01-01

    We have initiated a research program to investigate the ionization behavior of some simple organic molecules containing the carboxyl group (R 2 C=O), where R could be H, OH, NH 2 , or CH 3 or other aliphatic or aromatic carbon groups, using threshold photoelectron spectroscopy and photoionization total ion yield spectroscopy. We report here on the simplest organic acid, formic acid, and two simple aldehydes: acetaldehyde and the simplest unsaturated aldehyde, 2-propenal (acrolein). The objective of this study was to characterize the valence cationic states of these molecules with vibrational structural resolution.

  10. Radiation damage in the alkali halide crystals

    International Nuclear Information System (INIS)

    Diller, K.M.

    1975-10-01

    A general review is given of the experimental data on radiation damage in the alkali halide crystals. A report is presented of an experimental investigation of irradiation produced interstitial dislocation loops in NaCl. These loops are found to exhibit the usual growth and coarsening behaviour during thermal annealing which operates by a glide and self-climb mechanism. It is shown that the recombination of defects in these crystals is a two stage process, and that the loss of interstitials stabilized at the loops is caused by extrinsic vacancies. The theoretical techniques used in simulating point defects in ionic crystals are described. Shell model potentials are derived for all the alkali halide crystals by fitting to bulk crystal data. The fitting is supplemented by calculations of the repulsive second neighbour interactions using methods based on the simple electron gas model. The properties of intrinsic and substitutional impurity defects are calculated. The HADES computer program is used in all the defect calculations. Finally the report returns to the problems of irradiation produced interstitial defects. The properties of H centres are discussed; their structure, formation energies, trapping at impurities and dimerization. The structure, formation energies and mobility of the intermediate and final molecular defects are then discussed. The thermodynamics of interstitial loop formation is considered for all the alklai halide crystals. The nucleation of interstitial loops in NaCl and NaBr is discussed, and the recombination of interstitial and vacancy defects. The models are found to account for all the main features of the experimental data. (author)

  11. Research Update: Luminescence in lead halide perovskites

    Directory of Open Access Journals (Sweden)

    Ajay Ram Srimath Kandada

    2016-09-01

    Full Text Available Efficiency and dynamics of radiative recombination of carriers are crucial figures of merit for optoelectronic materials. Following the recent success of lead halide perovskites in efficient photovoltaic and light emitting technologies, here we review some of the noted literature on the luminescence of this emerging class of materials. After outlining the theoretical formalism that is currently used to explain the carrier recombination dynamics, we review a few significant works which use photoluminescence as a tool to understand and optimize the operation of perovskite based optoelectronic devices.

  12. Exciton-relaxation dynamics in lead halides

    International Nuclear Information System (INIS)

    Iwanaga, Masanobu; Hayashi, Tetsusuke

    2003-01-01

    We survey recent comprehensive studies of exciton relaxation in the crystals of lead halides. The luminescence and electron-spin-resonance studies have revealed that excitons in lead bromide spontaneously dissociate and both electrons and holes get self-trapped individually. Similar relaxation has been also clarified in lead chloride. The electron-hole separation is ascribed to repulsive correlation via acoustic phonons. Besides, on the basis of the temperature profiles of self-trapped states, we discuss the origin of luminescence components which are mainly induced under one-photon excitation into the exciton band in lead fluoride, lead chloride, and lead bromide

  13. Levels of total mercury in marine organisms from Adriatic Sea, Italy.

    Science.gov (United States)

    Perugini, Monia; Visciano, Pierina; Manera, Maurizio; Zaccaroni, Annalisa; Olivieri, Vincenzo; Amorena, Michele

    2009-08-01

    The presence of total mercury in fish, crustacean and cephalopod from Adriatic Sea, was investigated. The highest concentrations were observed in decreasing order in: Norway lobster (0.97 +/- 0.24 mg/kg; mean +/- SE), European hake (0.59 +/- 0.14 mg/kg), red mullet (0.48 +/- 0.09 mg/kg), blue whiting (0.38 +/- 0.09 mg/kg), Atlantic mackerel (0.36 +/- 0.08 mg/kg) and European flying squid (0.25 +/- 0.03 mg/kg). A significant difference (p fish and fishery products can exceed the maximum levels and stress the need of more information for consumers in particular for people that eat large amount of fish.

  14. The alkali halide disk technique in infra-red spectrometry : Anomalous behaviour of some samples dispersed in alkali halide disks

    NARCIS (Netherlands)

    Tolk, A.

    1961-01-01

    Some difficulties encountered in the application of the alkali halide disk technique in infra-red spectrometry are discussed. Complications due to interaction of the sample with the alkali halide have been studied experimentally. It was found that the anomalous behaviour of benzoic acid, succinic

  15. Biogenic Methane Generation Potential in the Eastern Nankai Trough, Japan: Effect of Reaction Temperature and Total Organic Carbon

    Science.gov (United States)

    Aung, T. T.; Fujii, T.; Amo, M.; Suzuki, K.

    2017-12-01

    Understanding potential of methane flux from the Pleistocene fore-arc basin filled turbiditic sedimentary formation along the eastern Nankai Trough is important in the quantitative assessment of gas hydrate resources. We considered generated methane could exist in sedimentary basin in the forms of three major components, and those are methane in methane hydrate, free gas and methane dissolved in water. Generation of biomethane strongly depends on microbe activity and microbes in turn survive in diverse range of temperature, salinity and pH. This study aims to understand effect of reaction temperature and total organic carbon on generation of biomethane and its components. Biomarker analysis and cultural experiment results of the core samples from the eastern Nankai Trough reveal that methane generation rate gets peak at various temperature ranging12.5°to 35°. Simulation study of biomethane generation was made using commercial basin scale simulator, PetroMod, with different reaction temperature and total organic carbon to predict how these effect on generation of biomethane. Reaction model is set by Gaussian distribution with constant hydrogen index and standard deviation of 1. Series of simulation cases with peak reaction temperature ranging 12.5°to 35° and total organic carbon of 0.6% to 3% were conducted and analyzed. Simulation results show that linear decrease in generation potential while increasing reaction temperature. But decreasing amount becomes larger in the model with higher total organic carbon. At higher reaction temperatures, >30°, extremely low generation potential was found. This is due to the fact that the source formation modeled is less than 1 km in thickness and most of formation do not reach temperature more than 30°. In terms of the components, methane in methane hydrate and free methane increase with increasing TOC. Drastic increase in free methane was observed in the model with 3% of TOC. Methane amount dissolved in water shows almost

  16. Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

    Energy Technology Data Exchange (ETDEWEB)

    Schurz, Christian M.; Shlyk, Larysa; Schleid, Thomas; Niewa, Rainer [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2011-07-01

    Two different polymorphs of the metal nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I) are known to crystallize in layered structures. The two crystal structures differ in the way {sub {infinity}}{sup 2}{l_brace}X[M{sub 2}N{sub 2}]X{r_brace} slabs are stacked along the c-axes. Metal atoms and/or organic molecules can be intercalated into the van-der-Waals gap between these layers. After such an electron-doping via intercalation the prototypic band insulators change into superconductors with moderate high critical temperatures T{sub c} up to 25.5 K. This review gathers information on synthesis routes, structural characteristics and properties of the prototypic nitride halides and the derivatives after electron-doping with a focus on superconductivity. (orig.)

  17. Composition-Dependent Energy Splitting between Bright and Dark Excitons in Lead Halide Perovskite Nanocrystals.

    Science.gov (United States)

    Chen, Lan; Li, Bin; Zhang, Chunfeng; Huang, Xinyu; Wang, Xiaoyong; Xiao, Min

    2018-03-14

    Perovskite semiconductor nanocrystals with different compositions have shown promise for applications in light-emitting devices. Dark excitonic states may suppress light emission from such nanocrystals by providing an additional nonradiative recombination channel. Here, we study the composition dependence of dark exciton dynamics in nanocrystals of lead halides by time-resolved photoluminescence spectroscopy at cryogenic temperatures. The presence of a spin-related dark state is revealed by magneto-optical spectroscopy. The energy splitting between bright and dark states is found to be highly sensitive to both halide elements and organic cations, which is explained by considering the effects of size confinement and charge screening, respectively, on the exchange interaction. These findings suggest the possibility of manipulating dark exciton dynamics in perovskite semiconductor nanocrystals by composition engineering, which will be instrumental in the design of highly efficient light-emitting devices.

  18. White-Light Emission from Layered Halide Perovskites.

    Science.gov (United States)

    Smith, Matthew D; Karunadasa, Hemamala I

    2018-03-20

    With nearly 20% of global electricity consumed by lighting, more efficient illumination sources can enable massive energy savings. However, effectively creating the high-quality white light required for indoor illumination remains a challenge. To accurately represent color, the illumination source must provide photons with all the energies visible to our eye. Such a broad emission is difficult to achieve from a single material. In commercial white-light sources, one or more light-emitting diodes, coated by one or more phosphors, yield a combined emission that appears white. However, combining emitters leads to changes in the emission color over time due to the unequal degradation rates of the emitters and efficiency losses due to overlapping absorption and emission energies of the different components. A single material that emits broadband white light (a continuous emission spanning 400-700 nm) would obviate these problems. In 2014, we described broadband white-light emission upon near-UV excitation from three new layered perovskites. To date, nine white-light-emitting perovskites have been reported by us and others, making this a burgeoning field of study. This Account outlines our work on understanding how a bulk material, with no obvious emissive sites, can emit every color of the visible spectrum. Although the initial discoveries were fortuitous, our understanding of the emission mechanism and identification of structural parameters that correlate with the broad emission have now positioned us to design white-light emitters. Layered hybrid halide perovskites feature anionic layers of corner-sharing metal-halide octahedra partitioned by organic cations. The narrow, room-temperature photoluminescence of lead-halide perovskites has been studied for several decades, and attributed to the radiative recombination of free excitons (excited electron-hole pairs). We proposed that the broad white emission we observed primarily stems from exciton self-trapping. Here, the

  19. Hybrid Lead Halide Perovskites for Ultrasensitive Photoactive Switching in Terahertz Metamaterial Devices.

    Science.gov (United States)

    Manjappa, Manukumara; Srivastava, Yogesh Kumar; Solanki, Ankur; Kumar, Abhishek; Sum, Tze Chien; Singh, Ranjan

    2017-08-01

    The recent meteoric rise in the field of photovoltaics with the discovery of highly efficient solar-cell devices is inspired by solution-processed organic-inorganic lead halide perovskites that exhibit unprecedented light-to-electricity conversion efficiencies. The stunning performance of perovskites is attributed to their strong photoresponsive properties that are thoroughly utilized in designing excellent perovskite solar cells, light-emitting diodes, infrared lasers, and ultrafast photodetectors. However, optoelectronic application of halide perovskites in realizing highly efficient subwavelength photonic devices has remained a challenge. Here, the remarkable photoconductivity of organic-inorganic lead halide perovskites is exploited to demonstrate a hybrid perovskite-metamaterial device that shows extremely low power photoswitching of the metamaterial resonances in the terahertz part of the electromagnetic spectrum. Furthermore, a signature of a coupled phonon-metamaterial resonance is observed at higher pump powers, where the Fano resonance amplitude is extremely weak. In addition, a low threshold, dynamic control of the highly confined electric field intensity is also observed in the system, which could tremendously benefit the new generation of subwavelength photonic devices as active sensors, low threshold optically controlled lasers, and active nonlinear devices with enhanced functionalities in the infrared, optical, and the terahertz parts of the electromagnetic spectrum. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. The organic contamination level based on the total soil mass is not a proper index of the soil contamination intensity

    Science.gov (United States)

    Hung, H.-W.; Daniel, Sheng G.; Lin, T.-F.; Su, Y.; Chiou, C.T.

    2009-01-01

    Concentrations of organic contaminants in common productive soils based on the total soil mass give a misleading account of actual contamination effects. This is attributed to the fact that productive soils are essentially water-saturated, with the result that the soil uptake of organic compounds occurs principally by partition into the soil organic matter (SOM). This report illustrates that the soil contamination intensity of a compound is governed by the concentration in the SOM (Com) rather than by the concentration in whole soil (Cs). Supporting data consist of the measured levels and toxicities of many pesticides in soils of widely differing SOM contents and the related levels in in-situ crops that defy explanation by the Cs values. This SOM-based index is timely needed for evaluating the contamination effects of food crops grown in different soils and for establishing a dependable priority ranking for intended remediation of numerous contamination sites.

  1. Halide test agent replacement study

    Energy Technology Data Exchange (ETDEWEB)

    Banks, E.M.; Freeman, W.P.; Kovach, B.J. [and others

    1995-02-01

    The intended phaseout of the chlorofluorocarbons (CFCs) from commercial use required the evaluation of substitute materials for the testing for leak paths through both individual adsorbers and installed adsorbent banks. The American Society of Mechanical Engineers (ASME) Committee on Nuclear Air and Gas Treatment (CONAGT) is in charge of maintaining the standards and codes specifying adsorbent leak test methods for the nuclear safety related air cleaning systems. The currently published standards and codes cite the use of R-11, R-12 and R-112 for leak path test agents. All of these compounds are CFCs. There are other agencies and organizations (USDOE, USDOD and USNRC) also specifying testing for leak paths or in some cases for special life tests using the above compounds. The CONAGT has recently developed criteria for the suitability evaluation of substitute test agents. On the basis of these criteria, several compounds were evaluated for their acceptability as adsorbent bed leak and life test agents. The ASME CONAGT Test Agent Qualification Criteria. The test agent qualification is based on the following parameters: (1) Similar retention times on activated carbons at the same concentration levels as one of the following: R-11, R-12, R-112 or R-112a. (2) Similar lower detection limit sensitivity and precision in the concentration range of use as R-11, R-12, R-112 and R-112a. (3) Gives the same in-place leak test results as R-11, R-12, R-112, or R-112a. (4) Chemical and radiological stability under the use conditions. (5) Causes no degradation of the carbon and its impregnant or of the other NATS components under the use conditions. (6) Is listed in the USEPA Toxic Substances Control Act (TSCA) inventory for commercial use.

  2. Impact of total organic carbon (in sediments) and dissolved organic carbon (in overlying water column) on Hg sequestration by coastal sediments from the central east coast of India

    Digital Repository Service at National Institute of Oceanography (India)

    Chakrabortya, P.; Sharma, B.M.; Babu, P.V.R.; Yao, K.M.; Jaychandran, S.

    , 1991; Liu et al., 2006; Tack and Verloo, 1995). Mercury accumulates in sediment globally from many physical, chemical, biological, geological and anthropogenic environmental processes. Thus, sediment can be a good indicator of water quality of a...-Black method (Schumacher, 2002). This method has been widely used for the determination of total organic carbon in the soil and sediments. 3.0 Results and discussion The general description and texture analysis of the studied sediments are presented...

  3. Finding New Perovskite Halides via Machine learning

    Directory of Open Access Journals (Sweden)

    Ghanshyam ePilania

    2016-04-01

    Full Text Available Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach towards rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning via building a support vector machine (SVM based classifier that uses elemental features (or descriptors to predict the formability of a given ABX3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br or I anion in the perovskite crystal structure. The classification model is built by learning from a dataset of 181 experimentally known ABX3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. The trained and validated models then predict, with a high degree of confidence, several novel ABX3 compositions with perovskite crystal structure.

  4. Finding New Perovskite Halides via Machine learning

    Science.gov (United States)

    Pilania, Ghanshyam; Balachandran, Prasanna V.; Kim, Chiho; Lookman, Turab

    2016-04-01

    Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach towards rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning) via building a support vector machine (SVM) based classifier that uses elemental features (or descriptors) to predict the formability of a given ABX3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br or I anion) in the perovskite crystal structure. The classification model is built by learning from a dataset of 181 experimentally known ABX3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. The trained and validated models then predict, with a high degree of confidence, several novel ABX3 compositions with perovskite crystal structure.

  5. Natural Product Total Synthesis in the Organic Laboratory: Total Synthesis of Caffeic Acid Phenethyl Ester (CAPE), a Potent 5-Lipoxygenase Inhibitor from Honeybee Hives

    Science.gov (United States)

    Touaibia, Mohamed; Guay, Michel

    2011-01-01

    Natural products play a critical role in modern organic synthesis and learning synthetic techniques is an important component of the organic laboratory experience. In addition to traditional one-step organic synthesis laboratories, a multistep natural product synthesis is an interesting experiment to challenge students. The proposed three-step…

  6. Synthesis, Reactivity and Stability of Aryl Halide Protecting Groups towards Di-Substituted Pyridines

    Directory of Open Access Journals (Sweden)

    Ptoton Mnangat Brian

    2016-03-01

    Full Text Available This paper reports the synthesis and reactivity of different Benzyl derivative protecting groups. The synthesis and stability of Benzyl halides, 4-methoxybenzyl halides, 3,5-dimethoxybenzyl halides, 3,4-dimethoxybenzyl halides, 3,4,5-trimethoxybenzyl halide protecting groups and their reactivity towards nitrogen atom of a di-substituted pyridine ring in formation of pyridinium salts is also reported.

  7. Distribution of Total and Organic Mercury in Superficial Soils in the Upper Manzanares River Watershed, Sucre State, Venezuela

    Directory of Open Access Journals (Sweden)

    Yahsé Rojas Challa

    2008-01-01

    Full Text Available Total and organic mercury contents were determined from samples of surface soils (0-5 cm, sieved at ≤ 63µm, collected from 10 different locations in the upper Manzanares River watershed, using cold vapor atomic absorption spectroscopy. Methylmercury was determined using a HPLC-UV detector. The mean total mercury concentration was 1.3 μg.g-1, a value permitted by the Canadian environment quality guidelines for farming soils, but high for European standards. Using certified reference materials, we verified that a modification of the method described by Qian et al. (2000 was effective for organic mercury extraction, with a recovery of 92.17% for DORM-2 and 92.11% for TORT-2. This modified method was applied to soil samples, obtaining concentrations of 0.5-1.0 μg.g-1 of organic mercury. The parameters for determining methylmercury using HPLC-UV were optimized; the best results were obtained with a 4.6 mm x 25 cm Zorbax CN column, with a mobile phase of 70/30 V/V of methanol: ammonium acetate 0.05 mol.l-1, with a flow rate of 0.5 ml.min-1; the methylmercury was detected at 4.99 min retention time. Methylmercury was not found in the soil samples. Using the certified reference material we proved that the method used produced reliable results. The analysis confirmed the existence of mercury in this farming area.

  8. [Study of relationship between consumption of potassium permanganate and total organic carbon on plastic kitchen utensils, food packages and toys].

    Science.gov (United States)

    Ohno, Hiroyuki; Suzuki, Masako; Mutsuga, Motoh; Kawamura, Yoko

    2009-10-01

    Consumption of potassium permanganate and total organic carbon (TOC) were investigated as indices of total organic matter migrated into water from plastic kitchen utensils, food packages and toys for children. The samples were soaked in water at 60 or 95 degrees C for 30 min for kitchen utensils and food packages, and at 40 degrees C for 30 min for toys and the eluates were examined, using the two indices. The quantitation limits were both 0.5 microg/mL. Among 97 kitchen utensils and food packages tested, consumption of potassium permanganate and TOC were 0.5-10.9 microg/mL and ND-18.9 microg/mL for polyvinyl chloride (PVC) tea-pot spouts and nylon kitchen utensils, respectively. Among 32 toys tested, the levels were 0.8-45.5 microg/mL and 0.5-8.9 microg/mL from PVC toys and block toys made by ethylene vinyl acetate resin. The levels for other samples were very low. There were large discrepancies between consumption of potassium permanganate and TOC for some PVC products and nylon kitchen utensils. The cause may be a marked difference of the oxidation decomposition rate by potassium permanganate, depending on the kind of organic matter that migrated from the plastics.

  9. The CP molecule labyrinth: a paradigm of how endeavors in total synthesis lead to discoveries and inventions in organic synthesis.

    Science.gov (United States)

    Nicolaou, K C; Baran, Phil S

    2002-08-02

    Imagine an artist carving a sculpture from a marble slab and finding gold nuggets in the process. This thought is not a far-fetched description of the work of a synthetic chemist pursuing the total synthesis of a natural product. At the end of the day, he or she will be judged by the artistry of the final work and the weight of the gold discovered in the process. However, as colorful as this description of total synthesis may be, it does not entirely capture the essence of the endeavor, for there is much more to be told, especially with regard to the contrast of frustrating failures and exhilarating moments of discovery. To fully appreciate the often Herculean nature of the task and the rewards that accompany it, one must sense the details of the enterprise behind the scenes. A more vivid description of total synthesis as a struggle against a tough opponent is perhaps appropriate to dramatize these elements of the experience. In this article we describe one such endeavor of total synthesis which, in addition to reaching the target molecule, resulted in a wealth of new synthetic strategies and technologies for chemical synthesis. The total synthesis of the CP molecules is compared to Theseus' most celebrated athlos (Greek for exploit, accomplishment): the conquest of the dreaded Minotaur, which he accomplished through brilliance, skill, and bravery having traversed the famous labyrinth with the help of Ariadne. This story from Greek mythology comes alive in modern synthetic expeditions toward natural products as exemplified by the total synthesis of the CP molecules which serve as a paradigm for modern total synthesis endeavors, where the objectives are discovery and invention in the broader sense of organic synthesis.

  10. The creation of defects in ammonium halides by excitons

    International Nuclear Information System (INIS)

    Kim, L.M.

    2002-01-01

    The ammonium halides crystals and alkali halides crystals are analogous by kind chemical bonds and crystalline lattices. The anionic sublattice is identical in this crystals. It is known the main mechanism of defect creation by irradiation is radiationless decay of excitons in alkali halides crystals. The F-, H-centers are formation in this processes. However, F, H-centres are not detected in ammonium halides. The goal of this work is investigation the creation of defects in ammonium halides by excitons. We established that excitons in ammonium chlorides and bromides are similar to excitons in alkali halides. It is known excitons are self-trapped and have identical parameters of the exciton-phonon interaction in both kind crystals. It is supposed, that processes of radiationless disintegration of excitons are identical in ammonium and alkali halides. It is necessary to understand why F-, H-centers are absent in ammonium halides. V k -centres are created by the excitation of the ammonium halides crystals in the absorption band of excitons. It was established by thermoluminescence and spectrums of absorption. The V k -centers begin to migrate at 110-120 K in ammonium chlorides and bromides. The curve of thermoluminescence have peak with maximum at this temperatures. It is known V k -centers in ammonium chlorides have the absorption band at 380 nm. We discovered this absorption band after irradiation of crystals by ultra-violet. In alkali halides F-center is anionic vacancy with electron. The wave function of electron are spread ed at the cations around anionic vacancy. We established the cation NH 4 + in ammonium halides can to capture electron. The ion NH 4 2+ is unsteady. It is disintegrated to NH 3 + and H + . We suppose that excitons in ammonium and alkali halides are disintegrated identically. When cation NH 4 + capture electron, in the anionic sublattice the configuration are created in a direction (100) The indicated configuration is unsteady in relation to a

  11. Treatment of alcaline metals halides for developing crystals

    International Nuclear Information System (INIS)

    Spurney, R.W.

    1974-01-01

    A process is described whereby crystals of an alkaline metal halide may be dried and placed in a crucible for development by the Bridgeman-Stockbarger method. Purified alkaline halides from a suspension are dried and formed into dense cakes of transverse section slightly smaller than that of the crucible, where they are packed, melted and grown into crystals according to the Bridgeman-Stockbarger technique. This method applies to the preparation of alkaline halide crystals, particularly sodium iodide for optical elements or scintillation counters [fr

  12. Alkali metal and alkali earth metal gadolinium halide scintillators

    Science.gov (United States)

    Bourret-Courchesne, Edith; Derenzo, Stephen E.; Parms, Shameka; Porter-Chapman, Yetta D.; Wiggins, Latoria K.

    2016-08-02

    The present invention provides for a composition comprising an inorganic scintillator comprising a gadolinium halide, optionally cerium-doped, having the formula A.sub.nGdX.sub.m:Ce; wherein A is nothing, an alkali metal, such as Li or Na, or an alkali earth metal, such as Ba; X is F, Br, Cl, or I; n is an integer from 1 to 2; m is an integer from 4 to 7; and the molar percent of cerium is 0% to 100%. The gadolinium halides or alkali earth metal gadolinium halides are scintillators and produce a bright luminescence upon irradiation by a suitable radiation.

  13. Effects of Annealing Conditions on Mixed Lead Halide Perovskite Solar Cells and Their Thermal Stability Investigation.

    Science.gov (United States)

    Yang, Haifeng; Zhang, Jincheng; Zhang, Chunfu; Chang, Jingjing; Lin, Zhenhua; Chen, Dazheng; Xi, He; Hao, Yue

    2017-07-21

    In this work, efficient mixed organic cation and mixed halide (MA 0.7 FA 0.3 Pb(I 0.9 Br 0.1 )₃) perovskite solar cells are demonstrated by optimizing annealing conditions. AFM, XRD and PL measurements show that there is a better perovskite film quality for the annealing condition at 100 °C for 30 min. The corresponding device exhibits an optimized PCE of 16.76% with V OC of 1.02 V, J SC of 21.55 mA/cm² and FF of 76.27%. More importantly, the mixed lead halide perovskite MA 0.7 FA 0.3 Pb(I 0.9 Br 0.1 )₃ can significantly increase the thermal stability of perovskite film. After being heated at 80 °C for 24 h, the PCE of the MA 0.7 FA 0.3 Pb(I 0.9 Br 0.1 )₃ device still remains at 70.00% of its initial value, which is much better than the control MAPbI₃ device, where only 46.50% of its initial value could be preserved. We also successfully fabricated high-performance flexible mixed lead halide perovskite solar cells based on PEN substrates.

  14. Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation.

    Science.gov (United States)

    Zhao, Xin-Gang; Yang, Ji-Hui; Fu, Yuhao; Yang, Dongwen; Xu, Qiaoling; Yu, Liping; Wei, Su-Huai; Zhang, Lijun

    2017-02-22

    Hybrid organic-inorganic halide perovskites with the prototype material of CH 3 NH 3 PbI 3 have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion efficiency exceeding 20% achieved by their solar cells, two key issues-the poor device stabilities associated with their intrinsic material instability and the toxicity due to water-soluble Pb 2+ -need to be resolved before large-scale commercialization. Here, we address these issues by exploiting the strategy of cation-transmutation to design stable inorganic Pb-free halide perovskites for solar cells. The idea is to convert two divalent Pb 2+ ions into one monovalent M + and one trivalent M 3+ ions, forming a rich class of quaternary halides in double-perovskite structure. We find through first-principles calculations this class of materials have good phase stability against decomposition and wide-range tunable optoelectronic properties. With photovoltaic-functionality-directed materials screening, we identify 11 optimal materials with intrinsic thermodynamic stability, suitable band gaps, small carrier effective masses, and low excitons binding energies as promising candidates to replace Pb-based photovoltaic absorbers in perovskite solar cells. The chemical trends of phase stabilities and electronic properties are also established for this class of materials, offering useful guidance for the development of perovskite solar cells fabricated with them.

  15. Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites.

    Science.gov (United States)

    Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

    2018-02-01

    The performance of lead-halide perovskites in optoelectronic devices is due to a unique combination of factors, including highly efficient generation, transport, and collection of photogenerated charge carriers. The mechanism behind efficient charge generation in lead-halide perovskites is still largely unknown. Here, we investigate the factors that influence the exciton binding energy (E b ) in a series of metal-halide perovskites using accurate first-principles calculations based on solution of the Bethe-Salpeter equation, coupled to ab initio molecular dynamics simulations. We find that E b is strongly modulated by screening from low-energy phonons, which account for a factor ∼2 E b reduction, while dynamic disorder and rotational motion of the organic cations play a minor role. We calculate E b = 15 meV for MAPbI 3 , in excellent agreement with recent experimental estimates. We then explore how different material combinations (e.g., replacing Pb → Pb:Sn→ Sn; and MA → FA → Cs) may lead to different E b values and highlight the mechanisms underlying E b tuning.

  16. Investigation of the Makeup, Source, and Removal Strategies for Total Organic Carbon in the Oxygen Generation System Recirculation Loop

    Science.gov (United States)

    Bowman, Elizabeth M.; Carpenter, Joyce; Roy, Robert J.; Van Keuren, Steve; Wilson, Mark E.

    2015-01-01

    Since 2007, the Oxygen Generation System (OGS) on board the International Space Station (ISS) has been producing oxygen for crew respiration via water electrolysis. As water is consumed in the OGS recirculating water loop, make-up water is furnished by the ISS potable water bus. A rise in Total Organic Carbon (TOC) was observed beginning in February, 2011, which continues through the present date. Increasing TOC is of concern because the organic constituents responsible for the TOC were unknown and had not been identified; hence their impacts on the operation of the electrolytic cell stack components and on microorganism growth rates and types are unknown. Identification of the compounds responsible for the TOC increase, their sources, and estimates of their loadings in the OGA as well as possible mitigation strategies are presented.

  17. An unbiased stereological method for efficiently quantifying the innervation of the heart and other organs based on total length estimations

    DEFF Research Database (Denmark)

    Mühlfeld, Christian; Papadakis, Tamara; Krasteva, Gabriela

    2010-01-01

    Quantitative information about the innervation is essential to analyze the structure-function relationships of organs. So far, there has been no unbiased stereological tool for this purpose. This study presents a new unbiased and efficient method to quantify the total length of axons in a given...... reference volume, illustrated on the left ventricle of the mouse heart. The method is based on the following steps: 1) estimation of the reference volume; 2) randomization of location and orientation using appropriate sampling techniques; 3) counting of nerve fiber profiles hit by a defined test area within...

  18. Surface Sediment Analysis on Petroleum Hydrocarbon and Total Organic Carbon from Coastal Area of Papar to Tuaran, Sabah

    International Nuclear Information System (INIS)

    Siti Aishah Mohd Ali; Payus, C.; Masni Mohd Ali

    2015-01-01

    Total petroleum hydrocarbons (TPH) and total organic carbon (TOC) were investigated in surface sediments along coastal area of Papar to Tuaran, Sabah. Surface sediment samples were collected in 24 different stations in each area by using Ponar grab sampler. Samples were extracted for TPH using standard method sediment/ sludge APHA 5520E and analyzed using UV/VIS spectrophotometer while for TOC method analysis using United Nations Environment Programme (UNEP)/ MAP Athens (2006). The range of TPH concentrations in surface sediments were recorded at 0.24 - 20.65 mg/ kg dw Miri crude oil equivalents, meanwhile the TOC percentage ranged from 0.03 - 4.02 %. In the mean time, the statistical analysis by Pearson correlation showed a positive correlation with coefficient, r = 0.790 which showing the TPH concentrations significantly have influence on the TOC accumulations in the surface sediment. (author)

  19. Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms.

    Science.gov (United States)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J; Vegge, Tejs

    2014-09-28

    Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat to be supplied, making the total efficiency lower. Here, we apply density functional theory (DFT) calculations to predict new mixed metal halide ammines with improved storage capacities and the ability to release the stored ammonia in one step, at temperatures suitable for system integration with polymer electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) - almost 27,000 combinations, and have identified novel mixtures, with significantly improved storage capacities. The size of the search space and the chosen fitness function make it possible to verify that the found candidates are the best possible candidates in the search space, proving that the GA implementation is ideal for this kind of computational materials design, requiring calculations on less than two percent of the candidates to identify the global optimum.

  20. Radiation chemistry of the alkali halides

    International Nuclear Information System (INIS)

    Robinson, V.J.; Chandratillake, M.R.

    1987-01-01

    By far the most thoroughly investigated group of compounds in solid-state radiation chemistry are the alkali halides. Some of the reasons are undoubtedly practical: large single crystals of high purity are readily prepared. The crystals are transparent over a wide range of wavelengths. They are more sensitive to radiation damage than most other ionic solids. The crystals have simple well-defined structures, and the products of radiolysis have also in many cases been clearly identified by a variety of experimental techniques, the most important being optical methods and electron paramagnetic resonance (EPR). In recent years the application of pulse techniques-radiolysis and laser photolysis-has yielded a wealth of information concerning the mechanisms of the primary processes of radiation damage, on the one hand, and of thermal and photolytic reactions that the radiolysis products undergo, on the other

  1. Tidally driven export of dissolved organic carbon, total mercury, and methylmercury from a mangrove-dominated estuary

    Science.gov (United States)

    Bergamaschi, B.A.; Krabbenhoft, D.P.; Aiken, G.R.; Patino, E.; Rumbold, D.G.; Orem, W.H.

    2012-01-01

    The flux of dissolved organic carbon (DOC) from mangrove swamps accounts for 10% of the global terrestrial flux of DOC to coastal oceans. Recent findings of high concentrations of mercury (Hg) and methylmercury (MeHg) in mangroves, in conjunction with the common co-occurrence of DOC and Hg species, have raised concerns that mercury fluxes may also be large. We used a novel approach to estimate export of DOC, Hg, and MeHg to coastal waters from a mangrove-dominated estuary in Everglades National Park (Florida, USA). Using in situ measurements of fluorescent dissolved organic matter as a proxy for DOC, filtered total Hg, and filtered MeHg, we estimated the DOC yield to be 180 (??12.6) g C m -2 yr -1, which is in the range of previously reported values. Although Hg and MeHg yields from tidal mangrove swamps have not been previously measured, our estimated yields of Hg species (28 ?? 4.5 ??g total Hg m -2 yr -1 and 3.1 ?? 0.4 ??g methyl Hg m -2 yr -1) were five times greater than is typically reported for terrestrial wetlands. These results indicate that in addition to the well documented contributions of DOC, tidally driven export from mangroves represents a significant potential source of Hg and MeHg to nearby coastal waters. ?? 2011 American Chemical Society.

  2. Response surface modeling for optimization heterocatalytic Fenton oxidation of persistence organic pollution in high total dissolved solid containing wastewater.

    Science.gov (United States)

    Sekaran, G; Karthikeyan, S; Boopathy, R; Maharaja, P; Gupta, V K; Anandan, C

    2014-01-01

    The rice-husk-based mesoporous activated carbon (MAC) used in this study was precarbonized and activated using phosphoric acid. N2 adsorption/desorption isotherm, X-ray powder diffraction, electron spin resonance, X-ray photoelectron spectroscopy and scanning electron microscopy, transmission electron microscopy, (29)Si-NMR spectroscopy, and diffuse reflectance spectroscopy were used to characterize the MAC. The tannery wastewater carrying high total dissolved solids (TDS) discharged from leather industry lacks biodegradability despite the presence of dissolved protein. This paper demonstrates the application of free electron-rich MAC as heterogeneous catalyst along with Fenton reagent for the oxidation of persistence organic compounds in high TDS wastewater. The heterogeneous Fenton oxidation of the pretreated wastewater at optimum pH (3.5), H2O2 (4 mmol/L), FeSO4[Symbol: see text]7H2O (0.2 mmol/L), and time (4 h) removed chemical oxygen demand, biochemical oxygen demand, total organic carbon and dissolved protein by 86, 91, 83, and 90%, respectively.

  3. Catalytic effect of halide additives ball milled with magnesium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Malka, I.E.; Bystrzycki, J. [Department of Advanced Materials and Technologies, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland); Czujko, T. [Department of Advanced Materials and Technologies, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland); CanmetENERGY, Hydrogen Fuel Cells and Transportation Energy, Natural Resources (Canada)

    2010-02-15

    The influence of various halide additives milled with magnesium hydride (MgH{sub 2}) on its decomposition temperature was studied. The optimum amount of halide additive and milling conditions were evaluated. The MgH{sub 2} decomposition temperature and energy of activation reduction were measured by temperature programmed desorption (TPD) and differential scanning calorimetry (DSC). The difference in catalytic efficiency between chlorides and fluorides of the various metals studied is presented. The effects of oxidation state, valence and position in the periodic table for selected halides on MgH{sub 2} decomposition temperature were also studied. The best catalysts, from the halides studied, for magnesium hydride decomposition were ZrF{sub 4}, TaF{sub 5}, NbF{sub 5}, VCl{sub 3} and TiCl{sub 3}. (author)

  4. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei

    2017-01-01

    Despite their outstanding charge transport characteristics, organolead halide perovskite single crystals grown by hitherto reported crystallization methods are not suitable for most optoelectronic devices due to their small aspect ratios

  5. Dipole-dipole van der Waals interaction in alkali halides

    International Nuclear Information System (INIS)

    Thakur, B.N.; Thakur, K.P.

    1978-01-01

    Values of van der Waals dipole-dipole constants and interaction energetics of alkali halides are reported using the recent data. The values obtained are somewhat larger than those of earlier workers. (orig.) [de

  6. High temperature reactions between molybdenum and metal halides

    International Nuclear Information System (INIS)

    Boeroeczki, A.; Dobos, G.; Josepovits, V.K.; Hars, Gy.

    2006-01-01

    Good colour rendering properties, high intensity and efficacy are of vital importance for high-end lighting applications. These requirements can be achieved by high intensity discharge lamps doped with different metal halide additives (metal halide lamps). To improve their reliability, it is very important to understand the different failure processes of the lamps. In this paper, the corrosion reactions between different metal halides and the molybdenum electrical feed-through electrode are discussed. The reactions were studied in the feed-through of real lamps and on model samples too. X-ray photoelectron spectroscopy (XPS) was used to establish the chemical states. In case of the model samples we have also used atomic absorption spectroscopy (AAS) to measure the reaction product amounts. Based on the measurement results we were able to determine the most corrosive metal halide components and to understand the mechanism of the reactions

  7. Dislocation unpinning model of acoustic emission from alkali halide ...

    Indian Academy of Sciences (India)

    The present paper reports the dislocation unpinning model of acoustic emis- sion (AE) from ... Acoustic emission; dislocation; alkali halide crystals; plastic deformation. ..... [5] T Nishimura, A Tahara and T Kolama, Jpn. Metal Inst. 64, 339 (2000).

  8. Deriving an atmospheric budget of total organic bromine using airborne in situ measurements from the western Pacific area during SHIVA

    Science.gov (United States)

    Sala, S.; Bönisch, H.; Keber, T.; Oram, D. E.; Mills, G.; Engel, A.

    2014-07-01

    During the recent SHIVA (Stratospheric Ozone: Halogen Impacts in a Varying Atmosphere) project an extensive data set of all halogen species relevant for the atmospheric budget of total organic bromine was collected in the western Pacific region using the Falcon aircraft operated by the German Aerospace agency DLR (Deutsches Zentrum für Luft- und Raumfahrt) covering a vertical range from the planetary boundary layer up to the ceiling altitude of the aircraft of 13 km. In total, more than 700 measurements were performed with the newly developed fully automated in situ instrument GHOST-MS (Gas chromatograph for the Observation of Tracers - coupled with a Mass Spectrometer) by the Goethe University of Frankfurt (GUF) and with the onboard whole-air sampler WASP with subsequent ground-based state-of-the-art GC / MS analysis by the University of East Anglia (UEA). Both instruments yield good agreement for all major (CHBr3 and CH2Br2) and minor (CH2BrCl, CHBrCl2 and CHBr2Cl) VSLS (very short-lived substances), at least at the level of their 2σ measurement uncertainties. In contrast to the suggestion that the western Pacific could be a region of strongly increased atmospheric VSLS abundance (Pyle et al., 2011), we found only in the upper troposphere a slightly enhanced amount of total organic bromine from VSLS relative to the levels reported in Montzka and Reimann et al. (2011) for other tropical regions. From the SHIVA observations in the upper troposphere, a budget for total organic bromine, including four halons (H-1301, H-1211, H-1202, H-2402), CH3Br and the VSLS, is derived for the level of zero radiative heating (LZRH), the input region for the tropical tropopause layer (TTL) and thus also for the stratosphere. With the exception of the two minor VSLS CHBrCl2 and CHBr2Cl, excellent agreement with the values reported in Montzka and Reimann et al. (2011) is found, while being slightly higher than previous studies from our group based on balloon-borne measurements.

  9. Total organic carbon in a soil recovered with sewage sludge and native species of the Atlantic Forest

    Science.gov (United States)

    Mara Lima Goulart, Lívia; Amaral Guerrini, Iraê; Fidalgo de Faria, Marianne; Spada, Grasiela; Proença Nalesso, Pedro Henrique; Willian Carlos, Guilherme

    2017-04-01

    The use of organic waste such as sewage sludge, in the recovery of degraded áreas have shown very satisfactory results, because they are constituted by high contentes of organic matter and nutrients, essential to improve the physical and chemical properties of the soil. Thus, the objective of this study was to verify the total organic carbon (TOC) of a degraded soil, up to a metre deep, after 10 years of application of sewage sludge and planting native species of the Atlantic forest. The experiment was conducted at Fazenda Entre-Rios, owned by Suzano Papel e Celulose, in Itatinga, São Paulo, Brazil. The experiment was designed as randomized block with four replications, six doses of sewage sludge (0, 2.5, 5, 10, 15 and 20 t ha-1), conventional chemical fertilizer and only with potassium application, totaling eight treatments. Samples were collected every 20 cm (0-20, 20-40, 40-60, 60-80 and 80-100 cm) until reaching a metre deep. Ten years after trial deployment, the sewage sludge application in degraded soil was significantly influenced the TOC at all depths sampled. The highest values of the COT were observed in plots that received 15 and 20 t ha-1 of sewage sludge, in all depths sampled, except for the layer of 80-100 cm, which presented the highest average COT in the treatment with 10 t ha-1 of residue. As observed for all treatments, the highest TOC averages were observed in the superficial layers of the soil (0-20 and 20-40 cm). The sewage sludge application is useful to recover degraded soils, as it improving their chemical characteristics and showing to be a good alternative to the final destination of this residue.

  10. Systemic analysis of thermodynamic properties of lanthanide halides

    International Nuclear Information System (INIS)

    Mirsaidov, U.; Badalov, A.; Marufi, V.K.

    1992-01-01

    System analysis of thermodynamic characteristics of lanthanide halides was carried out. A method making allowances for the influence of spin and orbital moments of momentum of the main states of lanthanide trivalent ions in their natural series was employed. Unknown in literature thermodynamic values were calculated and corrected for certain compounds. The character of lanthanide halide thermodynamic parameter change depending on ordinal number of the metals was ascertained. Pronouncement of tetrad-effect in series of compounds considered was pointed out

  11. Deriving an atmospheric budget of total organic bromine using airborne in-situ measurements from the Western Pacific during SHIVA

    Science.gov (United States)

    Sala, S.; Bönisch, H.; Keber, T.; Oram, D. E.; Mills, G.; Engel, A.

    2014-02-01

    During the SHIVA (Stratospheric Ozone: Halogen Impacts in a Varying Atmosphere) project an extensive dataset of all halogen species relevant for the atmospheric budget of total organic bromine has been collected in the West Pacific region using the FALCON aircraft operated by the German Aerospace agency DLR (Deutsches Zentrum für Luft- und Raumfahrt) covering a vertical range from the planetary boundary layer up to the ceiling altitude of the aircraft of 13 km. In total, more than 700 measurements were performed with the newly developed fully-automated in-situ instrument GHOST-MS (Gas cHromatograph for the Observation of Tracers - coupled with a Mass Spectrometer) by the Goethe University of Frankfurt (GUF) and with the onboard whole-air sampler WASP with subsequent ground based state-of-the-art GC/MS analysis by the University of East Anglia (UEA). Both instruments yield good agreement for all major (CHBr3 and CH2Br2) and minor (CHBrCl, CHBrCl2 and CHBr2Cl) VSLS (very short-lived substances), at least at the level of their 2 σ measurement uncertainties. In contrast to the suggestion that the Western Pacific could be a major source region for VSLS (Pyle et al., 2011), we found only slightly enhanced mixing ratios of brominated halogen source gases relative to the levels reported in Montzka et al. (2011) for other tropical regions. A budget for total organic bromine, including all four halons,CH3Br and the VSLS, is derived for the upper troposphere, the input region for the TTL and thus also for the stratosphere, compiled from the SHIVA dataset. With exception of the two minor VSLS CHBrCl2 and CHBr2Cl, excellent agreement with the values reported in Montzka et al. (2011) is found, while being slightly higher than previous studies from our group based on balloon-borne measurements.

  12. Mechanoluminescence response to the plastic flow of coloured alkali halide crystals

    International Nuclear Information System (INIS)

    Chandra, B.P.; Bagri, A.K.; Chandra, V.K.

    2010-01-01

    The present paper reports the luminescence induced by plastic deformation of coloured alkali halide crystals using pressure steps. When pressure is applied onto a γ-irradiated alkali halide crystal, then initially the mechanoluminescence (ML) intensity increases with time, attains a peak value and later on it decreases with time. The ML of diminished intensity also appears during the release of applied pressure. The intensity I m corresponding to the peak of ML intensity versus time curve and the total ML intensity I T increase with increase in value of the applied pressure. The time t m corresponding to the ML peak slightly decreases with the applied pressure. After t m , initially the ML intensity decreases at a fast rate and later on it decreases at a slow rate. The decay time of the fast decrease in the ML intensity is equal to the pinning time of dislocations and the decay time for the slow decrease of ML intensity is equal to the diffusion time of holes towards the F-centres. The ML intensity increases with the density of F-centres and it is optimum for a particular temperature of the crystals. The ML spectra of coloured alkali halide crystals are similar to the thermoluminescence and afterglow spectra. The peak ML intensity and the total ML intensity increase drastically with the applied pressure following power law, whereby the pressure dependence of the ML intensity is related to the work-hardening exponent of the crystals. The ML also appears during the release of the applied pressure because of the movement of dislocation segments and movements of dislocation lines blocked under pressed condition. On the basis of the model based on the mechanical interaction between dislocation and F-centres, expressions are derived for the ML intensity, which are able to explain different characteristics of the ML. From the measurements of the plastico ML induced by the application of loads on γ-irradiated alkali halide crystals, the pinning time of dislocations

  13. Determination of iodide, iodate and organo-iodine in waters with a new total organic iodine measurement approach.

    Science.gov (United States)

    Gong, Tingting; Zhang, Xiangru

    2013-11-01

    The dissolved iodine species that dominate aquatic systems are iodide, iodate and organo-iodine. These species may undergo transformation to one another and thus affect the formation of iodinated disinfection byproducts during disinfection of drinking waters or wastewater effluents. In this study, a fast, sensitive and accurate method for determining these iodine species in waters was developed by derivatizing iodide and iodate to organic iodine and measuring organic iodine with a total organic iodine (TOI) measurement approach. Within this method, organo-iodine was determined directly by TOI measurement; iodide was oxidized by monochloramine to hypoiodous acid and then hypoiodous acid reacted with phenol to form organic iodine, which was determined by TOI measurement; iodate was reduced by ascorbic acid to iodide and then determined as iodide. The quantitation limit of organo-iodine or sum of organo-iodine and iodide or sum of organo-iodine, iodide and iodate was 5 μg/L as I for a 40 mL water sample (or 2.5 μg/L as I for an 80 mL water sample, or 1.25 μg/L as I for a 160 mL water sample). This method was successfully applied to the determination of iodide, iodate and organo-iodine in a variety of water samples, including tap water, seawater, urine and wastewater. The recoveries of iodide, iodate and organo-iodine were 91-109%, 90-108% and 91-108%, respectively. The concentrations and distributions of iodine species in different water samples were obtained and compared. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Relation between the electroforming voltage in alkali halide-polymer diodes and the bandgap of the alkali halide

    International Nuclear Information System (INIS)

    Bory, Benjamin F.; Wang, Jingxin; Janssen, René A. J.; Meskers, Stefan C. J.; Gomes, Henrique L.; De Leeuw, Dago M.

    2014-01-01

    Electroforming of indium-tin-oxide/alkali halide/poly(spirofluorene)/Ba/Al diodes has been investigated by bias dependent reflectivity measurements. The threshold voltages for electrocoloration and electroforming are independent of layer thickness and correlate with the bandgap of the alkali halide. We argue that the origin is voltage induced defect formation. Frenkel defect pairs are formed by electron–hole recombination in the alkali halide. This self-accelerating process mitigates injection barriers. The dynamic junction formation is compared to that of a light emitting electrochemical cell. A critical defect density for electroforming is 10 25 /m 3 . The electroformed alkali halide layer can be considered as a highly doped semiconductor with metallic transport characteristics

  15. Total water, phosphorus relaxation and inter-atomic organic to inorganic interface are new determinants of trabecular bone integrity.

    Directory of Open Access Journals (Sweden)

    Ratan Kumar Rai

    Full Text Available Bone is the living composite biomaterial having unique structural property. Presently, there is a considerable gap in our understanding of bone structure and composition in the native state, particularly with respect to the trabecular bone, which is metabolically more active than cortical bones, and is readily lost in post-menopausal osteoporosis. We used solid-state nuclear magnetic resonance (NMR to compare trabecular bone structure and composition in the native state between normal, bone loss and bone restoration conditions in rat. Trabecular osteopenia was induced by lactation as well as prolonged estrogen deficiency (bilateral ovariectomy, Ovx. Ovx rats with established osteopenia were administered with PTH (parathyroid hormone, trabecular restoration group, and restoration was allowed to become comparable to sham Ovx (control group using bone mineral density (BMD and µCT determinants. We used a technique combining (1H NMR spectroscopy with (31P and (13C to measure various NMR parameters described below. Our results revealed that trabecular bones had diminished total water content, inorganic phosphorus NMR relaxation time (T1 and space between the collagen and inorganic phosphorus in the osteopenic groups compared to control, and these changes were significantly reversed in the bone restoration group. Remarkably, bound water was decreased in both osteopenic and bone restoration groups compared to control. Total water and T1 correlated strongly with trabecular bone density, volume, thickness, connectivity, spacing and resistance to compression. Bound water did not correlate with any of the microarchitectural and compression parameters. We conclude that total water, T1 and atomic space between the crystal and organic surface are altered in the trabecular bones of osteopenic rats, and PTH reverses these parameters. Furthermore, from these data, it appears that total water and T1 could serve as trabecular surrogates of micro-architecture and

  16. Synthesis of E-Alkyl Alkenes from Terminal Alkynes via Ni-Catalyzed Cross-Coupling of Alkyl Halides with B-Alkenyl-9-borabicyclo[3.3.1]nonanes.

    Science.gov (United States)

    Di Franco, Thomas; Epenoy, Alexandre; Hu, Xile

    2015-10-02

    The first Ni-catalyzed Suzuki-Miyaura coupling of alkyl halides with alkenyl-(9-BBN) reagents is reported. Both primary and secondary alkyl halides including alkyl chlorides can be coupled. The coupling method can be combined with hydroboration of terminal alkynes, allowing the expedited synthesis of functionalized alkyl alkenes from readily available alkynes with complete (E)-selectivity in one pot. The method was applied to the total synthesis of (±)-Recifeiolide, a natural macrolide.

  17. Emission Enhancement and Intermittency in Polycrystalline Organolead Halide Perovskite Films

    Directory of Open Access Journals (Sweden)

    Cheng Li

    2016-08-01

    Full Text Available Inorganic-organic halide organometal perovskites have demonstrated very promising performance for opto-electronic applications, such as solar cells, light-emitting diodes, lasers, single-photon sources, etc. However, the little knowledge on the underlying photophysics, especially on a microscopic scale, hampers the further improvement of devices based on this material. In this communication, correlated conventional photoluminescence (PL characterization and wide-field PL imaging as a function of time are employed to investigate the spatially- and temporally-resolved PL in CH3NH3PbI3−xClx perovskite films. Along with a continuous increase of the PL intensity during light soaking, we also observe PL blinking or PL intermittency behavior in individual grains of these films. Combined with significant suppression of PL blinking in perovskite films coated with a phenyl-C61-butyric acid methyl ester (PCBM layer, it suggests that this PL intermittency is attributed to Auger recombination induced by photoionized defects/traps or mobile ions within grains. These defects/traps are detrimental for light conversion and can be effectively passivated by the PCBM layer. This finding paves the way to provide a guideline on the further improvement of perovskite opto-electronic devices.

  18. Relationship of bifenthrin sediment concentrations to grain size and total organic carbon in California waterbodies: implications for ecological risk.

    Science.gov (United States)

    Hall, Lenwood W; Anderson, Ronald D

    2014-12-01

    A summary analysis of data sets from six California waterbodies was conducted to determine the relationship of bifenthrin sediment concentrations to: % sand/gravel; % silt; % clay; % silt/clay and % total organic carbon (TOC). The relationship of TOC to % sand/gravel, % silt, % clay, and % silt/clay was also analyzed. Statistically significant and meaningful direct relationships were reported between bifenthrin and % TOC, % silt, % clay and % silt/clay while a significant and meaningful inverse relationship was reported between bifenthrin and % sand/gravel. A significant and meaningful inverse relationship was reported between % TOC and % sand/gravel, while a significant and meaningful direct relationship was reported between % TOC and % silt, % clay and % silt/clay. Significant bifenthrin sediment concentrations would not be expected in non-depositional (sand/gravel) areas which have been reported to be dominant in various streams in California's Central Valley and are also the preferred habitat for many benthic macroinvertebrate taxa.

  19. Effect of temperature and pH on dehalogenation of total organic chlorine, bromine and iodine in drinking water.

    Science.gov (United States)

    Abusallout, Ibrahim; Rahman, Shamimur; Hua, Guanghui

    2017-11-01

    Disinfection byproduct (DBP) concentrations in drinking water distribution systems and indoor water uses depend on competitive formation and degradation reactions. This study investigated the dehalogenation kinetics of total organic chlorine (TOCl), bromine (TOBr) and iodine (TOI) produced by fulvic acid under different pH and temperature conditions, and total organic halogen (TOX) variations in a treated drinking water under simulated distribution system and heating scenarios. TOX dehalogenation rates were generally in the order of TOI ≅ TOCl(NH 2 Cl) > TOBr > TOCl(Cl 2 ). The half-lives of different groups of TOX compounds formed by fulvic acid varied between 27 and 139 days during incubation at 20 °C and 0.98-2.17 days during heating at 55 °C. Base-catalyzed reactions played a major role in TOX degradation as evidenced by enhanced dehalogenation under high pH conditions. The results of heating of a treated water in the presence of residuals showed that TOX concentrations of chlorinated samples increased rapidly when chlorine residuals were present and then gradually decreased after chlorine residuals were exhausted. The final TOX concentrations of chlorinated samples after heating showed moderate decreases with increasing ambient water ages. Chloraminated samples with different ambient water ages exhibited similar final TOX concentrations during simulated distribution system and heating experiments. This study reinforces the importance of understanding DBP variations in indoor water uses as wells as in distribution systems to provide more accurate DBP information for exposure assessment and regulatory determination. Published by Elsevier Ltd.

  20. Photography: enhancing sensitivity by silver-halide crystal doping

    International Nuclear Information System (INIS)

    Belloni, Jacqueline

    2003-01-01

    The physical chemistry of the silver photography processes, exposure, development and fixing, is briefly summarized. The mechanism of the autocatalytic development by the developer of the clusters produced in silver bromide crystals during the exposure which is controlled by the critical nuclearity of these clusters was understood from pulse radiolysis studies. The effective quantum yield PHI eff of photoinduced silver cluster formation in silver halide microcrystals is usually much lower than the photoionization theoretical limit PHI theor =1 electron-hole pair per photon absorbed, owing to a subsequent very fast intra-crystal recombination of a part of the electron-hole pairs. In order to inhibit this recombination and favor the silver reduction by photo-electrons, the AgX crystals were doped with the formate HCO 2 - as a specific hole scavenger. First, the dopant scavenges the photoinduced hole, thus enhancing the electron escape from the pair recombination. Second, the CO 2 ·- radical so formed transfers an electron to another silver cation, so that the PHI eff limit may be of 2Ag 0 per photon. This Photoinduced Bielectronic Transfer mechanism is strictly proportional to the light quanta absorbed and induces an exceptional efficiency for enhancing the radio- or photographic sensitivity insofar as it totally suppresses the electron-hole recombination

  1. Thermodynamic origin of instability in hybrid halide perovskites

    Science.gov (United States)

    Tenuta, E.; Zheng, C.; Rubel, O.

    2016-11-01

    Degradation of hybrid halide perovskites under the influence of environmental factors impairs future prospects of using these materials as absorbers in solar cells. First principle calculations can be used as a guideline in search of new materials, provided we can rely on their predictive capabilities. We show that the instability of perovskites can be captured using ab initio total energy calculations for reactants and products augmented with additional thermodynamic data to account for finite temperature effects. Calculations suggest that the instability of CH3NH3PbI3 in moist environment is linked to the aqueous solubility of the CH3NH3I salt, thus making other perovskite materials with soluble decomposition products prone to degradation. Properties of NH3OHPbI3, NH3NH2PbI3, PH4PbI3, SbH4PbI3, CsPbBr3, and a new hypothetical SF3PbI3 perovskite are studied in the search for alternative solar cell absorber materials with enhanced chemical stability.

  2. Is black carbon a better predictor of polycyclic aromatic hydrocarbon distribution in soils than total organic carbon?

    International Nuclear Information System (INIS)

    Agarwal, Tripti; Bucheli, Thomas D.

    2011-01-01

    Black carbon (BC) and total organic carbon (TOC) were quantified in the surface soils of Switzerland (N = 105) and Delhi (N = 36), India, to examine their relationships with contents of polycyclic aromatic hydrocarbons (PAH). BC content in Swiss (background) soils (N = 104) varied from 0.41 to 4.75 mg/g (median: 1.13 mg/g) and constituted 1-9% (median: 3%) of TOC. Indian (urban) soils had similar BC concentrations (0.37-2.05 mg/g, median: 1.19 mg/g), with relatively higher BC/TOC (6-23%, median: 13%). Similar to TOC, BC showed significant positive correlation with lighter PAH, but no correlation with heavier PAH in Swiss soils. In contrast, heavier PAH were significantly correlated only with BC in Delhi soils. It seems that TOC governs the distribution of PAH in organic matter rich background soils, while the proximity to emission sources is reflected by BC-PAH association in urban soils. - Light PAH correlated with TOC in background soils, whereas heavy PAH were associated with BC close to emission sources.

  3. Structure and energetics of trivalent metal halides

    International Nuclear Information System (INIS)

    Hutchinson, F.

    1999-01-01

    Metal trihalide (MX 3 ) systems represent a stern challenge in terms of constructing transferable potential models. Starting from a previously published set of potentials, 'extended' ionic models are developed which, at the outset, include only anion polarization. Deficiencies in these models, particularly for smaller (highly polarizing) cations, axe shown to be significant. For example, crystal structures different to those observed experimentally axe adopted. The potentials axe improved upon by reference to ab initio information available for alkali halides with the 'constraint' that the parameters transfer systematically in a physically transparent manner, for example, in terms of ion radii. The possible influence of anion compression ('breathing') and the relative abundance of anion-anion interactions are considered. Simulation techniques axe developed to allow for the effective simulation of any system symmetry and for the study of transitions between different crystals (constant stress). The developed models are fully tested for a large range of metal trichloride (MCl 3 ) systems. Particular attention is paid to the comparison with recent neutron and X-ray diffraction data on the liquid state. Polarization effects axe shown to be vital in reproducing strong experimental features. The excellent agreement between simulation and experiment allows for differences in experimental procedures to be highlighted. The transferability is further tested by modelling mixtures of the lanthanides with alkali halides with potentials unchanged from the pure systems. The complex evolution of the melt structure is highlighted as the concentration of MCl 3 increases. The effectiveness of the models is tested by reference to dynamical properties. Particular attention is paid to the comparison with Raman scattering data available for a wide range of systems and mixture concentrations. The simulated spectra are generated both by a simple molecular picture of the underlying

  4. Excitonic Effects in Methylammonium Lead Halide Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Beard, Matthew C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Chen, Xihan [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Lu, Haipeng [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yang, Ye [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2018-05-01

    The exciton binding energy in methylammonium lead iodide (MAPbI3) is about 10 meV, around 1/3 of the available thermal energy (kBT ~ 26 meV) at room temperature. Thus, exciton populations are not stable at room temperature at moderate photoexcited carrier densities. However, excitonic resonances dominate the absorption onset. Furthermore, these resonances determine the transient absorbance and transient reflectance spectra. The exciton binding energy is a reflection of the Coulomb interaction energy between photoexcited electrons and holes. As such, it serves as a marker for the strength of electron/hole interactions and impacts a variety of phenomena, such as, absorption, radiative recombination, and Auger recombination. In this Perspective, we discuss the role of excitons and excitonic resonances in the optical properties of lead-halide perovskite semiconductors. Finally, we discuss how the strong light-matter interactions induce an optical stark effect splitting the doubly spin degenerate ground exciton states and are easily observed at room temperature.

  5. Structured alkali halides for medical applications

    International Nuclear Information System (INIS)

    Schmitt, B.; Fuchs, M.; Hell, E.; Knuepfer, W.; Hackenschmied, P.; Winnacker, A.

    2002-01-01

    Image plates based on storage phosphors are a major application of radiation defects in insulators. Storage phosphors absorb X-ray quanta creating trapped electron-hole pairs in the material. Optical stimulation of the electron causes recombination leading to light emission. Application of image plates requires an optimal compromise between resolution (represented by the modulation transfer function (MTF)) and sensitivity. In our paper we present a new solution of the problem of combining a high MTF with a high sensitivity by structuring the image plates in form of thin needles acting as light guides. This suppresses the lateral spread of light which is detrimental to resolution. As doped CsBr, e.g. CsBr:Ga [Physica Medica XV (1999) 301], can pose a good storage phosphor evaporated layers are of interest in computed radiography. Needle structured CsI:Tl is used as scintillator in direct radiography [IEEE Trans. Nucl. Sci. 45 (3) (1998)]. CsBr layers have been produced by evaporation in vacuum and in inert gas atmosphere varying pressure and temperature. The resulting structures are of fibrous or columnar nature being in good agreement with the zone model of Thornton [Ann. Rev. Mater. Sci. 7 (1977) 239]. A zone model for CsBr has been developed. Measurements on doped alkali halide image plates having needle structure show good MTF at high sensitivity making a significant progress in image plate technology

  6. Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

    KAUST Repository

    Bakr, Osman; Peng, Wei; Wang, Lingfei

    2017-01-01

    Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making

  7. Unveiling the Shape Evolution and Halide-Ion-Segregation in Blue-Emitting Formamidinium Lead Halide Perovskite Nanocrystals Using an Automated Microfluidic Platform.

    Science.gov (United States)

    Lignos, Ioannis; Protesescu, Loredana; Emiroglu, Dilara Börte; Maceiczyk, Richard; Schneider, Simon; Kovalenko, Maksym V; deMello, Andrew J

    2018-02-14

    Hybrid organic-inorganic perovskites and in particular formamidinium lead halide (FAPbX 3 , X = Cl, Br, I) perovskite nanocrystals (NCs) have shown great promise for their implementation in optoelectronic devices. Specifically, the Br and I counterparts have shown unprecedented photoluminescence properties, including precise wavelength tuning (530-790 nm), narrow emission linewidths (photoluminescence quantum yields (70-90%). However, the controlled formation of blue emitting FAPb(Cl 1-x Br x ) 3 NCs lags behind their green and red counterparts and the mechanism of their formation remains unclear. Herein, we report the formation of FAPb(Cl 1-x Br x ) 3 NCs with stable emission between 440 and 520 nm in a fully automated droplet-based microfluidic reactor and subsequent reaction upscaling in conventional laboratory glassware. The thorough parametric screening allows for the elucidation of parametric zones (FA-to-Pb and Br-to-Cl molar ratios, temperature, and excess oleic acid) for the formation of nanoplatelets and/or NCs. In contrast to CsPb(Cl 1-x Br x ) 3 NCs, based on online parametric screening and offline structural characterization, we demonstrate that the controlled synthesis of Cl-rich perovskites (above 60 at% Cl) with stable emission remains a challenge due to fast segregation of halide ions.

  8. Parametrization consequences of constraining soil organic matter models by total carbon and radiocarbon using long-term field data

    Science.gov (United States)

    Menichetti, Lorenzo; Kätterer, Thomas; Leifeld, Jens

    2016-05-01

    Soil organic carbon (SOC) dynamics result from different interacting processes and controls on spatial scales from sub-aggregate to pedon to the whole ecosystem. These complex dynamics are translated into models as abundant degrees of freedom. This high number of not directly measurable variables and, on the other hand, very limited data at disposal result in equifinality and parameter uncertainty. Carbon radioisotope measurements are a proxy for SOC age both at annual to decadal (bomb peak based) and centennial to millennial timescales (radio decay based), and thus can be used in addition to total organic C for constraining SOC models. By considering this additional information, uncertainties in model structure and parameters may be reduced. To test this hypothesis we studied SOC dynamics and their defining kinetic parameters in the Zürich Organic Fertilization Experiment (ZOFE) experiment, a > 60-year-old controlled cropland experiment in Switzerland, by utilizing SOC and SO14C time series. To represent different processes we applied five model structures, all stemming from a simple mother model (Introductory Carbon Balance Model - ICBM): (I) two decomposing pools, (II) an inert pool added, (III) three decomposing pools, (IV) two decomposing pools with a substrate control feedback on decomposition, (V) as IV but with also an inert pool. These structures were extended to explicitly represent total SOC and 14C pools. The use of different model structures allowed us to explore model structural uncertainty and the impact of 14C on kinetic parameters. We considered parameter uncertainty by calibrating in a formal Bayesian framework. By varying the relative importance of total SOC and SO14C data in the calibration, we could quantify the effect of the information from these two data streams on estimated model parameters. The weighing of the two data streams was crucial for determining model outcomes, and we suggest including it in future modeling efforts whenever SO14C

  9. Estimating Global Seafloor Total Organic Carbon Using a Machine Learning Technique and Its Relevance to Methane Hydrates

    Science.gov (United States)

    Lee, T. R.; Wood, W. T.; Dale, J.

    2017-12-01

    Empirical and theoretical models of sub-seafloor organic matter transformation, degradation and methanogenesis require estimates of initial seafloor total organic carbon (TOC). This subsurface methane, under the appropriate geophysical and geochemical conditions may manifest as methane hydrate deposits. Despite the importance of seafloor TOC, actual observations of TOC in the world's oceans are sparse and large regions of the seafloor yet remain unmeasured. To provide an estimate in areas where observations are limited or non-existent, we have implemented interpolation techniques that rely on existing data sets. Recent geospatial analyses have provided accurate accounts of global geophysical and geochemical properties (e.g. crustal heat flow, seafloor biomass, porosity) through machine learning interpolation techniques. These techniques find correlations between the desired quantity (in this case TOC) and other quantities (predictors, e.g. bathymetry, distance from coast, etc.) that are more widely known. Predictions (with uncertainties) of seafloor TOC in regions lacking direct observations are made based on the correlations. Global distribution of seafloor TOC at 1 x 1 arc-degree resolution was estimated from a dataset of seafloor TOC compiled by Seiter et al. [2004] and a non-parametric (i.e. data-driven) machine learning algorithm, specifically k-nearest neighbors (KNN). Built-in predictor selection and a ten-fold validation technique generated statistically optimal estimates of seafloor TOC and uncertainties. In addition, inexperience was estimated. Inexperience is effectively the distance in parameter space to the single nearest neighbor, and it indicates geographic locations where future data collection would most benefit prediction accuracy. These improved geospatial estimates of TOC in data deficient areas will provide new constraints on methane production and subsequent methane hydrate accumulation.

  10. The budget between transportation and accumulation of organic carbon and total nitrogen in black soil at a sloping farmland

    International Nuclear Information System (INIS)

    Fang Huajun; Zhang Xiaoping; Liang Aizhen

    2006-01-01

    Based on the rate of soil redistribution at a sloping farmland using 137 Cs tracer technique and spatial variation of soil organic carbon (SOC) and total nitrogen (TN), the spatial distribution of SOC and TN loss and the budget between transportation and accumulation for recently 50 years was calculated. The results showed that the rate of soil redistribution ranged from -24.61 t/hm 2 /a to 33.56 t/hm 2 /a, most of study area was in medium and weakly erosion phase and accounted for 83.66%; and the area of soil deposition accounted for 15.62%; The variation of the loss of SOC and TN was consistent with that of soil redistribution, shoulder-slope had the most serious loss with the rate of 407.57 kg/hm 2 /a for SOC and 39.94 kg/hm 2 /a for TN, back-slope and summit had the secondly loss with the average rate of 244.2 kg/hm 2 /a for SOC and -20.56 kg/hm 2 /a for TN. For the whole area, relative loss of SOC and TN more than 50% accounted for 10.45% and 11.21%, respectively; The net loss of sediment in the study area was 45.54 t/a for recent 48 years, among which SOC and TN were 612.62 kg/a and 47.20 kg/a, respectively, which was 52% more than that of without consideration of the enrichment of sediment on soil organic matter. (authors)

  11. The Relative Effects of Manual Versus Automatic Exposure Control on Radiation Dose to Vital Organs in Total Hip Arthroplasty.

    Science.gov (United States)

    Harper, Katharine D; Li, Shidong; Jennings, Rachel; Amer, Kamil M; Haydel, Christopher; Ali, Sayed

    2018-01-01

    Technologic advances have reduced medical radiation exposure while maintaining image quality. The purpose of this study was to determine the effects of the presence of total hip arthroplasty implants, compared with native hips, on radiation exposure of the most radiosensitive organs when manual and automatic exposure control settings are used. Detection probes were placed at six locations (stomach, sigmoid colon, right pelvic wall, left pelvic wall, pubic symphysis, and anterior pubic skin) in a cadaver. Radiographs were obtained with the use of manual and automatic exposure control protocols, with exposures recorded. A total hip arthroplasty implant was placed in the cadaver, probe positioning was confirmed, and the radiographs were repeated, with exposure values recorded. The control probe placed at the stomach had values ranging from 0.00 mSv to 0.01 mSv in protocols with and without implants. With the manual protocol, exposures in the pelvis ranged from 0.36 mSv to 2.74 mSv in the native hip and from 0.33 mSv to 2.24 mSv after implant placement. The increases in exposure after implant placement, represented as relative risk, were as follows: stomach, 1.000; pubic symphysis, 0.818; left pelvic wall, 1.381; sigmoid colon, 1.550; right pelvic wall, 0.917; and anterior pubic skin, 1.015. With automatic exposure control, exposures in the pelvis ranged from 0.07 mSv to 0.89 mSv in the native hip and from 0.21 mSv to 1.15 mSv after implant placement. With automatic exposure control, the increases in exposure after implant placement, represented as relative risk, were as follows: stomach, 1.000; pubic symphysis, 1.292; left pelvic wall, 1.476; sigmoid colon, 2.182; right pelvic wall, 3.000; and anterior pubic skin, 1.378. The amount of radiation to which patients are exposed as a result of medical procedures or imaging, and whether exposure is associated with an increased risk of malignant transformation, are the subject of ongoing debate. We found that after insertion

  12. [Dynamics of total organic carbon (TOC) in hydrological processes in coniferous and broad-leaved mixed forest of Dinghushan].

    Science.gov (United States)

    Yin, Guangcai; Zhou, Guoyi; Zhang, Deqiang; Wang, Xu; Chu, Guowei; Liu, Yan

    2005-09-01

    The total flux and concentration of total organic carbon (TOC) in hydrological processes in coniferous and broad-leaved mixed forest of Dinghushan were measured from July 2002 to July 2003. The results showed that the TOC input by precipitation was 41.80 kg x hm(-2) x yr(-1), while its output by surface runoff and groundwater (soil solution at 50 cm depth) was 17.54 and 1.80 kg x hm(-2) x yr(-1), respectively. The difference between input and output was 22.46 kg x hm(-2) x yr(-1), indicating that the ecosystem TOC was in positive balance. The monthly variation of TOC flux in hydrological processes was very similar to that in precipitation. The mean TOC concentration in precipitation was 3.64 mg x L(-1), while that in throughfall and stemflow increased 6.10 and 7.39 times after rain passed through the tree canopies and barks. The mean TOC concentration in surface runoff and in soil solution at 25 and 50 cm depths was 12.72, 7.905 and 3.06 mg x L(-1), respectively. The monthly TOC concentration in throughfall and stemflow had a similar changing tendency, showing an increase at the beginning of growth season (March), a decrease after September, and a little increase in December. The TOC concentration in runoff was much higher during high precipitation months. No obvious monthly variation was observed in soil solution TOC concentration (25 and 50 cm below the surface). Stemflow TOC concentration differed greatly between different tree species. The TOC concentration in precipitation, throughfall, and soil solution (25 and 50 cm depths) decreased with increasing precipitation, and no significant relationship existed between the TOC concentrations in stemflow, surface runoff and precipitation. The TOC concentrations in the hydrological processes fluctuated with precipitation intensity, except for that in stemflow and soil solutions.

  13. Building-Related Symptoms among Office Employees Associated with Indoor Carbon Dioxide and Total Volatile Organic Compounds

    Directory of Open Access Journals (Sweden)

    Chung-Yen Lu

    2015-05-01

    Full Text Available This study investigated whether sick building syndrome (SBS complaints among office workers were associated with the indoor air quality. With informed consent, 417 employees in 87 office rooms of eight high-rise buildings completed a self-reported questionnaire for symptoms experienced at work during the past month. Carbon dioxide (CO2, temperature, humidity and total volatile organic compounds (TVOCs in each office were simultaneously measured for eight office hours using portable monitors. Time-averaged workday difference between the indoor and the outdoor CO2 concentrations (dCO2 was calculated as a surrogate measure of ventilation efficiency for each office unit. The prevalence rates of SBS were 22.5% for eye syndrome, 15.3% for upper respiratory and 25.4% for non-specific syndromes. Tiredness (20.9%, difficulty in concentrating (14.6%, eye dryness (18.7% were also common complaints. The generalized estimating equations multivariate logistic regression analyses showed that adjusted odds ratios (aORs and 95% confidence interval (CI per 100 ppm increase in dCO2 were significantly associated with dry throat (1.10, 95% CI = (1.00–1.22, tiredness (1.16, 95% CI = (1.04–1.29 and dizziness (1.22, 95% CI = (1.08–1.37. The ORs for per 100 ppb increases in TVOCs were also associated with upper respiratory symptoms (1.06, 95% CI = (1.04–1.07, dry throat (1.06, 95% CI = (1.03–1.09 and irritability (1.02, 95% CI = (1.01–1.04. In conclusion, the association between some SBS symptoms and the exposure to CO2 and total VOCs are moderate but may be independently significant.

  14. Higher Antioxidant Activity, Total Flavonols, and Specific Quercetin Glucosides in Two Different Onion (Allium cepa L.) Varieties Grown under Organic Production: Results from a 6-Year Field Study.

    Science.gov (United States)

    Ren, Feiyue; Reilly, Kim; Kerry, Joseph P; Gaffney, Michael; Hossain, Mohammad; Rai, Dilip K

    2017-06-28

    We carried out a 6-year study to assess the effect of conventional, organic, and mixed cultivation practices on bioactive compounds (flavonoids, anthocyanins) and antioxidant capacity in onion. Total flavonoids, total anthocyanins, individual flavonols, individual anthocyanins, and antioxidant activity were measured in two varieties ('Hyskin' and 'Red Baron') grown in a long-term split-plot factorial systems comparison trial. This is the first report of repeated measurements of bioactive content over an extensive time period in a single crop type within the same trial. Antioxidant activity (DPPH and FRAP), total flavonol content, and levels of Q 3,4' D and Q 3 G were higher in both varieties under fully organic compared to fully conventional management. Total flavonoids were higher in 'Red Baron' and when onions were grown under organic soil treatment. Differences were primarily due to different soil management practices used in organic agriculture rather than pesticide/ herbicide application.

  15. 78 FR 51463 - Energy Conservation Program: Energy Conservation Standards for Metal Halide Lamp Fixtures

    Science.gov (United States)

    2013-08-20

    ... merging the metal halide lamp fixture and the high-intensity discharge (HID) lamp rulemakings. This NOPR... Conservation Program: Energy Conservation Standards for Metal Halide Lamp Fixtures; Proposed Rule #0;#0;Federal...: Energy Conservation Standards for Metal Halide Lamp Fixtures AGENCY: Office of Energy Efficiency and...

  16. Solvated Positron Chemistry. Competitive Positron Reactions with Halide Ions in Water

    DEFF Research Database (Denmark)

    Christensen, Palle; Pedersen, Niels Jørgen; Andersen, J. R.

    1979-01-01

    It is shown by means of the angular correlation technique that the binding of positrons to halides is strongly influenced by solvation effects. For aqueous solutions we find increasing values for the binding energies between the halide and the positron with increasing mass of the halide...

  17. Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

    KAUST Repository

    Bakr, Osman M.

    2017-03-02

    Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making organometallic halide perovskite monocrystalline film, and the like.

  18. Centennial-scale records of total organic carbon in sediment cores from the South Yellow Sea, China

    Science.gov (United States)

    Zhu, Qing; Lin, Jia; Hong, Yuehui; Yuan, Lirong; Liu, Jinzhong; Xu, Xiaoming; Wang, Jianghai

    2018-01-01

    Global carbon cycling is a significant factor that controls climate change. The centennial-scale variations in total organic carbon (TOC) contents and its sources in marginal sea sediments may reflect the influence of human activities on global climate change. In this study, two fine-grained sediment cores from the Yellow Sea Cold Water Mass of the South Yellow Sea were used to systematically determine TOC contents and stable carbon isotope ratios. These results were combined with previous data of black carbon and 210Pb dating from which we reconstructed the centennial-scale initial sequences of TOC, terrigenous TOC (TOCter) and marine autogenous TOC (TOCmar) after selecting suitable models to correct the measured TOC (TOCcor). These sequences showed that the TOCter decreased with time in the both cores while the TOCmar increased, particularly the rapid growth in core H43 since the late 1960s. According to the correlation between the Huanghe (Yellow) River discharge and the TOCcor, TOCter, or TOCmar, we found that the TOCter in the two cores mainly derived from the Huanghe River and was transported by it, and that higher Huanghe River discharge could strengthen the decomposition of TOCmar. The newly obtained initial TOC sequences provide important insights into the interaction between human activities and natural processes.

  19. Spatial distribution and offshore export of total organic carbon along the eastern boundary of the Subtropical North Pacific

    Directory of Open Access Journals (Sweden)

    C.G. Castro

    2011-12-01

    Full Text Available Data collected in February, 2003, along the upper continental slope of western North America between Monterey Bay, California (37°N, 122°W, and Cabo San Lucas, Mexico (23°N, 118°W, document, for the first time, the alongshore distribution of total organic carbon (TOC. Highest TOC concentrations (>70 µM were observed for waters above the nitracline and associated with both California Current and southern surface waters. The northward advection of tropical waters in the California Undercurrent did not have any discernible impact on TOC distributions. An estimate of the average rate at which TOC in surface waters was exported offshore by Ekman transport in February 2003 was 1.73 × 103 kg C yr−1 for each meter of coastline. The offshore flux estimate is thought to be conservative with respect to the annual mean offshore flux because the offshore Ekman transport and primary production increase in late spring and early summer and the contribution of upwelling filaments has not been considered. Analysis of TOC contributions to pelagic respiration suggested that TOC accounted for 45% of the oxygen decrease in southern oxic waters. In California Current and oxygen minimum zone waters, TOC did not contribute to pelagic respiration.

  20. Raman spectroscopy of organic-inorganic halide perovskites

    Czech Academy of Sciences Publication Activity Database

    Ledinský, Martin; Löper, P.; Niesen, B.; Holovský, Jakub; Moon, S.J.; Yum, J. H.; De Wolf, S.; Fejfar, Antonín; Ballif, C.

    2015-01-01

    Roč. 6, č. 3 (2015), 401-406 ISSN 1948-7185 R&D Projects: GA ČR GA14-15357S; GA MŠk(CZ) LM2011026 Institutional support: RVO:68378271 Keywords : mixed iodide and bromide lead perovskites * micro-Raman mapping * local chemical sensitivity * moisture-induced degradation * lead iodide * photoluminesce Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 8.539, year: 2015

  1. Quaternary oxide halides of group 15 with zinc and cadmium

    International Nuclear Information System (INIS)

    Rueck, Nadia

    2014-01-01

    The present thesis ''Quaternary oxide halides of group 15 with zinc and cadmium'' deals with the chemical class of oxide halides, which contain d-block element cations and pnicogens. Over the past few years compounds containing pnicogene cations are intensively investigated. The reason for this is the free electron pair of the Pn"3"+ cation, which is responsible for some interesting properties. Free electron pairs do not only impact the spatial structure of molecules but also the properties of materials. The object of this work was the synthesis and characterization of compounds containing Pn"3"+ cations with free electron pairs. Due to the structure-determining effect of these free electron pairs and in combination with halides it is possible to synthesize compounds with low-dimensional structures like chains and layers. In these compounds the structure is separated into halophilic and chalcophilic sub-structures, which are held together only by weak Van der Waals forces.

  2. Two-Dimensional Halide Perovskites for Emerging New- Generation Photodetectors

    DEFF Research Database (Denmark)

    Tang, Yingying; Cao, Xianyi; Chi, Qijin

    2018-01-01

    Compared to their conventional three-dimensional (3D) counterparts, two-dimensional (2D) halide perovskites have attracted more interests recently in a variety of areas related to optoelectronics because of their unique structural characteristics and enhanced performances. In general, there are two...... distinct types of 2D halide perovskites. One represents those perovskites with an intrinsic layered crystal structure (i.e. MX6 layers, M = metal and X = Cl, Br, I), the other defines the perovskites with a 2D nanostructured morphology such as nanoplatelets and nanosheets. Recent studies have shown that 2D...... halide perovskites hold promising potential for the development of new-generation photodetectors, mainly arising from their highly efficient photoluminescence and absorbance, color tunability in the visible-light range and relatively high stability. In this chapter, we present the summary and highlights...

  3. Halide-Dependent Electronic Structure of Organolead Perovskite Materials

    KAUST Repository

    Buin, Andrei

    2015-06-23

    © 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention both at the experimental and theoretical levels. These materials, in particular methylammonium triiodide, are still limited by poor chemical and structural stability under ambient conditions. Today this represents one of the major challenges for polycrystalline perovskite-based photovoltaic technology. In addition to this, the performance of perovskite-based devices is degraded by deep localized states, or traps. To achieve better-performing devices, it is necessary to understand the nature of these states and the mechanisms that lead to their formation. Here we show that the major sources of deep traps in the different halide systems have different origin and character. Halide vacancies are shallow donors in I-based perovskites, whereas they evolve into a major source of traps in Cl-based perovskites. Lead interstitials, which can form lead dimers, are the dominant source of defects in Br-based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability in relation to the reaction enthalpies of mixtures of bulk precursors with respect to final perovskite product. Methylammonium lead triiodide is characterized by the lowest reaction enthalpy, explaining its low stability. At the opposite end, the highest stability was found for the methylammonium lead trichloride, also consistent with our experimental findings which show no observable structural variations over an extended period of time.

  4. Local coordination of polyvalent metal ions in molten halide mixtures

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1989-07-01

    Ample experimental evidence is available in the literature on the geometry and the stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides. Recent schemes for classifying this evidence are discussed. Dissociation of tetrahedral halocomplexes in good ionic systems can be viewed as a classical Mott problem of bound-state stability in a conducting matrix. More generally, structural coordinates can be constructed from properties of the component elements, to separate out systems with long-lived fourfold or sixfold coordination and to distinguish between these. (author). 11 refs, 1 fig

  5. Metal induced gap states at alkali halide/metal interface

    International Nuclear Information System (INIS)

    Kiguchi, Manabu; Yoshikawa, Genki; Ikeda, Susumu; Saiki, Koichiro

    2004-01-01

    The electronic state of a KCl/Cu(0 0 1) interface was investigated using the Cl K-edge near-edge X-ray absorption fine structure (NEXAFS). A pre-peak observed on the bulk edge onset of thin KCl films has a similar feature to the peak at a LiCl/Cu(0 0 1) interface, which originates from the metal induced gap state (MIGS). The present result indicates that the MIGS is formed universally at alkali halide/metal interfaces. The decay length of MIGS to an insulator differs from each other, mainly due to the difference in the band gap energy of alkali halide

  6. Thallous and cesium halide materials for use in cryogenic applications

    International Nuclear Information System (INIS)

    Lawless, W.N.

    1983-01-01

    Certain thallous and cesium halides, either used alone or in combination with other ceramic materials, are provided in cryogenic applications such as heat exchange material for the regenerator section of a closed-cycle cryogenic refrigeration section, as stabilizing coatings for superconducting wires, and as dielectric insulating materials. The thallous and cesium halides possess unusually large specific heats at low temperatures, have large thermal conductivities, are nonmagnetic, and are nonconductors of electricity. They can be formed into a variety of shapes such as spheres, bars, rods, or the like and can be coated or extruded onto substrates or wires. (author)

  7. Predicting Soil Organic Carbon and Total Nitrogen in the Russian Chernozem from Depth and Wireless Color Sensor Measurements

    Science.gov (United States)

    Mikhailova, E. A.; Stiglitz, R. Y.; Post, C. J.; Schlautman, M. A.; Sharp, J. L.; Gerard, P. D.

    2017-12-01

    Color sensor technologies offer opportunities for affordable and rapid assessment of soil organic carbon (SOC) and total nitrogen (TN) in the field, but the applicability of these technologies may vary by soil type. The objective of this study was to use an inexpensive color sensor to develop SOC and TN prediction models for the Russian Chernozem (Haplic Chernozem) in the Kursk region of Russia. Twenty-one dried soil samples were analyzed using a Nix Pro™ color sensor that is controlled through a mobile application and Bluetooth to collect CIEL*a*b* (darkness to lightness, green to red, and blue to yellow) color data. Eleven samples were randomly selected to be used to construct prediction models and the remaining ten samples were set aside for cross validation. The root mean squared error (RMSE) was calculated to determine each model's prediction error. The data from the eleven soil samples were used to develop the natural log of SOC (lnSOC) and TN (lnTN) prediction models using depth, L*, a*, and b* for each sample as predictor variables in regression analyses. Resulting residual plots, root mean square errors (RMSE), mean squared prediction error (MSPE) and coefficients of determination ( R 2, adjusted R 2) were used to assess model fit for each of the SOC and total N prediction models. Final models were fit using all soil samples, which included depth and color variables, for lnSOC ( R 2 = 0.987, Adj. R 2 = 0.981, RMSE = 0.003, p-value < 0.001, MSPE = 0.182) and lnTN ( R 2 = 0.980 Adj. R 2 = 0.972, RMSE = 0.004, p-value < 0.001, MSPE = 0.001). Additionally, final models were fit for all soil samples, which included only color variables, for lnSOC ( R 2 = 0.959 Adj. R 2 = 0.949, RMSE = 0.007, p-value < 0.001, MSPE = 0.536) and lnTN ( R 2 = 0.912 Adj. R 2 = 0.890, RMSE = 0.015, p-value < 0.001, MSPE = 0.001). The results suggest that soil color may be used for rapid assessment of SOC and TN in these agriculturally important soils.

  8. Inorganic hole conductor-based lead halide perovskite solar cells with 12.4% conversion efficiency

    KAUST Repository

    Qin, Peng

    2014-05-12

    Organo-lead halide perovskites have attracted much attention for solar cell applications due to their unique optical and electrical properties. With either low-temperature solution processing or vacuum evaporation, the overall conversion efficiencies of perovskite solar cells with organic hole-transporting material were quickly improved to over 15% during the last 2 years. However, the organic hole-transporting materials used are normally quite expensive due to complicated synthetic procedure or high-purity requirement. Here, we demonstrate the application of an effective and cheap inorganic p-type hole-transporting material, copper thiocyanate, on lead halide perovskite-based devices. With low-temperature solution-process deposition method, a power conversion efficiency of 12.4% was achieved under full sun illumination. This work represents a well-defined cell configuration with optimized perovskite morphology by two times of lead iodide deposition, and opens the door for integration of a class of abundant and inexpensive material for photovoltaic application. © 2014 Macmillan Publishers Limited.

  9. Inorganic hole conductor-based lead halide perovskite solar cells with 12.4% conversion efficiency

    KAUST Repository

    Qin, Peng; Tanaka, Soichiro; Ito, Seigo; Tetreault, Nicolas; Manabe, Kyohei; Nishino, Hitoshi; Nazeeruddin, Mohammad Khaja; Grä tzel, Michael

    2014-01-01

    Organo-lead halide perovskites have attracted much attention for solar cell applications due to their unique optical and electrical properties. With either low-temperature solution processing or vacuum evaporation, the overall conversion efficiencies of perovskite solar cells with organic hole-transporting material were quickly improved to over 15% during the last 2 years. However, the organic hole-transporting materials used are normally quite expensive due to complicated synthetic procedure or high-purity requirement. Here, we demonstrate the application of an effective and cheap inorganic p-type hole-transporting material, copper thiocyanate, on lead halide perovskite-based devices. With low-temperature solution-process deposition method, a power conversion efficiency of 12.4% was achieved under full sun illumination. This work represents a well-defined cell configuration with optimized perovskite morphology by two times of lead iodide deposition, and opens the door for integration of a class of abundant and inexpensive material for photovoltaic application. © 2014 Macmillan Publishers Limited.

  10. 76 FR 35072 - Proposed Guidance on Stress Testing for Banking Organizations With More Than $10 Billion in Total...

    Science.gov (United States)

    2011-06-15

    ... framework should be applied at various levels in the banking organization, such as business line, portfolio... a banking organization's overall strategy and annual and planning cycles. Results should be... part of the development and maintenance of a banking organization's contingency funding planning. \\6...

  11. Resonance Raman and excitation energy dependent charge transfer mechanism in halide-substituted hybrid perovskite solar cells.

    Science.gov (United States)

    Park, Byung-wook; Jain, Sagar M; Zhang, Xiaoliang; Hagfeldt, Anders; Boschloo, Gerrit; Edvinsson, Tomas

    2015-02-24

    Organo-metal halide perovskites (OMHPs) are materials with attractive properties for optoelectronics. They made a recent introduction in the photovoltaics world by methylammonium (MA) lead triiodide and show remarkably improved charge separation capabilities when chloride and bromide are added. Here we show how halide substitution in OMHPs with the nominal composition CH3NH3PbI2X, where X is I, Br, or Cl, influences the morphology, charge quantum yield, and local interaction with the organic MA cation. X-ray diffraction and photoluminescence data demonstrate that halide substitution affects the local structure in the OMHPs with separate MAPbI3 and MAPbCl3 phases. Raman spectroscopies as well as theoretical vibration calculations reveal that this at the same time delocalizes the charge to the MA cation, which can liberate the vibrational movement of the MA cation, leading to a more adaptive organic phase. The resonance Raman effect together with quantum chemical calculations is utilized to analyze the change in charge transfer mechanism upon electronic excitation and gives important clues for the mechanism of the much improved photovoltage and photocurrent also seen in the solar cell performance for the materials when chloride compounds are included in the preparation.

  12. Origins and mechanisms of hysteresis in organometal halide perovskites

    Science.gov (United States)

    Li, Cheng; Guerrero, Antonio; Zhong, Yu; Huettner, Sven

    2017-05-01

    Inorganic-organic halide organometal perovskites, such as CH3NH3PbI3 and CsPbI3, etc, have been an unprecedented rising star in the field of photovoltaics since 2009, owing to their exceptionally high power conversion efficiency and simple fabrication processability. Despite its relatively short history of development, intensive investigations have been concentrating on this material; these have ranged from crystal structure analysis and photophysical characterization to performance optimization and device integration, etc. Yet, when applied in photovoltaic devices, this material suffers from hysteresis, that is, the difference of the current-voltage (I-V) curve during sweeping in two directions (from short-circuit towards open-circuit and vice versa). This behavior may significantly impede its large-scale commercial application. This Review will focus on the recent theoretical and experimental efforts to reveal the origin and mechanism of hysteresis. The proposed origins include (1) ferroelectric polarization, (2) charge trapping/detrapping, and (3) ion migration. Among them, recent evidence consistently supports the idea that ion migration plays a key role for the hysteretic behavior in perovskite solar cells (PSCs). Hence, this Review will summarize the recent results on ion migration such as the migrating ion species, activation energy measurement, capacitive characterization, and internal electrical field modulation, etc. In addition, this Review will also present the devices with alleviation/elimination of hysteresis by incorporating either large-size grains or phenyl-C61-butyric acid methyl ester molecules. In a different application, the hysteretic property has been utilized in photovoltaic and memristive switching devices. In sum, by examining these three possible mechanisms, it is concluded that the origin of hysteresis in PSCs is associated with a combination of effects, but mainly limited by ion/defect migration. This strong interaction between ion

  13. Bright triplet excitons in caesium lead halide perovskites

    Science.gov (United States)

    Becker, Michael A.; Vaxenburg, Roman; Nedelcu, Georgian; Sercel, Peter C.; Shabaev, Andrew; Mehl, Michael J.; Michopoulos, John G.; Lambrakos, Samuel G.; Bernstein, Noam; Lyons, John L.; Stöferle, Thilo; Mahrt, Rainer F.; Kovalenko, Maksym V.; Norris, David J.; Rainò, Gabriele; Efros, Alexander L.

    2018-01-01

    Nanostructured semiconductors emit light from electronic states known as excitons. For organic materials, Hund’s rules state that the lowest-energy exciton is a poorly emitting triplet state. For inorganic semiconductors, similar rules predict an analogue of this triplet state known as the ‘dark exciton’. Because dark excitons release photons slowly, hindering emission from inorganic nanostructures, materials that disobey these rules have been sought. However, despite considerable experimental and theoretical efforts, no inorganic semiconductors have been identified in which the lowest exciton is bright. Here we show that the lowest exciton in caesium lead halide perovskites (CsPbX3, with X = Cl, Br or I) involves a highly emissive triplet state. We first use an effective-mass model and group theory to demonstrate the possibility of such a state existing, which can occur when the strong spin-orbit coupling in the conduction band of a perovskite is combined with the Rashba effect. We then apply our model to CsPbX3 nanocrystals, and measure size- and composition-dependent fluorescence at the single-nanocrystal level. The bright triplet character of the lowest exciton explains the anomalous photon-emission rates of these materials, which emit about 20 and 1,000 times faster than any other semiconductor nanocrystal at room and cryogenic temperatures, respectively. The existence of this bright triplet exciton is further confirmed by analysis of the fine structure in low-temperature fluorescence spectra. For semiconductor nanocrystals, which are already used in lighting, lasers and displays, these excitons could lead to materials with brighter emission. More generally, our results provide criteria for identifying other semiconductors that exhibit bright excitons, with potential implications for optoelectronic devices.

  14. New method to determine the total carbonyl functional group content in extractable particulate organic matter by tandem mass spectrometry.

    Science.gov (United States)

    Dron, J; Zheng, W; Marchand, N; Wortham, H

    2008-08-01

    A functional group analysis method was developed to determine the quantitative content of carbonyl functional groups in atmospheric particulate organic matter (POM) using constant neutral loss scanning-tandem mass spectrometry (CNLS-MS/MS). The neutral loss method consists in monitoring the loss of a neutral fragment produced by the fragmentation of a precursor ion in a collision cell. The only ions detected are the daughter ions resulting from the loss of the neutral fragment under study. Then, scanning the loss of a neutral fragment characteristic of a functional group enables the selective detection of the compounds bearing the chemical function under study within a complex mixture. The selective detection of carbonyl functional groups was achieved after derivatization with pentafluorophenylhydrazine (PFPH) by monitoring the neutral loss of C(6)F(5)N (181 amu), which was characteristic of a large panel of derivatized carbonyl compounds. The method was tested on 25 reference mixtures of different composition, all containing 24 carbonyl compounds at randomly determined concentrations. The repeatability and calibration tests were satisfying as they resulted in a relative standard deviation below 5% and a linear range between 0.01 and 0.65 mM with a calculated detection limit of 0.0035 mM. Also, the relative deviation induced by changing the composition of the mixture while keeping the total concentration of carbonyl functional groups constant was less than 20%. These reliability experiments demonstrate the high robustness of the developed procedure for accurate carbonyl functional group measurement, which was applied to atmospheric POM samples. Copyright (c) 2008 John Wiley & Sons, Ltd.

  15. SU-F-J-127: Multi-Institutional Evaluation of Setup, Organ Deformation, Precision Dosimetry in Total Marrow Irradiation

    International Nuclear Information System (INIS)

    Zuro, D; Hui, S

    2016-01-01

    Purpose: Totals Marrow Irradiation (TMI) is a highly focused radiation delivery to the human skeleton structure therefore requiring a high amount of precision and accuracy for a quality treatment. Not much is known on how the patient position varies across multiple treatment fractions and how that positioning impacts the dose delivery. Currently TMI is studied as an international collaboration with multiple centers around the world; however, many of these centers used different pretreatment techniques. The goal of this work is to measure the accuracy of patient positioning, its impact on dose delivery and compare the impact of each technique for multiple institutions. Methods: Using Tomotherapy pretreatment MVCTs and the planning KVCTs measurements are made of the 3D setup uncertainties of the TMI treatment. Then, using the dose and plan files of the treatment impact of patient position on dose can be measured. Measurement of organ deformation and center of mass change were done using the Velocity AI program from Varian. We are looking at four the boney targets (skull, spine, pelvis, and femur) and three key sensitive tissues (eyes, lungs, kidneys). Results: Position measurements have been made for 3 different institutions using 3 different pre-treatment techniques. Comparing the translation motion we can observe the greatest change in the Y and Z direction of patient set up. For intra-fractional motion the shoulder and clavicle represent the greatest potential for motion and therefore most likely to have a dose change. Conclusion: All centers use different techniques for their treatment and this study shows that these techniques do not produce the same pretreatment results. We hope to expand this study further. Currently we have 3 centers participating in this study with more centers joining every day.

  16. Flow-injection determination of total organic fluorine with off-line defluorination reaction on a solid sorbent bed.

    Science.gov (United States)

    Musijowski, Jacek; Trojanowicz, Marek; Szostek, Bogdan; da Costa Lima, José Luis Fontes; Lapa, Rui; Yamashita, Hiroki; Takayanagi, Toshio; Motomizu, Shoji

    2007-09-26

    Considering recent reports on widespread occurrence and concerns about perfluoroalkyl substances (PFAS) in environmental and biological systems, analysis of these compounds have gained much attention in recent years. Majority of analyte-specific methods are based on a LC/MS/MS or a GC/MS detection, however many environmental or biological studies would benefit from a total organic fluorine (TOF) determination. Presented work was aimed at developing a method for TOF determination. TOF is determined as an amount of inorganic fluoride obtained after defluorination reaction conducted off-line using sodium biphenyl reagent directly on the sorbent without elution of retained analytes. Recovered fluoride was analyzed using flow-injection system with either fluorimetric or potentiometric detection. The TOF method was tested using perfluorocarboxylic acids (PFCA), including perfluorooctanoic acid (PFOA), as model compounds. Considering low concentrations of PFAS in natural samples, solid-phase extraction as a preconcentration procedure was evaluated. Several carbon-based sorbents were tested, namely multi-wall carbon nanotubes, carbon nanofibres and activated carbon. Good sorption of all analytes was achieved and defluorination reaction was possible to carry out directly on a sorbent bed. Recoveries obtained for PFCAs, adsorbed on an activated carbon sorbent, and measured as TOF, were 99.5+/-1.7, 110+/-9.4, 95+/-26, 120+/-32, 110+/-12 for C4, C6, C8, C10 and C12-PFCA, respectively. Two flow systems that would enable the defluorination reaction and fluoride determination in a single system were designed and tested.

  17. SU-F-J-127: Multi-Institutional Evaluation of Setup, Organ Deformation, Precision Dosimetry in Total Marrow Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Zuro, D; Hui, S [University of Minnesota, Minneapolis, MN, CTMI Global Health Initiative (United States)

    2016-06-15

    Purpose: Totals Marrow Irradiation (TMI) is a highly focused radiation delivery to the human skeleton structure therefore requiring a high amount of precision and accuracy for a quality treatment. Not much is known on how the patient position varies across multiple treatment fractions and how that positioning impacts the dose delivery. Currently TMI is studied as an international collaboration with multiple centers around the world; however, many of these centers used different pretreatment techniques. The goal of this work is to measure the accuracy of patient positioning, its impact on dose delivery and compare the impact of each technique for multiple institutions. Methods: Using Tomotherapy pretreatment MVCTs and the planning KVCTs measurements are made of the 3D setup uncertainties of the TMI treatment. Then, using the dose and plan files of the treatment impact of patient position on dose can be measured. Measurement of organ deformation and center of mass change were done using the Velocity AI program from Varian. We are looking at four the boney targets (skull, spine, pelvis, and femur) and three key sensitive tissues (eyes, lungs, kidneys). Results: Position measurements have been made for 3 different institutions using 3 different pre-treatment techniques. Comparing the translation motion we can observe the greatest change in the Y and Z direction of patient set up. For intra-fractional motion the shoulder and clavicle represent the greatest potential for motion and therefore most likely to have a dose change. Conclusion: All centers use different techniques for their treatment and this study shows that these techniques do not produce the same pretreatment results. We hope to expand this study further. Currently we have 3 centers participating in this study with more centers joining every day.

  18. Photovoltaic Rudorffites: Lead-Free Silver Bismuth Halides Alternative to Hybrid Lead Halide Perovskites.

    Science.gov (United States)

    Turkevych, Ivan; Kazaoui, Said; Ito, Eisuke; Urano, Toshiyuki; Yamada, Koji; Tomiyasu, Hiroshi; Yamagishi, Hideo; Kondo, Michio; Aramaki, Shinji

    2017-10-09

    Hybrid CPbX 3 (C: Cs, CH 3 NH 3 ; X: Br, I) perovskites possess excellent photovoltaic properties but are highly toxic, which hinders their practical application. Unfortunately, all Pb-free alternatives based on Sn and Ge are extremely unstable. Although stable and non-toxic C 2 ABX 6 double perovskites based on alternating corner-shared AX 6 and BX 6 octahedra (A=Ag, Cu; B=Bi, Sb) are possible, they have indirect and wide band gaps of over 2 eV. However, is it necessary to keep the corner-shared perovskite structure to retain good photovoltaic properties? Here, we demonstrate another family of photovoltaic halides based on edge-shared AX 6 and BX 6 octahedra with the general formula A a B b X x (x=a+3 b) such as Ag 3 BiI 6 , Ag 2 BiI 5 , AgBiI 4 , AgBi 2 I 7 . As perovskites were named after their prototype oxide CaTiO 3 discovered by Lev Perovski, we propose to name these new ABX halides as rudorffites after Walter Rüdorff, who discovered their prototype oxide NaVO 2 . We studied structural and optoelectronic properties of several highly stable and promising Ag-Bi-I photovoltaic rudorffites that feature direct band gaps in the range of 1.79-1.83 eV and demonstrated a proof-of-concept FTO/c-m-TiO 2 /Ag 3 BiI 6 /PTAA/Au (FTO: fluorine-doped tin oxide, PTAA: poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine], c: compact, m: mesoporous) solar cell with photoconversion efficiency of 4.3 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Maximizing profit on New England organic dairy farms: an economic comparison of 4 total mixed rations for organic Holsteins and Jerseys.

    Science.gov (United States)

    Marston, S P; Clark, G W; Anderson, G W; Kersbergen, R J; Lunak, M; Marcinkowski, D P; Murphy, M R; Schwab, C G; Erickson, P S

    2011-06-01

    The objective of these experiments was to compare 4 total mixed rations fed to USDA-certified organic dairy cows in New England. Forty-eight Jersey cows from the University of New Hampshire (UNH) and 64 Holstein cows from the University of Maine (UMaine) were assigned to a 2 × 2 factorial arrangement of treatments testing the main effects of corn silage versus grass silage as the forage base and commodity concentrates versus a complete pelleted concentrate mixture. Treatment diets were fed as a total mixed ration for 8 wk during the winter and spring months of 2007, 2008, and 2009. Milk yield, component, and quality data were recorded and used to calculate the value of the milk produced for each cow. The dry matter intake (DMI) was recorded and used to calculate the average cost per cow per day of each diet. Income over feed costs were calculated for each diet using milk value and feed cost data. Feed cost and income over feed cost data were resampled using bootstrap methodology to examine potential patterns. Milk yield, milk fat and true protein concentrations, and SCC were similar among treatments. Cows at UNH fed corn silage tended to have higher DMI and lower milk urea nitrogen than did cows fed grass silage, whereas cows fed pellets had higher DMI than cows fed commodities. Cows at UNH fed commodities tended to have higher body condition scores than those fed pellets. Cows at UMaine fed commodities tended to have higher DMI than did cows fed pellets, and cows fed corn silage had lower milk urea nitrogen than did cows fed grass silage. Body weights and body condition scores were not different for cows at UMaine. Feed costs were significantly higher for corn silage diets and diets at UNH containing pellets, but not at UMaine. The calculated value of the milk and income over feed costs did not differ among treatments at either university. Bootstrap replications indicated that the corn silage with commodities diet generally had the highest feed cost at both UNH

  20. THERMODYNAMICS OF MICELLE FORMATION BY 1-METHYL-4-ALKYLPYRIDINIUM HALIDES

    NARCIS (Netherlands)

    BIJMA, K; ENGBERTS, JBFN; HAANDRIKMAN, G; VANOS, NM; BLANDAMER, MJ; BUTT, MD; CULLIS, PM

    This paper reports enthalpies of micellization for a series of 1-methyl-4-alkylpyridinium halide surfactants at 303.2 K with different lengths and degrees of branching of the 4-alkyl chain and different sizes of counterions using two microcalorimeters (LKB 2277 and Omega Microcal). The standard

  1. Empirical formula for the parameters of metallic monovalent halides ...

    African Journals Online (AJOL)

    By collating the data on melting properties and transport coefficients obtained from various experiments and theories for certain halides of monovalent metals, allinclusive linear relationship has been fashioned out. This expression holds between the change in entropy and volume on melting; it is approximately obeyed by ...

  2. Demixing in a metal halide lamp, results from modeling

    NARCIS (Netherlands)

    Beks, M.L.; Hartgers, A.; Mullen, van der J.J.A.M.; Veldhuizen, van E.M.

    2005-01-01

    Metal Halide (MH) lamps are high pressure discharge devices, containing a complex chemical mixture, to emit light on a broad spectrum while maintaining good efficacies. Lamps of this type were first exhibited by General Electric at the 1964 World Fair in New York [1]. They typically consist of an

  3. Monocrystallomimicry in the aerosols of ammonium and cesium halides

    International Nuclear Information System (INIS)

    Melikhov, I.V.; Kitova, E.N.; Kozlovskaya, EhD.; Kamenskaya, A.N.; Mikheev, N.B.; Kulyukhin, S.A.

    1997-01-01

    It is experimentally shown that initial CsI and NH 4 Hal nanocrystals combining into mixed aggregates of polyhedral form (pseudo monocrystals) are formed in the process of cocrystallization of ammonium halide and cesium iodide. The origination and growth of the pseudo monocrystals on the account of successive addition of initial crystals is described by the Fokker-Plank equation [ru

  4. Alternative route to metal halide free ionic liquids

    International Nuclear Information System (INIS)

    Takao, Koichiro; Ikeda, Yasuhisa

    2008-01-01

    An alternative synthetic route to metal halide free ionic liquids using trialkyloxonium salt is proposed. Utility of this synthetic route has been demonstrated by preparing 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid through the reaction between 1-methylimidazole and triethyloxonium tetra-fluoroborate in anhydrous ether. (author)

  5. Metal Halide Perovskite Polycrystalline Films Exhibiting Properties of Single Crystals

    NARCIS (Netherlands)

    Brenes, Roberto; Guo, D.; Osherov, Anna; Noel, Nakita K.; Eames, Christopher; Hutter, E.M.; Pathak, Sandeep K.; Niroui, Farnaz; Friend, Richard H.; Islam, M. Saiful; Snaith, Henry J.; Bulović, Vladimir; Savenije, T.J.; Stranks, Samuel D.

    2017-01-01

    Metal halide perovskites are generating enormous excitement for use in solar cells and light-emission applications, but devices still show substantial non-radiative losses. Here, we show that by combining light and atmospheric treatments, we can increase the internal luminescence quantum

  6. Spectroscopy on metal-halide lamps under varying gravity conditions

    NARCIS (Netherlands)

    Flikweert, A.J.

    2008-01-01

    Worldwide, 20% of all electricity is used for lighting. For this reason, efficient lamps are economically and ecologically important. High intensity discharge (HID) lamps are efficient lamps. The most common HID lamp these days is the metal-halide (MH) lamp. MH lamps have a good colour rendering

  7. Methyl halide emission estimates from domestic biomass burning in Africa

    Science.gov (United States)

    Mead, M. I.; Khan, M. A. H.; White, I. R.; Nickless, G.; Shallcross, D. E.

    Inventories of methyl halide emissions from domestic burning of biomass in Africa, from 1950 to the present day and projected to 2030, have been constructed. By combining emission factors from Andreae and Merlet [2001. Emission of trace gases and aerosols from biomass burning. Global Biogeochemical Cycles 15, 955-966], the biomass burning estimates from Yevich and Logan [2003. An assessment of biofuel use and burning of agricultural waste in the developing world. Global Biogeochemical Cycles 17(4), 1095, doi:10.1029/2002GB001952] and the population data from the UN population division, the emission of methyl halides from domestic biomass usage in Africa has been estimated. Data from this study suggest that methyl halide emissions from domestic biomass burning have increased by a factor of 4-5 from 1950 to 2005 and based on the expected population growth could double over the next 25 years. This estimated change has a non-negligible impact on the atmospheric budgets of methyl halides.

  8. Crystal growth, structure and phase studies on gold halides

    NARCIS (Netherlands)

    Janssen, Eugenius Maria Wilhelmus Janssen

    1977-01-01

    Only very corrosive substances attack gold, the most noble metal. In this study the reactivity and the phase diagrams of gold with the halogens chlorine, bromine and iodine have been investigated. owing to the noble behaviour of gold, its halides are sensitive to heat; on heating they decompose into

  9. Analysis and modeling of alkali halide aqueous solutions

    DEFF Research Database (Denmark)

    Kim, Sun Hyung; Anantpinijwatna, Amata; Kang, Jeong Won

    2016-01-01

    on calculations for various electrolyte properties of alkali halide aqueous solutions such as mean ionic activity coefficients, osmotic coefficients, and salt solubilities. The model covers highly nonideal electrolyte systems such as lithium chloride, lithium bromide and lithium iodide, that is, systems...

  10. Strong Carrier-Phonon Coupling in Lead Halide Perovskite Nanocrystals

    NARCIS (Netherlands)

    Iaru, Claudiu M; Geuchies, Jaco J|info:eu-repo/dai/nl/370526090; Koenraad, Paul M; Vanmaekelbergh, Daniël|info:eu-repo/dai/nl/304829137; Silov, Andrei Yu

    2017-01-01

    We highlight the importance of carrier-phonon coupling in inorganic lead halide perovskite nanocrystals. The low-temperature photoluminescence (PL) spectrum of CsPbBr3 has been investigated under a nonresonant and a nonstandard, quasi-resonant excitation scheme, and phonon replicas of the main PL

  11. TECHNICAL JUSTIFICATION FOR CHOOSING PROPANE AS A CALIBRATION AGENT FOR TOTAL FLAMMABLE VOLATILE ORGANIC COMPOUND (VOC) DETERMINATIONS

    International Nuclear Information System (INIS)

    DOUGLAS, J.G.

    2006-01-01

    This document presents the technical justification for choosing and using propane as a calibration standard for estimating total flammable volatile organic compounds (VOCs) in an air matrix. A propane-in-nitrogen standard was selected based on a number of criteria: (1) has an analytical response similar to the VOCs of interest, (2) can be made with known accuracy and traceability, (3) is available with good purity, (4) has a matrix similar to the sample matrix, (5) is stable during storage and use, (6) is relatively non-hazardous, and (7) is a recognized standard for similar analytical applications. The Waste Retrieval Project (WRP) desires a fast, reliable, and inexpensive method for screening the flammable VOC content in the vapor-phase headspace of waste containers. Table 1 lists the flammable VOCs of interest to the WRP. The current method used to determine the VOC content of a container is to sample the container's headspace and submit the sample for gas chromatography--mass spectrometry (GC-MS) analysis. The driver for the VOC measurement requirement is safety: potentially flammable atmospheres in the waste containers must be allowed to diffuse prior to processing the container. The proposed flammable VOC screening method is to inject an aliquot of the headspace sample into an argon-doped pulsed-discharge helium ionization detector (Ar-PDHID) contained within a gas chromatograph. No actual chromatography is performed; the sample is transferred directly from a sample loop to the detector through a short, inert transfer line. The peak area resulting from the injected sample is proportional to the flammable VOC content of the sample. However, because the Ar-PDHID has different response factors for different flammable VOCs, a fundamental assumption must be made that the agent used to calibrate the detector is representative of the flammable VOCs of interest that may be in the headspace samples. At worst, we desire that calibration with the selected calibrating

  12. Spatial Variation of Soil Organic Carbon and Total Nitrogen in the Coastal Area of Mid-Eastern China.

    Science.gov (United States)

    Xu, Yan; Pu, Lijie; Liao, Qilin; Zhu, Ming; Yu, Xue; Mao, Tianying; Xu, Chenxing

    2017-07-14

    Soils play an important role in sequestrating atmospheric CO₂. Coastal tidal flats have been intensively reclaimed for food security and living spaces worldwide. We aimed to identify the changes of soil organic carbon (SOC) and total nitrogen (TN) following coastal reclamation and their spatial variation in the coastal area of mid-Eastern China to provide information for coastal cropland management. We measured SOC and TN of 463 soil samples in the coastal plain of mid-Eastern China. The results showed that SOC and TN increased highly from the uncultivated coastal tidal flat (2.49 g·kg -1 and 0.21 g·kg -1 , respectively) to the cropland (10.73 g·kg -1 and 1.3 g·kg -1 , respectively). After long-term cultivation, SOC and TN in the old farmland (12.98 g·kg -1 and 1.49 g·kg -1 , respectively) were greater than those in the young farmland (5.76 g·kg -1 and 0.86 g·kg -1 , respectively). The density of SOC in the uncultivated coastal tidal flat, young farmland, and old farmland were 0.68 kg·C·m -2 , 1.52 kg·C·m -2 , and 3.31 kg·C·m -2 , respectively. The density of TN in the uncultivated coastal tidal flat, young farmland and old farmland were 0.05 kg·N·m -2 , 0.23 kg·N·m -2 , and 0.38 kg·N·m -2 , respectively. The C/N (11.17) in the uncultivated coastal tidal flat was highest comparing to that in the young and old farmland due to lower nitrogen. The C/N increased from 6.78 to 8.71 following cultivation. Reclaimed coastal tidal flats had high carbon and nitrogen sequestration potential that not only mitigated the threat of global warming, but also improved soil fertility for crop production. Coastal management of cropland should consider the spatial distribution of SOC and TN to improve ecosystem services of coastal soils.

  13. Maximizing and stabilizing luminescence from halide perovskites with potassium passivation

    Science.gov (United States)

    Abdi-Jalebi, Mojtaba; Andaji-Garmaroudi, Zahra; Cacovich, Stefania; Stavrakas, Camille; Philippe, Bertrand; Richter, Johannes M.; Alsari, Mejd; Booker, Edward P.; Hutter, Eline M.; Pearson, Andrew J.; Lilliu, Samuele; Savenije, Tom J.; Rensmo, Håkan; Divitini, Giorgio; Ducati, Caterina; Friend, Richard H.; Stranks, Samuel D.

    2018-03-01

    Metal halide perovskites are of great interest for various high-performance optoelectronic applications. The ability to tune the perovskite bandgap continuously by modifying the chemical composition opens up applications for perovskites as coloured emitters, in building-integrated photovoltaics, and as components of tandem photovoltaics to increase the power conversion efficiency. Nevertheless, performance is limited by non-radiative losses, with luminescence yields in state-of-the-art perovskite solar cells still far from 100 per cent under standard solar illumination conditions. Furthermore, in mixed halide perovskite systems designed for continuous bandgap tunability (bandgaps of approximately 1.7 to 1.9 electronvolts), photoinduced ion segregation leads to bandgap instabilities. Here we demonstrate substantial mitigation of both non-radiative losses and photoinduced ion migration in perovskite films and interfaces by decorating the surfaces and grain boundaries with passivating potassium halide layers. We demonstrate external photoluminescence quantum yields of 66 per cent, which translate to internal yields that exceed 95 per cent. The high luminescence yields are achieved while maintaining high mobilities of more than 40 square centimetres per volt per second, providing the elusive combination of both high luminescence and excellent charge transport. When interfaced with electrodes in a solar cell device stack, the external luminescence yield—a quantity that must be maximized to obtain high efficiency—remains as high as 15 per cent, indicating very clean interfaces. We also demonstrate the inhibition of transient photoinduced ion-migration processes across a wide range of mixed halide perovskite bandgaps in materials that exhibit bandgap instabilities when unpassivated. We validate these results in fully operating solar cells. Our work represents an important advance in the construction of tunable metal halide perovskite films and interfaces that can

  14. Electrochemistry and Spectroelectrochemistry of Lead Halide Perovskite Films: Materials Science Aspects and Boundary Conditions.

    Science.gov (United States)

    Samu, Gergely F; Scheidt, Rebecca A; Kamat, Prashant V; Janáky, Csaba

    2018-02-13

    The unique optoelectronic properties of lead halide perovskites have triggered a new wave of excitement in materials chemistry during the past five years. Electrochemistry, spectroelectrochemistry, and photoelectrochemistry could be viable tools both for analyzing the optoelectronic features of these materials and for assembling them into hybrid architectures (e.g., solar cells). At the same time, the instability of these materials limits the pool of solvents and electrolytes that can be employed in such experiments. The focus of our study is to establish a stability window for electrochemical tests for all-inorganic CsPbBr 3 and hybrid organic-inorganic MAPbI 3 perovskites. In addition, we aimed to understand the reduction and oxidation events that occur and to assess the damage done during these processes at extreme electrochemical conditions. In this vein, we demonstrated the chemical, structural, and morphological changes of the films in both reductive and oxidative environments. Taking all these results together as a whole, we propose a set of boundary conditions and protocols for how electrochemical experiments with lead halide perovskites should be carried out and interpreted. The presented results will contribute to the understanding of the electrochemical response of these materials and lead to a standardization of results in the literature so that comparisons can more easily be made.

  15. Electrochemistry and Spectroelectrochemistry of Lead Halide Perovskite Films: Materials Science Aspects and Boundary Conditions

    KAUST Repository

    Samu, Gergely F.; Scheidt, Rebecca A; Kamat, Prashant V.; Janá ky, Csaba

    2017-01-01

    The unique optoelectronic properties of lead halide perovskites have triggered a new wave of excitement in materials chemistry during the past five years. Electrochemistry, spectroelectrochemistry, and photoelectrochemistry could be viable tools both for analyzing the optoelectronic features of these materials and to assemble their hybrid architectures (e.g., solar cells). At the same time, the instability of these materials limits the pool of solvents and electrolytes that can be employed in such experiments. The focus of our study is to establish a stability window for electrochemical tests for all-inorganic CsPbBr3 and hybrid organic-inorganic MaPbI3 perovskites. In addition, we aimed to understand the reduction and oxidation events that occur and to assess the damage done during these processes at extreme electrochemical conditions. In this vein, we demonstrated the chemical, structural, and morphological changes of the films in both reductive and oxidative environments. Taking all these results together as a whole, we propose a set of boundary conditions and protocols for how electrochemical experiments with lead halide perovskites should be carried out and interpreted. We believe that the presented results will contribute to the understanding of the electrochemical response of these materials and lead to a standardization of results in the literature so that easier comparisons can be made.

  16. Solution growth of single crystal methylammonium lead halide perovskite nanostructures for optoelectronic and photovoltaic applications.

    Science.gov (United States)

    Fu, Yongping; Meng, Fei; Rowley, Matthew B; Thompson, Blaise J; Shearer, Melinda J; Ma, Dewei; Hamers, Robert J; Wright, John C; Jin, Song

    2015-05-06

    Understanding crystal growth and improving material quality is important for improving semiconductors for electronic, optoelectronic, and photovoltaic applications. Amidst the surging interest in solar cells based on hybrid organic-inorganic lead halide perovskites and the exciting progress in device performance, improved understanding and better control of the crystal growth of these perovskites could further boost their optoelectronic and photovoltaic performance. Here, we report new insights on the crystal growth of the perovskite materials, especially crystalline nanostructures. Specifically, single crystal nanowires, nanorods, and nanoplates of methylammonium lead halide perovskites (CH3NH3PbI3 and CH3NH3PbBr3) are successfully grown via a dissolution-recrystallization pathway in a solution synthesis from lead iodide (or lead acetate) films coated on substrates. These single crystal nanostructures display strong room-temperature photoluminescence and long carrier lifetime. We also report that a solid-liquid interfacial conversion reaction can create a highly crystalline, nanostructured MAPbI3 film with micrometer grain size and high surface coverage that enables photovoltaic devices with a power conversion efficiency of 10.6%. These results suggest that single-crystal perovskite nanostructures provide improved photophysical properties that are important for fundamental studies and future applications in nanoscale optoelectronic and photonic devices.

  17. In Situ Preparation of Metal Halide Perovskite Nanocrystal Thin Films for Improved Light-Emitting Devices.

    Science.gov (United States)

    Zhao, Lianfeng; Yeh, Yao-Wen; Tran, Nhu L; Wu, Fan; Xiao, Zhengguo; Kerner, Ross A; Lin, YunHui L; Scholes, Gregory D; Yao, Nan; Rand, Barry P

    2017-04-25

    Hybrid organic-inorganic halide perovskite semiconductors are attractive candidates for optoelectronic applications, such as photovoltaics, light-emitting diodes, and lasers. Perovskite nanocrystals are of particular interest, where electrons and holes can be confined spatially, promoting radiative recombination. However, nanocrystalline films based on traditional colloidal nanocrystal synthesis strategies suffer from the use of long insulating ligands, low colloidal nanocrystal concentration, and significant aggregation during film formation. Here, we demonstrate a facile method for preparing perovskite nanocrystal films in situ and that the electroluminescence of light-emitting devices can be enhanced up to 40-fold through this nanocrystal film formation strategy. Briefly, the method involves the use of bulky organoammonium halides as additives to confine crystal growth of perovskites during film formation, achieving CH 3 NH 3 PbI 3 and CH 3 NH 3 PbBr 3 perovskite nanocrystals with an average crystal size of 5.4 ± 0.8 nm and 6.4 ± 1.3 nm, respectively, as confirmed through transmission electron microscopy measurements. Additive-confined perovskite nanocrystals show significantly improved photoluminescence quantum yield and decay lifetime. Finally, we demonstrate highly efficient CH 3 NH 3 PbI 3 red/near-infrared LEDs and CH 3 NH 3 PbBr 3 green LEDs based on this strategy, achieving an external quantum efficiency of 7.9% and 7.0%, respectively, which represent a 40-fold and 23-fold improvement over control devices fabricated without the additives.

  18. Visualizing Carrier Transport in Metal Halide Perovskite Nanoplates via Electric Field Modulated Photoluminescence Imaging.

    Science.gov (United States)

    Hu, Xuelu; Wang, Xiao; Fan, Peng; Li, Yunyun; Zhang, Xuehong; Liu, Qingbo; Zheng, Weihao; Xu, Gengzhao; Wang, Xiaoxia; Zhu, Xiaoli; Pan, Anlian

    2018-05-09

    Metal halide perovskite nanostructures have recently been the focus of intense research due to their exceptional optoelectronic properties and potential applications in integrated photonics devices. Charge transport in perovskite nanostructure is a crucial process that defines efficiency of optoelectronic devices but still requires a deep understanding. Herein, we report the study of the charge transport, particularly the drift of minority carrier in both all-inorganic CsPbBr 3 and organic-inorganic hybrid CH 3 NH 3 PbBr 3 perovskite nanoplates by electric field modulated photoluminescence (PL) imaging. Bias voltage dependent elongated PL emission patterns were observed due to the carrier drift at external electric fields. By fitting the drift length as a function of electric field, we obtained the carrier mobility of about 28 cm 2 V -1 S -1 in the CsPbBr 3 perovskite nanoplate. The result is consistent with the spatially resolved PL dynamics measurement, confirming the feasibility of the method. Furthermore, the electric field modulated PL imaging is successfully applied to the study of temperature-dependent carrier mobility in CsPbBr 3 nanoplates. This work not only offers insights for the mobile carrier in metal halide perovskite nanostructures, which is essential for optimizing device design and performance prediction, but also provides a novel and simple method to investigate charge transport in many other optoelectronic materials.

  19. Observation of Quantum Confinement in Monodisperse Methylammonium Lead Halide Perovskite Nanocrystals Embedded in Mesoporous Silica.

    Science.gov (United States)

    Malgras, Victor; Tominaka, Satoshi; Ryan, James W; Henzie, Joel; Takei, Toshiaki; Ohara, Koji; Yamauchi, Yusuke

    2016-10-13

    Hybrid organic-inorganic metal halide perovskites have fascinating electronic properties and have already been implemented in various devices. Although the behavior of bulk metal halide perovskites has been widely studied, the properties of perovskite nanocrystals are less well-understood because synthesizing them is still very challenging, in part because of stability. Here we demonstrate a simple and versatile method to grow monodisperse CH 3 NH 3 PbBr x I x-3 perovskite nanocrystals inside mesoporous silica templates. The size of the nanocrystal is governed by the pore size of the templates (3.3, 3.7, 4.2, 6.2, and 7.1 nm). In-depth structural analysis shows that the nanocrystals maintain the perovskite crystal structure, but it is slightly distorted. Quantum confinement was observed by tuning the size of the particles via the template. This approach provides an additional route to tune the optical bandgap of the nanocrystal. The level of quantum confinement was modeled taking into account the dimensions of the rod-shaped nanocrystals and their close packing inside the channels of the template. Photoluminescence measurements on CH 3 NH 3 PbBr clearly show a shift from green to blue as the pore size is decreased. Synthesizing perovskite nanostructures in templates improves their stability and enables tunable electronic properties via quantum confinement. These structures may be useful as reference materials for comparison with other perovskites, or as functional materials in all solid-state light-emitting diodes.

  20. Progress on Perovskite Materials and Solar Cells with Mixed Cations and Halide Anions.

    Science.gov (United States)

    Ono, Luis K; Juarez-Perez, Emilio J; Qi, Yabing

    2017-09-13

    Organic-inorganic halide perovskite materials (e.g., MAPbI 3 , FAPbI 3 , etc.; where MA = CH 3 NH 3 + , FA = CH(NH 2 ) 2 + ) have been studied intensively for photovoltaic applications. Major concerns for the commercialization of perovskite photovoltaic technology to take off include lead toxicity, long-term stability, hysteresis, and optimal bandgap. Therefore, there is still need for further exploration of alternative candidates. Elemental composition engineering of MAPbI 3 and FAPbI 3 has been proposed to address the above concerns. Among the best six certified power conversion efficiencies reported by National Renewable Energy Laboratory on perovskite-based solar cells, five are based on mixed perovskites (e.g., MAPbI 1-x Br x , FA 0.85 MA 0.15 PbI 2.55 Br 0.45 , Cs 0.1 FA 0.75 MA 0.15 PbI 2.49 Br 0.51 ). In this paper, we review the recent progress on the synthesis and fundamental aspects of mixed cation and halide perovskites correlating with device performance, long-term stability, and hysteresis. In the outlook, we outline the future research directions based on the reported results as well as related topics that warrant further investigation.

  1. Intrinsic Defect Physics in Indium-based Lead-free Halide Double Perovskites.

    Science.gov (United States)

    Xu, Jian; Liu, Jian-Bo; Liu, Bai-Xin; Huang, Bing

    2017-09-21

    Lead-free halide double perovskites (HDPs) are expected to be promising photovoltaic (PV) materials beyond organic-inorganic halide perovskite, which is hindered by its structural instability and toxicity. The defect- and stability-related properties of HDPs are critical for the use of HDPs as important PV absorbers, yet their reliability is still unclear. Taking Cs 2 AgInBr 6 as a representative, we have systemically investigated the defect properties of HDPs by theoretical calculations. First, we have determined the stable chemical potential regions to grow stoichiometric Cs 2 AgInBr 6 without structural decomposition. Second, we reveal that Ag-rich and Br-poor are the ideal chemical potential conditions to grow n-type Cs 2 AgInBr 6 with shallow defect levels. Third, we find the conductivity of Cs 2 AgInBr 6 can change from good n-type, to poorer n-type, to intrinsic semiconducting depending on the growth conditions. Our studies provided important guidance for experiments to fabricate Pb-free perovskite-based solar cell devices with superior PV performances.

  2. Electrochemistry and Spectroelectrochemistry of Lead Halide Perovskite Films: Materials Science Aspects and Boundary Conditions

    KAUST Repository

    Samu, Gergely F.

    2017-12-06

    The unique optoelectronic properties of lead halide perovskites have triggered a new wave of excitement in materials chemistry during the past five years. Electrochemistry, spectroelectrochemistry, and photoelectrochemistry could be viable tools both for analyzing the optoelectronic features of these materials and to assemble their hybrid architectures (e.g., solar cells). At the same time, the instability of these materials limits the pool of solvents and electrolytes that can be employed in such experiments. The focus of our study is to establish a stability window for electrochemical tests for all-inorganic CsPbBr3 and hybrid organic-inorganic MaPbI3 perovskites. In addition, we aimed to understand the reduction and oxidation events that occur and to assess the damage done during these processes at extreme electrochemical conditions. In this vein, we demonstrated the chemical, structural, and morphological changes of the films in both reductive and oxidative environments. Taking all these results together as a whole, we propose a set of boundary conditions and protocols for how electrochemical experiments with lead halide perovskites should be carried out and interpreted. We believe that the presented results will contribute to the understanding of the electrochemical response of these materials and lead to a standardization of results in the literature so that easier comparisons can be made.

  3. 78 FR 59791 - Annual Company-Run Stress Tests at Banking Organizations With Total Consolidated Assets of More...

    Science.gov (United States)

    2013-09-30

    ... bank on its Consolidated Financial Statements for Bank Holding Companies (FR Y-9C) or Consolidated... companies with $50 billion or more in total consolidated assets and any non-bank financial companies... with total consolidated assets of $50 billion or more and nonbank financial companies supervised by the...

  4. Electrochemical Exfoliation of Graphite in Aqueous Sodium Halide Electrolytes toward Low Oxygen Content Graphene for Energy and Environmental Applications.

    Science.gov (United States)

    Munuera, J M; Paredes, J I; Enterría, M; Pagán, A; Villar-Rodil, S; Pereira, M F R; Martins, J I; Figueiredo, J L; Cenis, J L; Martínez-Alonso, A; Tascón, J M D

    2017-07-19

    Graphene and graphene-based materials have shown great promise in many technological applications, but their large-scale production and processing by simple and cost-effective means still constitute significant issues in the path of their widespread implementation. Here, we investigate a straightforward method for the preparation of a ready-to-use and low oxygen content graphene material that is based on electrochemical (anodic) delamination of graphite in aqueous medium with sodium halides as the electrolyte. Contrary to previous conflicting reports on the ability of halide anions to act as efficient exfoliating electrolytes in electrochemical graphene exfoliation, we show that proper choice of both graphite electrode (e.g., graphite foil) and sodium halide concentration readily leads to the generation of large quantities of single-/few-layer graphene nanosheets possessing a degree of oxidation (O/C ratio down to ∼0.06) lower than that typical of anodically exfoliated graphenes obtained with commonly used electrolytes. The halide anions are thought to play a role in mitigating the oxidation of the graphene lattice during exfoliation, which is also discussed and rationalized. The as-exfoliated graphene materials exhibited a three-dimensional morphology that was suitable for their practical use without the need to resort to any kind of postproduction processing. When tested as dye adsorbents, they outperformed many previously reported graphene-based materials (e.g., they adsorbed ∼920 mg g -1 for methyl orange) and were useful sorbents for oils and nonpolar organic solvents. Supercapacitor cells assembled directly from the as-exfoliated products delivered energy and power density values (up to 15.3 Wh kg -1 and 3220 W kg -1 , respectively) competitive with those of many other graphene-based devices but with the additional advantage of extreme simplicity of preparation.

  5. Spectral and Dynamical Properties of Single Excitons, Biexcitons, and Trions in Cesium-Lead-Halide Perovskite Quantum Dots.

    Science.gov (United States)

    Makarov, Nikolay S; Guo, Shaojun; Isaienko, Oleksandr; Liu, Wenyong; Robel, István; Klimov, Victor I

    2016-04-13

    Organic-inorganic lead-halide perovskites have been the subject of recent intense interest due to their unusually strong photovoltaic performance. A new addition to the perovskite family is all-inorganic Cs-Pb-halide perovskite nanocrystals, or quantum dots, fabricated via a moderate-temperature colloidal synthesis. While being only recently introduced to the research community, these nanomaterials have already shown promise for a range of applications from color-converting phosphors and light-emitting diodes to lasers, and even room-temperature single-photon sources. Knowledge of the optical properties of perovskite quantum dots still remains vastly incomplete. Here we apply various time-resolved spectroscopic techniques to conduct a comprehensive study of spectral and dynamical characteristics of single- and multiexciton states in CsPbX3 nanocrystals with X being either Br, I, or their mixture. Specifically, we measure exciton radiative lifetimes, absorption cross-sections, and derive the degeneracies of the band-edge electron and hole states. We also characterize the rates of intraband cooling and nonradiative Auger recombination and evaluate the strength of exciton-exciton coupling. The overall conclusion of this work is that spectroscopic properties of Cs-Pb-halide quantum dots are largely similar to those of quantum dots of more traditional semiconductors such as CdSe and PbSe. At the same time, we observe some distinctions including, for example, an appreciable effect of the halide identity on radiative lifetimes, considerably shorter biexciton Auger lifetimes, and apparent deviation of their size dependence from the "universal volume scaling" previously observed for many traditional nanocrystal systems. The high efficiency of Auger decay in perovskite quantum dots is detrimental to their prospective applications in light-emitting devices and lasers. This points toward the need for the development of approaches for effective suppression of Auger

  6. German standard methods for the examination of water, waste water and sludge: General measurements of effects and substances (group H), determination of total organic carbon (TOC) (H 3)

    International Nuclear Information System (INIS)

    1982-01-01

    The following method for the determination of the total organic bound carbon is proposed. The carbon of the organic compounds is oxidized to carbon dioxide. There are three oxidation possibilities. Combustion, oxidation with proper oxidation agents in the solution and oxidation by irradiation of ultraviolette light. The resulting carbon dioxide or the possible reduction product methane are analysed with the following measuring instruments: Infrared spectroscopy, acidimetry, coulometry, conductometry, CO 2 sensitive electrodes, heat conductivity detection and flame ionisation detection. (VG) [de

  7. Fourier transform infrared spectroscopy, a new method for rapid determination of total organic and inorganic carbon and biogenic silica concentration in lake sediments

    DEFF Research Database (Denmark)

    Rosén, Peter; Vogel, Hendrik; Cunningham, Laura

    2010-01-01

    We demonstrate the use of Fourier transform infrared spectroscopy (FTIRS) to make quantitative measures of total organic carbon (TOC), total inorganic carbon (TIC) and biogenic silica (BSi) concentrations in sediment. FTIRS is a fast and cost-effective technique and only small sediment samples...... varied between r = 0.84-0.99 for TOC, r = 0.85-0.99 for TIC, and r = 0.68-0.94 for BSi. Because FTIR spectra contain information on a large number of both inorganic and organic components, there is great potential for FTIRS to become an important tool in paleolimnology....

  8. High-Purity Hybrid Organolead Halide Perovskite Nanoparticles Obtained by Pulsed-Laser Irradiation in Liquid

    KAUST Repository

    Amendola, Vincenzo

    2016-11-17

    Nanoparticles of hybrid organic-inorganic perovskites have attracted a great deal of attention due to their variety of optoelectronic properties, their low cost, and their easier integration into devices with complex geometry, compared with microcrystalline, thin-film, or bulk metal halides. Here we present a novel one-step synthesis of organolead bromide perovskite nanocrystals based on pulsed-laser irradiation in a liquid environment (PLIL). Starting from a bulk CHNHPbBr crystal, our PLIL procedure does not involve the use of high-boiling-point polar solvents or templating agents, and runs at room temperature. The resulting nanoparticles are characterized by high crystallinity and are completely free of any microscopic product or organic coating layer. We also demonstrate the straightforward inclusion of laser-generated perovskite nanocrystals in a polymeric matrix to form a nanocomposite with single- and two-photon luminescence properties.

  9. Biexciton Auger Recombination Differs in Hybrid and Inorganic Halide Perovskite Quantum Dots.

    Science.gov (United States)

    Eperon, Giles E; Jedlicka, Erin; Ginger, David S

    2018-01-04

    We use time-resolved photoluminescence measurements to determine the biexciton Auger recombination rate in both hybrid organic-inorganic and fully inorganic halide perovskite nanocrystals as a function of nanocrystal volume. We find that the volume scaling of the biexciton Auger rate in the hybrid perovskites, containing a polar organic A-site cation, is significantly shallower than in the fully inorganic Cs-based nanocrystals. As the nanocrystals become smaller, the Auger rate in the hybrid nanocrystals increases even less than expected, compared to the fully inorganic nanocrystals, which already show a shallower volume dependence than other material systems such as chalcogenide quantum dots. This finding suggests there may be differences in the strength of Coulombic interactions between the fully inorganic and hybrid perovskites, which may prove to be crucial in selecting materials to obtain the highest performing devices in the future, and hints that there could be something "special" about the hybrid materials.

  10. Warming and organic matter sources impact the proportion of dissolved to total activities in marine extracellular enzymatic rates

    KAUST Repository

    Baltar, Federico; Moran, Xose Anxelu G.; Lø nborg, Christian

    2017-01-01

    Extracellular enzymatic activities (EEAs) are the rate-limiting step in the degradation of organic matter. Extracellular enzymes can be found associated to cells or dissolved in the surrounding water. The proportion of cell-free EEA constitutes

  11. A Study on Education and the Organization of School Libraries in the Perspective of Total Quality Management

    Directory of Open Access Journals (Sweden)

    Cengiz Aslan

    2017-06-01

    Full Text Available The arrangement of enriched school libraries (Z Library established by the Republic of Turkey Ministry of National Education are analyzed in the perspective of total quality management in terms of institutionalization and supervision, goals and productivity.

  12. Exposure to Inhalable Dust, Endotoxin, and Total Volatile Organic Carbons on Dairy Farms Using Manual and Automated Feeding Systems

    DEFF Research Database (Denmark)

    Basinas, Ioannis; Cronin, Garvin; Hogan, Victoria

    2017-01-01

    Introduction: Agricultural workers tend to have high exposures to organic dusts which may induce or exacerbate respiratory disorders. Studies investigating the effect of work tasks and farm characteristics on organic dust exposures among farm workers suggest that handling of animal feed is an imp...... feeding. Until effective permanent engineering controls are established farm workers should be encouraged to wear respiratory protective equipment during these tasks....... of exposure to these agents depend on the applied feeding system in the farms. Methods: Thirty-eight personal exposure measurements were collected from farmers across seven dairy farms. The farms used manual, loft, or semi-automated feeding systems. Information on worker tasks and farm characteristics...

  13. Parity-Forbidden Transitions and Their Impact on the Optical Absorption Properties of Lead-Free Metal Halide Perovskites and Double Perovskites.

    Science.gov (United States)

    Meng, Weiwei; Wang, Xiaoming; Xiao, Zewen; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

    2017-07-06

    Using density functional theory calculations, we analyze the optical absorption properties of lead (Pb)-free metal halide perovskites (AB 2+ X 3 ) and double perovskites (A 2 B + B 3+ X 6 ) (A = Cs or monovalent organic ion, B 2+ = non-Pb divalent metal, B + = monovalent metal, B 3+ = trivalent metal, X = halogen). We show that if B 2+ is not Sn or Ge, Pb-free metal halide perovskites exhibit poor optical absorptions because of their indirect band gap nature. Among the nine possible types of Pb-free metal halide double perovskites, six have direct band gaps. Of these six types, four show inversion symmetry-induced parity-forbidden or weak transitions between band edges, making them not ideal for thin-film solar cell applications. Only one type of Pb-free double perovskite shows optical absorption and electronic properties suitable for solar cell applications, namely, those with B + = In, Tl and B 3+ = Sb, Bi. Our results provide important insights for designing new metal halide perovskites and double perovskites for optoelectronic applications.

  14. Inverse kinetic solvent isotope effect in TiO2 photocatalytic dehalogenation of non-adsorbable aromatic halides: a proton-induced pathway.

    Science.gov (United States)

    Chang, Wei; Sun, Chunyan; Pang, Xibin; Sheng, Hua; Li, Yue; Ji, Hongwei; Song, Wenjing; Chen, Chuncheng; Ma, Wanhong; Zhao, Jincai

    2015-02-09

    An efficient redox reaction between organic substrates in solution and photoinduced h(+) vb /e(-) cb on the surface of photocatalysts requires the substrates or solvent to be adsorbed onto the surface, and is consequentially marked by a normal kinetic solvent isotope effect (KSIE ≥ 1). Reported herein is a universal inverse KSIE (0.6-0.8 at 298 K) for the reductive dehalogenation of aromatic halides which cannot adsorb onto TiO2 in a [D0 ]methanol/[D4 ]methanol solution. Combined with in situ ATR-FTIR spectroscopy investigations, a previously unknown pathway for the transformation of these aromatic halides in TiO2 photocatalysis was identified: a proton adduct intermediate, induced by released H(+) /D(+) from solvent oxidation, accompanies a change in hybridization from sp(2) to sp(3) at a carbon atom of the aromatic halides. The protonation event leads these aromatic halides to adsorb onto the TiO2 surface and an ET reaction to form dehalogenated products follows. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Nanocrystals of Cesium Lead Halide Perovskites (CsPbX₃, X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut.

    Science.gov (United States)

    Protesescu, Loredana; Yakunin, Sergii; Bodnarchuk, Maryna I; Krieg, Franziska; Caputo, Riccarda; Hendon, Christopher H; Yang, Ruo Xi; Walsh, Aron; Kovalenko, Maksym V

    2015-06-10

    Metal halides perovskites, such as hybrid organic-inorganic CH3NH3PbI3, are newcomer optoelectronic materials that have attracted enormous attention as solution-deposited absorbing layers in solar cells with power conversion efficiencies reaching 20%. Herein we demonstrate a new avenue for halide perovskites by designing highly luminescent perovskite-based colloidal quantum dot materials. We have synthesized monodisperse colloidal nanocubes (4-15 nm edge lengths) of fully inorganic cesium lead halide perovskites (CsPbX3, X = Cl, Br, and I or mixed halide systems Cl/Br and Br/I) using inexpensive commercial precursors. Through compositional modulations and quantum size-effects, the bandgap energies and emission spectra are readily tunable over the entire visible spectral region of 410-700 nm. The photoluminescence of CsPbX3 nanocrystals is characterized by narrow emission line-widths of 12-42 nm, wide color gamut covering up to 140% of the NTSC color standard, high quantum yields of up to 90%, and radiative lifetimes in the range of 1-29 ns. The compelling combination of enhanced optical properties and chemical robustness makes CsPbX3 nanocrystals appealing for optoelectronic applications, particularly for blue and green spectral regions (410-530 nm), where typical metal chalcogenide-based quantum dots suffer from photodegradation.

  16. Transformation of Sintered CsPbBr3 Nanocrystals to Cubic CsPbI3 and Gradient CsPbBrxI3-x through Halide Exchange.

    Science.gov (United States)

    Hoffman, Jacob B; Schleper, A Lennart; Kamat, Prashant V

    2016-07-13

    All-inorganic cesium lead halide (CsPbX3, X = Br(-), I(-)) perovskites could potentially provide comparable photovoltaic performance with enhanced stability compared to organic-inorganic lead halide species. However, small-bandgap cubic CsPbI3 has been difficult to study due to challenges forming CsPbI3 in the cubic phase. Here, a low-temperature procedure to form cubic CsPbI3 has been developed through a halide exchange reaction using films of sintered CsPbBr3 nanocrystals. The reaction was found to be strongly dependent upon temperature, featuring an Arrhenius relationship. Additionally, film thickness played a significant role in determining internal film structure at intermediate reaction times. Thin films (50 nm) showed only a small distribution of CsPbBrxI3-x species, while thicker films (350 nm) exhibited much broader distributions. Furthermore, internal film structure was ordered, featuring a compositional gradient within film. Transient absorption spectroscopy showed the influence of halide exchange on the excited state of the material. In thicker films, charge carriers were rapidly transferred to iodide-rich regions near the film surface within the first several picoseconds after excitation. This ultrafast vectorial charge-transfer process illustrates the potential of utilizing compositional gradients to direct charge flow in perovskite-based photovoltaics.

  17. The effects of cultivation on the organic matter of total soil and in the different soil particle size separates using radiocarbon dating

    International Nuclear Information System (INIS)

    Gazineu, M.H.P.

    1982-07-01

    The effects of cultivation on the organic matter and nutrients in the total soil and in five particle size separates were studied through chemical analyses and radiocarbon dating. Samples were taken from the A and B horizons of an uncultivated field and of fields cultivated during 5,60 and 90 years which had never received treatment with fertilizers. (M.A.) [pt

  18. Use of total organic carbon, spectral gamma ray and bioturbation as tools in the identification of source rock; Carbono organico total, gamaespectrometria e bioturbacao como ferramentas na busca de possiveis horizontes geradores de hidrocarbonetos

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Anderson S.; Pereira, Egberto [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Faculdade de Geologia. Dept. de Estratigrafia e Paleontologia

    2008-07-01

    This work presents the result obtained for the gamaespectrometric study of a borehole situated in north of Parana Basin, concerning sediments of the Ponta Grossa Formation. The Total Radioactivity data and the concentrations of Potassium (K), Uranium (U), Thorium (Th) have been compared to the Total Organic Carbon (TOC) and to the degree of bioturbation intensity. The mentioned formation is composed of basal sandstones deposited in shoreface conditions, which pass to siltstones and black shales deposited in offshore conditions. Nine sedimentary facies were identified based on sedimentological characteristics and sedimentary structures. The bioturbation intensity indicates the modification degree of the initial arrangement of sedimentary beds by the action of organisms. High TOC values in the intervals in addition to the increase of the radioactivity values indicate anoxic conditions. These conditions are ideal for the organic matter concentration and preservation, reflecting favorable intervals to the hydrocarbons (HC) generation. Thus, with the integrated use of diverse tools it was possible to confirm that the Givetian-Frasnian interval of the Ponta Grossa Formation presents the best potential of HC generation of the section analyzed. (author)

  19. Automated determination of the stable carbon isotopic composition (δ13C) of total dissolved inorganic carbon (DIC) and total nonpurgeable dissolved organic carbon (DOC) in aqueous samples: RSIL lab codes 1851 and 1852

    Science.gov (United States)

    Révész, Kinga M.; Doctor, Daniel H.

    2014-01-01

    The purposes of the Reston Stable Isotope Laboratory (RSIL) lab codes 1851 and 1852 are to determine the total carbon mass and the ratio of the stable isotopes of carbon (δ13C) for total dissolved inorganic carbon (DIC, lab code 1851) and total nonpurgeable dissolved organic carbon (DOC, lab code 1852) in aqueous samples. The analysis procedure is automated according to a method that utilizes a total carbon analyzer as a peripheral sample preparation device for analysis of carbon dioxide (CO2) gas by a continuous-flow isotope ratio mass spectrometer (CF-IRMS). The carbon analyzer produces CO2 and determines the carbon mass in parts per million (ppm) of DIC and DOC in each sample separately, and the CF-IRMS determines the carbon isotope ratio of the produced CO2. This configuration provides a fully automated analysis of total carbon mass and δ13C with no operator intervention, additional sample preparation, or other manual analysis. To determine the DIC, the carbon analyzer transfers a specified sample volume to a heated (70 °C) reaction vessel with a preprogrammed volume of 10% phosphoric acid (H3PO4), which allows the carbonate and bicarbonate species in the sample to dissociate to CO2. The CO2 from the reacted sample is subsequently purged with a flow of helium gas that sweeps the CO2 through an infrared CO2 detector and quantifies the CO2. The CO2 is then carried through a high-temperature (650 °C) scrubber reactor, a series of water traps, and ultimately to the inlet of the mass spectrometer. For the analysis of total dissolved organic carbon, the carbon analyzer performs a second step on the sample in the heated reaction vessel during which a preprogrammed volume of sodium persulfate (Na2S2O8) is added, and the hydroxyl radicals oxidize the organics to CO2. Samples containing 2 ppm to 30,000 ppm of carbon are analyzed. The precision of the carbon isotope analysis is within 0.3 per mill for DIC, and within 0.5 per mill for DOC.

  20. Alkali Halide Microstructured Optical Fiber for X-Ray Detection

    Science.gov (United States)

    DeHaven, S. L.; Wincheski, R. A.; Albin, S.

    2014-01-01

    Microstructured optical fibers containing alkali halide scintillation materials of CsI(Na), CsI(Tl), and NaI(Tl) are presented. The scintillation materials are grown inside the microstructured fibers using a modified Bridgman-Stockbarger technique. The x-ray photon counts of these fibers, with and without an aluminum film coating are compared to the output of a collimated CdTe solid state detector over an energy range from 10 to 40 keV. The photon count results show significant variations in the fiber output based on the materials. The alkali halide fiber output can exceed that of the CdTe detector, dependent upon photon counter efficiency and fiber configuration. The results and associated materials difference are discussed.

  1. Development and melt growth of novel scintillating halide crystals

    Science.gov (United States)

    Yoshikawa, Akira; Yokota, Yuui; Shoji, Yasuhiro; Kral, Robert; Kamada, Kei; Kurosawa, Shunsuke; Ohashi, Yuji; Arakawa, Mototaka; Chani, Valery I.; Kochurikhin, Vladimir V.; Yamaji, Akihiro; Andrey, Medvedev; Nikl, Martin

    2017-12-01

    Melt growth of scintillating halide crystals is reviewed. The vertical Bridgman growth technique is still considered as very popular method that enables production of relatively large and commercially attractive crystals. On the other hand, the micro-pulling-down method is preferable when fabrication of small samples, sufficient for preliminary characterization of their optical and/or scintillation performance, is required. Moreover, bulk crystal growth is also available using the micro-pulling-down furnace. The examples of growths of various halide crystals by industrially friendly melt growth techniques including Czochralski and edge-defined film-fed growth methods are also discussed. Finally, traveling molten zone growth that in some degree corresponds to horizontal zone melting is briefly overviewed.

  2. Heterofacial alkylation of alkylenediamines by higher alkyl halides

    International Nuclear Information System (INIS)

    Semenov, V.A.; Kryshko, G.M.; Sokal'skaya, L.I.; Zhukova, N.G.

    1985-01-01

    A study of the physiochemical properties of alkylenediamines substituted by lower alkyls, showed that they possess increased complex-forming ability with respect to salts of different metals as titanium, niobium, zirconium, molybdenum, and zinc. To create a simpler method of synthesis of higher tetraaklyalkylalklyenediamines, based on the use of the accessible domestic raw material, the authors investigated the reaction of alkylenediamines with various alkyl halides. It was established that the best reagents can be obtained using alkyl bromides. It is concluded that the procedure of alkylation of alkylenediamines by higher alkyl halides in the presence of water developed permits the production of terraalkylalkylenediamines in one step with good yield and with purity acceptable for use as extraction reagents

  3. Correlations between entropy and volume of melting in halide salts

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1991-09-01

    Melting parameters and transport coefficients in the melt are collated for halides of monovalent, divalent and trivalent metals. A number of systems show a deficit of entropy of melting relative to the linear relationships between entropy change and relative volume change on melting that are found to be approximately obeyed by a majority of halides. These behaviours are discussed on the basis of structural and transport data. The deviating systems are classified into three main classes, namely (i) fast-ion conductors in the high-temperature crystal phase such as AgI, (ii) strongly structured network-like systems such as ZnCl 2 , and (iii) molecular systems melting into associated molecular liquids such as SbCl 3 . (author). 35 refs, 1 fig., 3 tabs

  4. Hybrid lead halide perovskites for light energy conversion: Excited state properties and photovoltaic applications

    Science.gov (United States)

    Manser, Joseph S.

    The burgeoning class of metal halide perovskites constitutes a paradigm shift in the study and application of solution-processed semiconductors. Advancements in thin film processing and our understanding of the underlying structural, photophysical, and electronic properties of these materials over the past five years have led to development of perovskite solar cells with power conversion efficiencies that rival much more mature first and second-generation commercial technologies. It seems only a matter of time before the real-world impact of these compounds is put to the test. Like oxide perovskites, metal halide perovskites have ABX3 stoichiometry, where typically A is a monovalent cation, B a bivalent post-transition metal, and X a halide anion. Characterizing the behavior of photogenerated charges in metal halide perovskites is integral for understanding the operating principles and fundamental limitations of perovskite optoelectronics. The majority of studies outlined in this dissertation involve fundamental study of the prototypical organic-inorganic compound methylammonium lead iodide (CH3NH3PbI 3). Time-resolved pump-probe spectroscopy serves as a principle tool in these investigations. Excitation of a semiconductor can lead to formation of a number different excited state species and electronic complexes. Through analysis of excited state decay kinetics and optical nonlinearities in perovskite thin films, we identify spontaneous formation of a large fraction of free electrons and holes, whose presence is requisite for efficient photovoltaic operation. Following photogeneration of charge carriers in a semiconductor absorber, these species must travel large distances across the thickness of the material to realize large external quantum efficiencies and efficient carrier extraction. Using a powerful technique known as transient absorption microscopy, we directly image long-range carrier diffusion in a CH3NH3PbI 3 thin film. Charges are unambiguously shown to

  5. Lamp-Ballast Compatibility Index for Efficient Ceramic Metal Halide Lamp Operation

    OpenAIRE

    Sourish Chatterjee

    2013-01-01

    Development of energy efficient products and exploration of energy saving potential are major challenges for present day’s technology. Ceramic Metal Halide lamp is the latest improved version of metal halide lamp that finds its wide applications in indoor commercial lighting especially in retail shop lighting. This lamp shows better performance in terms of higher lumen per watt and colour constancy in comparison to conventional metal halide lamp. The inherent negative incremental impedance of...

  6. Halides of BET-TTF: novel hydrated molecular metals

    Energy Technology Data Exchange (ETDEWEB)

    Laukhina, E.; Ribera, E.; Vidal-Gancedo, J.; Canadell, E.; Veciana, J.; Rovira, C. [Universidad Autonoma de Barcelona, Bellaterra (Spain). Inst. de Ciencia de Materials; Khasanov, S.; Zorina, L.; Shibaeva, R. [Rossijskaya Akademiya Nauk, Chernogolovka (Russian Federation). Inst. Fiziki Tverdogo Tela; Laukhin, V. [Inst. of Problems of Chemical Physics, RAS, Chernogolovka (Russian Federation); Honold, M.; Nam, M.-S.; Singleton, J. [Clarendon Lab., Univ. of Oxford (United Kingdom)

    2000-01-07

    A hint of superconducting transition has been observed for the first time in a cation radical salt derived from bisethylenethio-tetrathiafulvalene (BET-TTF), the salt (BET-TTF){sub 2}Br.3H{sub 2}O. Here the synthesis, X-ray structure, and physical properties of two hydrated halides of BET-TTF that are isostructural and present stable metallic properties are described. (orig.)

  7. Thermodynamics of the living organisms. Allometric relationship between the total metabolic energy, chemical energy and body temperature in mammals

    Science.gov (United States)

    Atanasov, Atanas Todorov

    2017-11-01

    The study present relationship between the total metabolic energy (ETME(c), J) derived as a function of body chemical energy (Gchem, J) and absolute temperature (Tb, K) in mammals: ETME(c) =Gchem (Tb/Tn). In formula the temperature Tn =2.73K appears normalization temperature. The calculated total metabolic energy ETME(c) differs negligible from the total metabolic energy ETME(J), received as a product between the basal metabolic rate (Pm, J/s) and the lifespan (Tls, s) of mammals: ETME = Pm×Tls. The physical nature and biological mean of the normalization temperature (Tn, K) is unclear. It is made the hypothesis that the kTn energy (where k= 1.3806×10-23 J/K -Boltzmann constant) presents energy of excitation states (modes) in biomolecules and body structures that could be in equilibrium with chemical energy accumulated in body. This means that the accumulated chemical energy allows trough all body molecules and structures to propagate excitations states with kTn energy with wavelength in the rage of width of biological membranes. The accumulated in biomolecules chemical energy maintains spread of the excited states through biomolecules without loss of energy.

  8. Solvation structures of lithium halides in methanol–water mixtures

    International Nuclear Information System (INIS)

    Sarkar, Atanu; Dixit, Mayank Kumar; Tembe, B.L.

    2015-01-01

    Highlights: • Potentials of mean force for Li + -halides are calculated in methanol–water mixtures. • Stable CIP for x methanol = 1.0 becomes unstable at and below x methanol = 0.75. • The Li + ion is preferentially solvated by methanol molecules. • The halide ions are preferentially solvated by water molecules. - Abstract: The potentials of mean force (PMFs) for the ion pairs, Li + −Cl − , Li + −Br − and Li + −I − have been calculated in five methanol–water compositions. The results obtained are verified by trailing the trajectories and calculating the ion pair distance residence times. Local structures around the ions are studied using the radial distribution functions, density profiles, orientational correlation functions, running coordination numbers and excess coordination numbers. The major change in PMF is observed as the methanol mole fraction (x methanol ) is changed from 1.0 to 0.75. The stable contact ion pair occurring for x methanol = 1.0 becomes unstable at and below x methanol = 0.75. The preferential solvation data show that the halide ions are always preferentially solvated by water molecules. Although the lithium ion is preferentially solvated by methanol molecules, there is significant affinity towards water molecules as well

  9. Methyl halide emissions from greenhouse-grown mangroves

    Science.gov (United States)

    Manley, Steven L.; Wang, Nun-Yii; Walser, Maggie L.; Cicerone, Ralph J.

    2007-01-01

    Two mangrove species, Avicennia germinans and Rhizophora mangle, were greenhouse grown for nearly 1.5 years from saplings. A single individual of each species was monitored for the emission of methyl halides from aerial tissue. During the first 240 days, salinity was incrementally increased with the addition of seawater, and was maintained between 18 and 28‰ for the duration of the study. Exponential growth occurred after 180 days. Methyl halide emissions normalized to leaf area were measured throughout the study and varied dramatically. Emission rates normalized to land area (mg m-2 y-1), assuming a LAI = 5, yielded 82 and 29 for CH3Cl, 10 and 1.6 for CH3Br, and 26 and 11 for CH3I, for A. germinans and R. mangle, respectively. From these preliminary determinations, only CH3I emissions emerge as being of possible global atmospheric significance. This study emphasizes the need for field studies of methyl halide emissions from mangrove forests.

  10. Lasing in robust cesium lead halide perovskite nanowires

    Science.gov (United States)

    Eaton, Samuel W.; Lai, Minliang; Gibson, Natalie A.; Wong, Andrew B.; Dou, Letian; Ma, Jie; Wang, Lin-Wang; Leone, Stephen R.; Yang, Peidong

    2016-01-01

    The rapidly growing field of nanoscale lasers can be advanced through the discovery of new, tunable light sources. The emission wavelength tunability demonstrated in perovskite materials is an attractive property for nanoscale lasers. Whereas organic–inorganic lead halide perovskite materials are known for their instability, cesium lead halides offer a robust alternative without sacrificing emission tunability or ease of synthesis. Here, we report the low-temperature, solution-phase growth of cesium lead halide nanowires exhibiting low-threshold lasing and high stability. The as-grown nanowires are single crystalline with well-formed facets, and act as high-quality laser cavities. The nanowires display excellent stability while stored and handled under ambient conditions over the course of weeks. Upon optical excitation, Fabry–Pérot lasing occurs in CsPbBr3 nanowires with an onset of 5 μJ cm−2 with the nanowire cavity displaying a maximum quality factor of 1,009 ± 5. Lasing under constant, pulsed excitation can be maintained for over 1 h, the equivalent of 109 excitation cycles, and lasing persists upon exposure to ambient atmosphere. Wavelength tunability in the green and blue regions of the spectrum in conjunction with excellent stability makes these nanowire lasers attractive for device fabrication. PMID:26862172

  11. Rashba and Dresselhaus Couplings in Halide Perovskites: Accomplishments and Opportunities for Spintronics and Spin-Orbitronics.

    Science.gov (United States)

    Kepenekian, Mikaël; Even, Jacky

    2017-07-20

    In halide hybrid organic-inorganic perovskites (HOPs), spin-orbit coupling (SOC) presents a well-documented large influence on band structure. However, SOC may also present more exotic effects, such as Rashba and Dresselhaus couplings. In this Perspective, we start by recalling the main features of this effect and what makes HOP materials ideal candidates for the generation and tuning of spin-states. Then, we detail the main spectroscopy techniques able to characterize these effects and their application to HOPs. Finally, we discuss potential applications in spintronics and in spin-orbitronics in those nonmagnetic systems, which would complete the skill set of HOPs and perpetuate their ride on the crest of the wave of popularity started with optoelectronics and photovoltaics.

  12. Non-halide sediments from the Loule diapir salt mine: characterization and environmental significance

    Science.gov (United States)

    Ribeiro, Carlos; Terrinha, Pedro; Andrade, Alexandre; Fonseca, Bruno; Caetano, Miguel; Neres, Marta; Font, Eric; Mirão, José; Dias, Cristina; Rosado, Lúcia; Maurer, Anne-France; Manhita, Ana

    2017-04-01

    The sedimentary record of the Mesozoic Algarve Basin (south Portugal) spans from the Triassic to the Lower Cretaceous. Following the initial phase of Pangaea breakup and the related continental sedimentation during the Triassic, the sedimentation evolved through transitional (Triassic-Jurassic transition) to marine (Jurassic) environments. During the Hettangian a thick sequence of evaporites deposited in the basin. Most of the occurrences of these deposits have undetermined volumes, due to the post depositional diapiric movements. At the central Algarve, under the town of Loulé, a salt wall of up to > 1 km across, > 3 km in length and > 2 km in height has been exploited for the chemical industry (Loulé Diapir - LD). Most of the sediments that constitute LD are halides (> 99% halite), the exception being a package of non-halide sediments, constituted by carbonates (dolomite and magnesite) and sulphates (anhydrite) in various proportions with a maximum thickness of 3 meters. This package has a distinctive mesoscopic aspect of three layers of approximately the same thickness, different colours and primary sedimentary structures: black-brow-grey, from bottom to top. The sediments of this package were studied with a multidisciplinary approach aiming their mineralogical and chemical characterization, the determination of the organic matter content and origin, as well as the characterization and understanding of the chemical processes that occurred during the emplacement and compression of the LD: (i) X-ray diffraction for the determination of the mineral phases present and semi-quantification using the RIR-Reference Intensity Ratio method; (ii) micro analysis of the mineralogical samples by Scanning Electron Microscopy coupled to Energy Dispersive Spectroscopy; (iii) REE content determination by ICP-MS; (iv) determination of the carbon content by CHN Elemental analysis; (v) determination of the organic matter content by elemental analysis and their composition by

  13. Total sialic acid profile in regressing and remodelling organs during the metamorphosis of marsh frog (Pelophylax ridibundus Pallas 1771).

    Science.gov (United States)

    Kaptan, Engin; Bas, Serap Sancar; Inceli, Meliha Sengezer

    2013-03-01

    This study aimed to investigate the functional relationship of sialic acid in regressing and remodelling organs such as the tail, small intestine and liver during the metamorphosis of Pelophylax ridibundus. For this purpose, four groups were composed according to developmental periods by considering Gosner's criteria (1964). Our findings showed that the sialic acid content of the larval tail has an opposite profile to cell death process. Although the sialic acid content of the small intestine and liver did not change evidently during metamorphosis, it increased after the completion of metamorphosis. Frog tail extensively exhibited cell death process and decreased proliferative activity and underwent complete degeneration during metamorphic climax. In spite of increased apoptotic index, a decreased sialic acid level in the tail tissues during climax can be the indication of a death cell removal process. However, the intestine and the liver included both cell death and proliferative process and remodelling in their adult forms. Thus, their sialic acid profiles during metamorphosis were different from the tail's profile. These data show that sialic acid may be an indicator of the presence of some cellular events during metamorphosis and that it can have different roles in the developmental process depending on the organ's fate throughout metamorphosis. Copyright © 2012 John Wiley & Sons, Ltd.

  14. Polar-solvent-free colloidal synthesis of highly luminescent alkylammonium lead halide perovskite nanocrystals

    Science.gov (United States)

    Vybornyi, Oleh; Yakunin, Sergii; Kovalenko, Maksym V.

    2016-03-01

    A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2.A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2. Electronic supplementary information (ESI) available: Materials and methods, additional figures. See DOI: 10.1039/c5nr06890h

  15. Ice formation via deposition nucleation on mineral dust and organics: dependence of onset relative humidity on total particulate surface area

    International Nuclear Information System (INIS)

    Kanji, Zamin A; Florea, Octavian; Abbatt, Jonathan P D

    2008-01-01

    We present ice nucleation results for Arizona test dust, kaolinite, montmorillonite, silica, silica coated with a hydrophobic octyl chain, oxalic acid dihydrate, Gascoyne leonardite (a humic material), and Aldrich humic acid (sodium salt). The focus was on deposition mode nucleation below water saturation at 233 K. Particles were deposited onto a hydrophobic cold stage by atomization of a slurry/solution and exposed to a constant partial pressure of water vapor. By lowering the temperature of the stage, the relative humidity with respect to ice (RH i ) was gradually increased until ice nucleation was observed using digital photography. Different numbers of particles were deposited onto the cold stage by varying the atomization solution concentration and deposition time. For the same total particulate surface area, mineral dust particles nucleated ice at lower supersaturations than all other materials. The most hydrophobic materials, i.e. Gascoyne leonardite and octyl silica, were the least active. For our limit of detection of one ice crystal, the ice onset RH i values were dependent on the total surface area of the particulates, indicating that no unique threshold RH i for ice nucleation prevails

  16. Ice formation via deposition nucleation on mineral dust and organics: dependence of onset relative humidity on total particulate surface area

    Energy Technology Data Exchange (ETDEWEB)

    Kanji, Zamin A; Florea, Octavian; Abbatt, Jonathan P D [Department of Chemistry, University of Toronto, 80 St George Street, Toronto, ON, M5S 3H6 (Canada)], E-mail: zkanji@chem.utoronto.ca

    2008-04-15

    We present ice nucleation results for Arizona test dust, kaolinite, montmorillonite, silica, silica coated with a hydrophobic octyl chain, oxalic acid dihydrate, Gascoyne leonardite (a humic material), and Aldrich humic acid (sodium salt). The focus was on deposition mode nucleation below water saturation at 233 K. Particles were deposited onto a hydrophobic cold stage by atomization of a slurry/solution and exposed to a constant partial pressure of water vapor. By lowering the temperature of the stage, the relative humidity with respect to ice (RH{sub i}) was gradually increased until ice nucleation was observed using digital photography. Different numbers of particles were deposited onto the cold stage by varying the atomization solution concentration and deposition time. For the same total particulate surface area, mineral dust particles nucleated ice at lower supersaturations than all other materials. The most hydrophobic materials, i.e. Gascoyne leonardite and octyl silica, were the least active. For our limit of detection of one ice crystal, the ice onset RH{sub i} values were dependent on the total surface area of the particulates, indicating that no unique threshold RH{sub i} for ice nucleation prevails.

  17. A new waste minimization method for the determination of total nonhalogenated volatile organic compounds in TRU wastes

    International Nuclear Information System (INIS)

    Sandoval, W.; Quintana, B.D.; Ortega, L.

    1997-01-01

    As part of the technical support CST-12 provides for a wide variety of defense and nondefense programs within Los Alamos National Laboratory (LANL) and the Department of Energy (DOE) complex, new waste minimization technique is under development for radiological volatile organic analysis (Hot VOA). Currently all HOT VOA must be run in a glovebox. Several types of sample contain TRU radiological waste in the form of particulates. By prefiltering the samples through a 1.2 micron syringe and counting the radioactivity, it has been found that many of the samples can be analyzed outside a glovebox. In the present investigation, the types of Hot VOA samples that can take advantage of this new technique, the volume and types of waste reduced and the experimental parameters will be discussed. Overall, the radioactive waste generated is minimized

  18. Bringing the science of proteins into the realm of organic chemistry: total chemical synthesis of SEP (synthetic erythropoiesis protein).

    Science.gov (United States)

    Kent, Stephen B H

    2013-11-11

    Erythropoietin, commonly known as EPO, is a glycoprotein hormone that stimulates the production of red blood cells. Recombinant EPO has been described as "arguably the most successful drug spawned by the revolution in recombinant DNA technology". Recently, the EPO glycoprotein molecule has re-emerged as a major target of synthetic organic chemistry. In this article I will give an account of an important body of earlier work on the chemical synthesis of a designed EPO analogue that had full biological activity and improved pharmacokinetic properties. The design and synthesis of this "synthetic erythropoiesis protein" was ahead of its time, but has gained new relevance in recent months. Here I will document the story of one of the major accomplishments of synthetic chemistry in a more complete way than is possible in the primary literature, and put the work in its contemporaneous context. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. A chronology of the PY608E–PC sediment core (Lake Pumoyum Co, southern Tibetan Plateau) based on radiocarbon dating of total organic carbon

    International Nuclear Information System (INIS)

    Watanabe, Takahiro; Nakamura, Toshio; Matsunaka, Tetsuya; Nara, Fumiko Watanabe; Zhu Liping; Wang Junbo; Kakegawa, Takeshi; Nishimura, Mitsugu

    2013-01-01

    Paleoclimatic records from the Tibetan Plateau provide important clues for understanding the Asian monsoon and Asian climate systems. To reconstruct climatic and environmental changes in the southern Tibetan Plateau, a 3.77-m-long sediment core (PY608E–PC) was taken from the southeastern part of Lake Pumoyum Co in August 2006. Because terrestrial plant residues are extremely rare in this core, we performed radiocarbon dating on the total organic carbon fraction. We also estimated the old carbon effect and radiocarbon reservoir age of the total organic carbon fraction. Using these estimates, we propose a new radiocarbon chronology for past climatic changes from ca. 12,500 to 700 cal BP. The linear sedimentation rate of the core was founded to be constant at 32.0 cm/kyr, indicating stable sedimentation conditions in Lake Pumoyum Co from the period of the Younger Dryas to the Holocene.

  20. A chronology of the PY608E-PC sediment core (Lake Pumoyum Co, southern Tibetan Plateau) based on radiocarbon dating of total organic carbon

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Takahiro, E-mail: twatanabe@geo.kankyo.tohoku.ac.jp [Graduate School of Environmental Studies, Tohoku University, 6-6-20 Aramaki Aza Aoba, Aoba-ku, Sendai 980-8579 (Japan); Graduate School of Science, Tohoku University, 6-3 Aramaki Aza Aoba, Aoba-ku, Sendai 980-8578 (Japan); Nakamura, Toshio [Center for Chronological Research, Nagoya University, Furo-cho, Chikusa, Nagoya 464-8601 (Japan); Matsunaka, Tetsuya [School of Marine Science and Technology, Tokai University, 3-20-1 Orido, Shimizu, Shizuoka 424-0902 (Japan); Nara, Fumiko Watanabe [Graduate School of Science, Tohoku University, 6-3 Aramaki Aza Aoba, Aoba-ku, Sendai 980-8578 (Japan); Zhu Liping; Wang Junbo [Institute of Tibetan Plateau Research, Chinese Academy of Science, No. 18 Shuangqing Road, Haidian District, Beijing 100085 (China); Kakegawa, Takeshi [Graduate School of Science, Tohoku University, 6-3 Aramaki Aza Aoba, Aoba-ku, Sendai 980-8578 (Japan); Nishimura, Mitsugu [School of Marine Science and Technology, Tokai University, 3-20-1 Orido, Shimizu, Shizuoka 424-0902 (Japan)

    2013-01-15

    Paleoclimatic records from the Tibetan Plateau provide important clues for understanding the Asian monsoon and Asian climate systems. To reconstruct climatic and environmental changes in the southern Tibetan Plateau, a 3.77-m-long sediment core (PY608E-PC) was taken from the southeastern part of Lake Pumoyum Co in August 2006. Because terrestrial plant residues are extremely rare in this core, we performed radiocarbon dating on the total organic carbon fraction. We also estimated the old carbon effect and radiocarbon reservoir age of the total organic carbon fraction. Using these estimates, we propose a new radiocarbon chronology for past climatic changes from ca. 12,500 to 700 cal BP. The linear sedimentation rate of the core was founded to be constant at 32.0 cm/kyr, indicating stable sedimentation conditions in Lake Pumoyum Co from the period of the Younger Dryas to the Holocene.

  1. Effect of total solids content on biohydrogen production and lactic acid accumulation during dark fermentation of organic waste biomass.

    Science.gov (United States)

    Ghimire, Anish; Trably, Eric; Frunzo, Luigi; Pirozzi, Francesco; Lens, Piet N L; Esposito, Giovanni; Cazier, Elisabeth A; Escudié, Renaud

    2018-01-01

    Production of biohydrogen and related metabolic by-products was investigated in Solid State Dark Fermentation (SSDF) of food waste (FW) and wheat straw (WS). The effect of the total solids (TS) content and H 2 partial pressure (pp H2 ), two of the main operating factors of SSDF, were investigated. Batch tests with FW at 10, 15, 20, 25 and 30% TS showed considerable effects of the TS on metabolites distribution. H 2 production was strongly inhibited for TS contents higher than 15% with a concomitant accumulation of lactic acid and a decrease in substrate conversion. Varying the pp H2 had no significant effect on the conversion products and overall degradation of FW and WS, suggesting that pp H2 was not the main limiting factor in SSDF. This study showed that the conversion of complex substrates by SSDF depends on the substrate type and is limited by the TS content. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Organic, inorganic and total mercury determination in fish by chemical vapor generation with collection on a gold gauze and electrothermal atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Duarte, Fabio Andrei; Bizzi, Cezar Augusto; Goldschmidt Antes, Fabiane; Dressler, Valderi Luiz; Flores, Erico Marlon de Moraes

    2009-01-01

    A method for organic, inorganic and total mercury determination in fish tissue has been developed using chemical vapor generation and collection of mercury vapor on a gold gauze inside a graphite tube and further atomization by electrothermal atomic absorption spectrometry. After drying and cryogenic grinding, potassium bromide and hydrochloric acid solution (1 mol L - 1 KBr in 6 mol L - 1 HCl) was added to the samples. After centrifugation, total mercury was determined in the supernatant. Organomercury compounds were selectively extracted from KBr solution using chloroform and the resultant solution was back extracted with 1% m/v L-cysteine. This solution was used for organic Hg determination. Inorganic Hg remaining in KBr solution was directly determined by chemical vapor generation electrothermal atomic absorption spectrometry. Mercury vapor generation from extracts was performed using 1 mol L - 1 HCl and 2.5% m/v NaBH 4 solutions and a batch chemical vapor generation system. Mercury vapor was collected on the gold gauze heated resistively at 80 deg. C and the atomization temperature was set at 650 deg. C. The selectivity of extraction was evaluated using liquid chromatography coupled to chemical vapor generation and determination by inductively coupled plasma mass spectrometry. The proposed method was applied for mercury analysis in shark, croaker and tuna fish tissues. Certified reference materials were used to check accuracy and the agreement was better than 95%. The characteristic mass was 60 pg and method limits of detection were 5, 1 and 1 ng g - 1 for organic, inorganic and total mercury, respectively. With the proposed method it was possible to analyze up to 2, 2 and 6 samples per hour for organic, inorganic and total Hg determination, respectively.

  3. Storage and stability of biochar-derived carbon and total organic carbon in relation to minerals in an acid forest soil of the Spanish Atlantic area.

    Science.gov (United States)

    Fernández-Ugalde, Oihane; Gartzia-Bengoetxea, Nahia; Arostegi, Javier; Moragues, Lur; Arias-González, Ander

    2017-06-01

    Biochar can largely contribute to enhance organic carbon (OC) stocks in soil and improve soil quality in forest and agricultural lands. Its contribution depends on its recalcitrance, but also on its interactions with minerals and other organic compounds in soil. Thus, it is important to study the link between minerals, natural organic matter and biochar in soil. In this study, we investigated the incorporation of biochar-derived carbon (biochar-C) into various particle-size fractions with contrasting mineralogy and the effect of biochar on the storage of total OC in the particle-size fractions in an acid loamy soil under Pinus radiata (C3 type) in the Spanish Atlantic area. We compared plots amended with biochar produced from Miscanthus sp. (C4 type) with control plots (not amended). We separated sand-, silt-, and clay-size fractions in samples collected from 0 to 20-cm depth. In each fraction, we analyzed clay minerals, metallic oxides and oxy-hydroxides, total OC and biochar-C. The results showed that 51% of the biochar-C was in fractions fractions (0.2-2μm, 0.05-0.2μm, fractions, as it occurred with the vermiculitic phases and metallic oxides and oxy-hydroxides. Biochar also affected to the distribution of total OC among particle-size fractions. Total OC concentration was greater in fractions 2-20μm, 0.2-2μm, 0.05-0.2μm in biochar-amended plots than in control plots. This may be explained by the adsorption of dissolved OC from fraction organic matter already occurred in the first year. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. A π-Conjugation Extended Viologen as a Two-Electron Storage Anolyte for Total Organic Aqueous Redox Flow Batteries.

    Science.gov (United States)

    Luo, Jian; Hu, Bo; Debruler, Camden; Liu, Tianbiao Leo

    2018-01-02

    Extending the conjugation of viologen by a planar thiazolo[5,4-d]thiazole (TTz) framework and functionalizing the pyridinium with hydrophilic ammonium groups yielded a highly water-soluble π-conjugation extended viologen, 4,4'-(thiazolo[5,4-d]thiazole-2,5-diyl)bis(1-(3-(trimethylammonio)propyl)pyridin-1-ium) tetrachloride, [(NPr) 2 TTz]Cl 4  , as a novel two-electron storage anolyte for aqueous organic redox flow battery (AORFB) applications. Its physical and electrochemical properties were systematically investigated. Paired with 4-trimethylammonium-TEMPO (N Me -TEMPO) as catholyte, [(NPr) 2 TTz]Cl 4 enables a 1.44 V AORFB with a theoretical energy density of 53.7 Wh L -1 . A demonstrated [(NPr) 2 TTz]Cl 4 /N Me -TEMPO AORFB delivered an energy efficiency of 70 % and 99.97 % capacity retention per cycle. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Patient with a total artificial heart maintained on outpatient dialysis while listed for combined organ transplant, a single center experience.

    Science.gov (United States)

    Hanna, Ramy M; Hasnain, Huma; Kamgar, Mohammad; Hanna, Mina; Minasian, Raffi; Wilson, James

    2017-10-01

    Advanced mechanical circulatory support is increasingly being used with more sophisticated devices that can deliver pulsatile rather than continuous flow. These devices are more portable as well, allowing patients to await cardiac transplantation in an outpatient setting. It is known that patients with renal failure are at increased risk for developing worsening acute kidney injury during implantation of a ventricular assist device (VAD) or more advanced modalities like a total artificial heart (TAH). Dealing with patients who have an implanted TAH who develop renal failure has been a challenge with the majority of such patients having to await a combined cardiac and renal transplant prior to transition to outpatient care. Protocols do exist for VAD implanted patients to be transitioned to outpatient dialysis care, but there are no reported cases of TAH patients with end stage renal disease (ESRD) being successfully transitioned to outpatient dialysis care. In this report, we identify a patient with a TAH and ESRD transitioned successfully to outpatient hemodialysis and maintained for more than 2 years, though he did not survive to transplant. It is hoped that this report will raise awareness of this possibility, and assist in the development of protocols for similar patients to be successfully transitioned to outpatient dialysis care. © 2017 International Society for Hemodialysis.

  6. Using 137Cs to quantify the redistribution of soil organic carbon and total N affected by intensive soil erosion in the headwaters of the Yangtze River, China

    International Nuclear Information System (INIS)

    Wei Guoxiao; Wang Yibo; Wang Yanlin

    2008-01-01

    Characteristics of soil organic carbon (SOC) and total nitrogen (total N) are important for determining the overall quality of soils. Studies on spatial and temporal variation in SOC and total N are of great importance because of global environmental concerns. Soil erosion is one of the major processes affecting the redistribution of SOC and total N in the test fields. To characterize the distribution and dynamics of SOC and N in the intensively eroded soil of the headwaters of the Yangtze River, China, we measured profiles of soil organic C, total N stocks, and 137 Cs in a control plot and a treatment plot. The amounts of SOC, 137 Cs of sampling soil profiles increased in the following order, lower>middle>upper portions on the control plot, and the amounts of total N of sampling soil profile increase in the following order: upper>middle>lower on the control plot. Intensive soil erosion resulted in a significant decrease of SOC amounts by 34.9%, 28.3% and 52.6% for 0-30 cm soil layer at upper, middle and lower portions and 137 Cs inventory decreased by 68%, 11% and 85% at upper, middle and lower portions, respectively. On the treatment plot total N decreased by 50.2% and 14.6% at the upper and middle portions and increased by 48.9% at the lower portion. Coefficients of variation (CVs) of SOC decreased by 31%, 37% and 30% in the upper, middle and lower slope portions, respectively. Similar to the variational trend of SOC, CVs of 137 Cs decreased by 19.2%, 0.5% and 36.5%; and total N decreased by 45.7%, 65.1% and 19% in the upper, middle and lower slope portions, respectively. The results showed that 137 Cs, SOC and total N moved on the sloping land almost in the same physical mechanism during the soil erosion procedure, indicating that fallout of 137 Cs could be used directly for quantifying dynamic SOC and total N redistribution as the soil was affected by intensive soil erosion

  7. Using (137)Cs to quantify the redistribution of soil organic carbon and total N affected by intensive soil erosion in the headwaters of the Yangtze River, China.

    Science.gov (United States)

    Guoxiao, Wei; Yibo, Wang; Yan Lin, Wang

    2008-12-01

    Characteristics of soil organic carbon (SOC) and total nitrogen (total N) are important for determining the overall quality of soils. Studies on spatial and temporal variation in SOC and total N are of great importance because of global environmental concerns. Soil erosion is one of the major processes affecting the redistribution of SOC and total N in the test fields. To characterize the distribution and dynamics of SOC and N in the intensively eroded soil of the headwaters of the Yangtze River, China, we measured profiles of soil organic C, total N stocks, and (137)Cs in a control plot and a treatment plot. The amounts of SOC, (137)Cs of sampling soil profiles increased in the following order, lower>middle>upper portions on the control plot, and the amounts of total N of sampling soil profile increase in the following order: upper>middle>lower on the control plot. Intensive soil erosion resulted in a significant decrease of SOC amounts by 34.9%, 28.3% and 52.6% for 0-30cm soil layer at upper, middle and lower portions and (137)Cs inventory decreased by 68%, 11% and 85% at upper, middle and lower portions, respectively. On the treatment plot total N decreased by 50.2% and 14.6% at the upper and middle portions and increased by 48.9% at the lower portion. Coefficients of variation (CVs) of SOC decreased by 31%, 37% and 30% in the upper, middle and lower slope portions, respectively. Similar to the variational trend of SOC, CVs of (137)Cs decreased by 19.2%, 0.5% and 36.5%; and total N decreased by 45.7%, 65.1% and 19% in the upper, middle and lower slope portions, respectively. The results showed that (137)Cs, SOC and total N moved on the sloping land almost in the same physical mechanism during the soil erosion procedure, indicating that fallout of (137)Cs could be used directly for quantifying dynamic SOC and total N redistribution as the soil was affected by intensive soil erosion.

  8. Artificial neural network modelling for organic and total nitrogen removal of aerobic granulation under steady-state condition.

    Science.gov (United States)

    Gong, H; Pishgar, R; Tay, J H

    2018-04-27

    Aerobic granulation is a recent technology with high level of complexity and sensitivity to environmental and operational conditions. Artificial neural networks (ANNs), computational tools capable of describing complex non-linear systems, are the best fit to simulate aerobic granular bioreactors. In this study, two feedforward backpropagation ANN models were developed to predict chemical oxygen demand (Model I) and total nitrogen removal efficiencies (Model II) of aerobic granulation technology under steady-state condition. Fundamentals of ANN models and the steps to create them were briefly reviewed. The models were respectively fed with 205 and 136 data points collected from laboratory-, pilot-, and full-scale studies on aerobic granulation technology reported in the literature. Initially, 60%, 20%, and 20%, and 80%, 10%, and 10% of the points in the corresponding datasets were randomly chosen and used for training, testing, and validation of Model I, and Model II, respectively. Overall coefficient of determination (R 2 ) value and mean squared error (MSE) of the two models were initially 0.49 and 15.5, and 0.37 and 408, respectively. To improve the model performance, two data division methods were used. While one method is generic and potentially applicable to other fields, the other can only be applied to modelling the performance of aerobic granular reactors. R 2 value and MSE were improved to 0.90 and 2.54, and 0.81 and 121.56, respectively, after applying the new data division methods. The results demonstrated that ANN-based models were capable simulation approach to predict a complicated process like aerobic granulation.

  9. 10 CFR 431.322 - Definitions concerning metal halide lamp ballasts and fixtures.

    Science.gov (United States)

    2010-01-01

    ... high intensity discharge fixture, the efficiency of a lamp and ballast combination, expressed as a... lamps. Metal halide lamp means a high intensity discharge lamp in which the major portion of the light... 10 Energy 3 2010-01-01 2010-01-01 false Definitions concerning metal halide lamp ballasts and...

  10. Broadly tunable metal halide perovskites for solid-state light-emission applications

    NARCIS (Netherlands)

    Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

    2017-01-01

    The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as

  11. Thermal battery. [solid metal halide electrolytes with enhanced electrical conductance after a phase transition

    Science.gov (United States)

    Carlsten, R.W.; Nissen, D.A.

    1973-03-06

    The patent describes an improved thermal battery whose novel design eliminates various disadvantages of previous such devices. Its major features include a halide cathode, a solid metal halide electrolyte which has a substantially greater electrical conductance after a phase transition at some temperature, and a means for heating its electrochemical cells to activation temperature.

  12. In vitro total phenolics, flavonoids contents and antioxidant activity of essential oil, various organic extracts from the leaves of tropical medicinal plant Tetrastigma from Sabah.

    Science.gov (United States)

    Hossain, M Amzad; Shah, Muhammad Dawood; Gnanaraj, Charles; Iqbal, Muhammad

    2011-09-01

    To detect the in vitro total phenolics, flavonoids contents and antioxidant activity of essential oil, various organic extracts from the leaves of tropical medicinal plant Tetrastigma from Sabah. The dry powder leaves of Tetrastigma were extracted with different organic solvent such as hexane, ethyl acetate, chloroform, butanol and aqueous methanol. The total phenolic and total flavonoids contents of the essential oil and various organic extracts such as hexane, ethyl acetate, chloroform, butanol and aqueous ethanol were determined by Folin - Ciocalteu method and the assayed antioxidant activity was determined in vitro models such as antioxidant capacity by radical scavenging activity using α, α-diphenyl- β-picrylhydrazyl (DPPH) method. The total phenolic contents of the essential oil and different extracts as gallic acid equivalents were found to be highest in methanol extract (386.22 mg/g) followed by ethyl acetate (190.89 mg/g), chloroform (175.89 mg/g), hexane (173.44 mg/g), and butanol extract (131.72 mg/g) and the phenolic contents not detected in essential oil. The antioxidant capacity of the essential oil and different extracts as ascorbic acid standard was in the order of methanol extract > ethyl acetate extract >chloroform> butanol > hexane extract also the antioxidant activity was not detected in essential oil. The findings show that the extent of antioxidant activity of the essential oil and all extracts are in accordance with the amount of phenolics present in that extract. Leaves of Tetrastigma being rich in phenolics may provide a good source of antioxidant. Copyright © 2011 Hainan Medical College. Published by Elsevier B.V. All rights reserved.

  13. Femtosecond time-resolved photodissociation dynamics of methyl halide molecules on ultrathin gold films

    Directory of Open Access Journals (Sweden)

    Mihai E. Vaida

    2011-09-01

    Full Text Available The photodissociation of small organic molecules, namely methyl iodide, methyl bromide, and methyl chloride, adsorbed on a metal surface was investigated in real time by means of femtosecond-laser pump–probe mass spectrometry. A weakly interacting gold surface was employed as substrate because the intact adsorption of the methyl halide molecules was desired prior to photoexcitation. The gold surface was prepared as an ultrathin film on Mo(100. The molecular adsorption behavior was characterized by coverage dependent temperature programmed desorption spectroscopy. Submonolayer preparations were irradiated with UV light of 266 nm wavelength and the subsequently emerging methyl fragments were probed by photoionization and mass spectrometric detection. A strong dependence of the excitation mechanism and the light-induced dynamics on the type of molecule was observed. Possible photoexcitation mechanisms included direct photoexcitation to the dissociative A-band of the methyl halide molecules as well as the attachment of surface-emitted electrons with transient negative ion formation and subsequent molecular fragmentation. Both reaction pathways were energetically possible in the case of methyl iodide, yet, no methyl fragments were observed. As a likely explanation, the rapid quenching of the excited states prior to fragmentation is proposed. This quenching mechanism could be prevented by modification of the gold surface through pre-adsorption of iodine atoms. In contrast, the A-band of methyl bromide was not energetically directly accessible through 266 nm excitation. Nevertheless, the one-photon-induced dissociation was observed in the case of methyl bromide. This was interpreted as being due to a considerable energetic down-shift of the electronic A-band states of methyl bromide by about 1.5 eV through interaction with the gold substrate. Finally, for methyl chloride no photofragmentation could be detected at all.

  14. Highly Efficient Light-Emitting Diodes of Colloidal Metal-Halide Perovskite Nanocrystals beyond Quantum Size.

    Science.gov (United States)

    Kim, Young-Hoon; Wolf, Christoph; Kim, Young-Tae; Cho, Himchan; Kwon, Woosung; Do, Sungan; Sadhanala, Aditya; Park, Chan Gyung; Rhee, Shi-Woo; Im, Sang Hyuk; Friend, Richard H; Lee, Tae-Woo

    2017-07-25

    Colloidal metal-halide perovskite quantum dots (QDs) with a dimension less than the exciton Bohr diameter D B (quantum size regime) emerged as promising light emitters due to their spectrally narrow light, facile color tuning, and high photoluminescence quantum efficiency (PLQE). However, their size-sensitive emission wavelength and color purity and low electroluminescence efficiency are still challenging aspects. Here, we demonstrate highly efficient light-emitting diodes (LEDs) based on the colloidal perovskite nanocrystals (NCs) in a dimension > D B (regime beyond quantum size) by using a multifunctional buffer hole injection layer (Buf-HIL). The perovskite NCs with a dimension greater than D B show a size-irrespective high color purity and PLQE by managing the recombination of excitons occurring at surface traps and inside the NCs. The Buf-HIL composed of poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT:PSS) and perfluorinated ionomer induces uniform perovskite particle films with complete film coverage and prevents exciton quenching at the PEDOT:PSS/perovskite particle film interface. With these strategies, we achieved a very high PLQE (∼60.5%) in compact perovskite particle films without any complex post-treatments and multilayers and a high current efficiency of 15.5 cd/A in the LEDs of colloidal perovskite NCs, even in a simplified structure, which is the highest efficiency to date in green LEDs that use colloidal organic-inorganic metal-halide perovskite nanoparticles including perovskite QDs and NCs. These results can help to guide development of various light-emitting optoelectronic applications based on perovskite NCs.

  15. Elastic softness of hybrid lead halide perovskites

    KAUST Repository

    Ferreira, A. C.

    2018-01-26

    Much recent attention has been devoted towards unravelling the microscopic optoelectronic properties of hybrid organic-inorganic perovskites (HOP). Here we investigate by coherent inelastic neutron scattering spectroscopy and Brillouin light scattering, low frequency acoustic phonons in four different hybrid perovskite single crystals: MAPbBr3, FAPbBr3, MAPbI3 and α-FAPbI3 (MA: methylammonium, FA: formamidinium). We report a complete set of elastic constants caracterized by a very soft shear modulus C44. Further, a tendency towards an incipient ferroelastic transition is observed in FAPbBr3. We observe a systematic lower sound group velocity in the technologically important iodide-based compounds compared to the bromide-based ones. The findings suggest that low thermal conductivity and hot phonon bottleneck phenomena are expected to be enhanced by low elastic stiffness, particularly in the case of the ultrasoft α-FAPbI3.

  16. Metal-halide lamp design: atomic and molecular data needed

    International Nuclear Information System (INIS)

    Lapatovich, Walter P

    2009-01-01

    Metal-halide lamps are a subset of high intensity discharge (HID) lamps so named because of their high radiance. These lamps are low temperature (∼0.5 eV), weakly ionized plasmas sustained in refractory but light transmissive envelopes by the passage of electric current through atomic and molecular vapors. For commercial applications, the conversion of electric power to light must occur with good efficiency and with sufficient spectral content throughout the visible (380-780 nm) to permit the light so generated to render colors comparable to natural sunlight. This is achieved by adding multiple metals to a basic mercury discharge. Because the vapor pressure of most metals is very much lower than mercury itself, metal-halide salts of the desired metals, having higher vapor pressures, are used to introduce the material into the basic discharge. The metal compounds are usually polyatomic iodides, which vaporize and subsequently dissociate as they diffuse into the bulk plasma. Metals with multiple visible transitions are necessary to achieve high photometric efficiency (efficacy) and good color. Compounds of Sc, Dy, Ho, Tm, Ce, Pr, Yb and Nd are commonly used. The electrons, atoms and radicals are in local thermodynamic equilibrium (LTE), but not with the radiation field. Strong thermal (10 6 K m -1 ) and density gradients are sustained in the discharge. Atomic radiation produced in the high-temperature core transits through colder gas regions where it interacts with cold atoms and un-dissociated molecules before exiting the lamp. Power balance and spectral output of the lamp are directly affected by the strength of atomic transitions. Attempts to simulate the radiative output of functional metal-halide lamps have been successful only in very simple cases. More data (e.g. the atomic transition probabilities of Ce i) are necessary to improve lamp performance, to select appropriate radiators and in scaling the lamp geometry to various wattages for specific applications.

  17. Calcium phosphate cements with strontium halides as radiopacifiers.

    Science.gov (United States)

    López, Alejandro; Montazerolghaem, Maryam; Engqvist, Håkan; Ott, Marjam Karlsson; Persson, Cecilia

    2014-02-01

    High radiopacity is required to monitor the delivery and positioning of injectable implants. Inorganic nonsoluble radiopacifiers are typically used in nondegradable bone cements; however, their usefulness in resorbable cements is limited due to their low solubility. Strontium halides, except strontium fluoride, are ionic water-soluble compounds that possess potential as radiopacifiers. In this study, we compare the radiopacity, mechanical properties, composition, and cytotoxicity of radiopaque brushite cements prepared with strontium fluoride (SrF2 ), strontium chloride (SrCl2 ·6H2 O), strontium bromide (SrBr2 ), or strontium iodide (SrI2 ). Brushite cements containing 10 wt % SrCl2 ·6H2 O, SrBr2 , or SrI2 exhibited equal to or higher radiopacity than commercial radiopaque cements. Furthermore, the brushite crystal lattice in cements that contained the ionic radiopacifiers was larger than in unmodified cements and in cements that contained SrF2 , indicating strontium substitution. Despite the fact that the strontium halides increased the solubility of the cements and affected their mechanical properties, calcium phosphate cements containing SrCl2 ·6H2 O, SrBr2 , and SrI2 showed no significant differences in Saos-2 cell viability and proliferation with respect to the control. Strontium halides: SrCl2 ·6H2 O, SrBr2 , and SrI2 may be potential candidates as radiopacifiers in resorbable biomaterials although their in vivo biocompatibility, when incorporated into injectable implants, is yet to be assessed. Copyright © 2013 Wiley Periodicals, Inc.

  18. Contribution of aerobic anoxygenic phototrophic bacteria to total organic carbon pool in aquatic system of subtropical karst catchments, Southwest China: evidence from hydrochemical and microbiological study.

    Science.gov (United States)

    Li, Qiang; Song, Ang; Peng, Wenjie; Jin, Zhenjiang; Müller, Werner E G; Wang, Xiaohong

    2017-06-01

    Aerobic anoxygenic phototrophic bacteria may play a particular role in carbon cycling of aquatic systems. However, little is known about the interaction between aerobic anoxygenic phototrophic bacteria and hydrochemistry in groundwater-surface water exchange systems of subtropical karst catchments. We carried out a detailed study on the abundance of aerobic anoxygenic phototrophic bacteria and bacterioplankton, hydrochemistry and taxonomy of bacterioplankton in the Maocun watershed, Southwest China, an area with karst geological background. Our results revealed that bacteria are the important contributors to total organic carbon source/sequestration in the groundwater-surface water of this area. The aerobic anoxygenic phototrophic bacteria, including β-Proteobacteria, also appear in the studied water system. In addition to that, the genus Polynucleobacter of the phototropic β-Proteobacteria shows a close link with those sampling sites by presenting bacterial origin organic carbon on CCA biplot and is found to be positively correlated with total nitrogen, dissolved oxygen and pH (r = 0.860, 0.747 and 0.813, respectively) in the Maocun watershed. The results suggest that Polynucleobacter might be involved in the production of organic carbon and might act as the negative feedback on global warming. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  19. Hot working alkali halides for laser window applications

    International Nuclear Information System (INIS)

    Koepke, B.G.; Anderson, R.H.; Stokes, R.J.

    1975-01-01

    The techniques used to hot work alkali halide crystals into laser window blanks are reviewed. From the point of view of high power laser window applications one of the materials with a high figure of merit is KCl. Thus the materials examined are KCl and alloys of KCl-KBr containing 5 mole percent KBr. The fabrication techniques include conventional and constrained press forging, isostatic press forging and hot rolling. Optical properties are paramount to the ultimate usefulness of these materials. Results on the optical properties of the hot worked material are included together with mechanical properties and microstructural data

  20. Effect of chromone-substituted benzothiazolium halides on photosynthetic processes

    International Nuclear Information System (INIS)

    Kralova, K.; Sersen, F.; Gasparova, R.; Lacova, M.

    1998-01-01

    The effects of 3-R 2 -2[2-(6-R 1 -chromone-3-yl)ethenyl]benzothiazolium halides (CBH) on photosynthetic electron transport in spinach chloroplasts and in the legal suspension of Chlorella vulgaris were investigated. Using EPR spectroscopy it was confirmed that these compounds containing in their molecules two heterocyclic skeletons, namely benzothiazole and chromone, interact with the intermediate D + , corresponding to the tyrosine radical Tyr D situated in D 2 protein on the donor side of photosystem 2. Consequently, higher concentrations of CBH inhibited oxygen evolution rate in Chlorella vulgaris and the inhibitory effectiveness depended on the lipophilicity of the of the compound. (authors)

  1. Genesis, challenges and opportunities for colloidal lead halide perovskite nanocrystals

    Science.gov (United States)

    Akkerman, Quinten A.; Rainò, Gabriele; Kovalenko, Maksym V.; Manna, Liberato

    2018-05-01

    Lead halide perovskites (LHPs) in the form of nanometre-sized colloidal crystals, or nanocrystals (NCs), have attracted the attention of diverse materials scientists due to their unique optical versatility, high photoluminescence quantum yields and facile synthesis. LHP NCs have a `soft' and predominantly ionic lattice, and their optical and electronic properties are highly tolerant to structural defects and surface states. Therefore, they cannot be approached with the same experimental mindset and theoretical framework as conventional semiconductor NCs. In this Review, we discuss LHP NCs historical and current research pursuits, challenges in applications, and the related present and future mitigation strategies explored.

  2. Status quo of ceramic material for metal halide discharge lamps

    International Nuclear Information System (INIS)

    Kappen, Theo G M M

    2005-01-01

    Polycrystalline alumina is an excellent ceramic material for use as the envelope for metal halide discharge lamps. Although this material was introduced in the mid-1960s, and is thus already known for several decades, recent years have seen considerable effort aimed at further development of these ceramic envelope materials. Developments are not only in the field of ceramic shaping technologies, but are also concentrated on the material properties of the ceramic material itself. Optical, mechanical as well as the chemical properties of the ceramic envelope are strongly controlled by the shape as well as the microstructure of the ceramics used

  3. Evaluation of field test equipment for halide and DOP testing

    International Nuclear Information System (INIS)

    Schreiber, K.L.; Kovach, J.L.

    1975-01-01

    The Nucon Testing Services Department, field testing at power reactor sites, has performed tests using R-11, R-12, and R-112 in conjunction with gas chromatographs and direct reading halide detectors. The field operational experience with these detector systems, thus sensitivity, precision, and manner of field calibration, are presented. Laboratory experiments regarding 3 H-tagged methyl iodide for in place leak testing of adsorber systems indicate a low hazard, high reliability process for leak testing in facilities where atmospheric cross contamination occurs. (U.S.)

  4. Synthesis of halide- and solvent free metal borohydrides

    DEFF Research Database (Denmark)

    Grinderslev, Jakob; Møller, Kasper Trans; Richter, Bo

    have challenges due to their high desorption kinetics and limited reversibility at moderate conditions.[2],[3],[4] In this work, we present a new approach to synthesize halide- and solvent free metal borohydrides starting from the respective metal hydride. The synthetic strategy ensures that no metal...... to the metal. Hence, the powdered M(BH4)3∙DMS is heated to 140 °C for 4 hours to obtain pure M(BH4)3. The rare-earth metal borohydrides have been investigated by infrared spectroscopy and thermal analysis (TGA-DSC-MS). Furthermore, the structural trends are investigated by synchrotron radiation powder X...

  5. Importance of Dissolved Neutral Hg-Sulfides, Energy Rich Organic Matter and total Hg Concentrations for Methyl Mercury Production in Sediments

    Science.gov (United States)

    Drott, A.; Skyllberg, U.

    2007-12-01

    Methyl mercury (MeHg) is the mercury form that biomagnifies to the greatest extent in aquatic food webs. Therefore information about factors determining MeHg concentrations is critical for accurate risk assessment of contaminated environments. The concentration of MeHg in wetlands and sediments is the net result of: 1) methylation rates, 2) demethylation rates, and 3) input/output processes. In this study, the main controls on Hg methylation rates and total concentrations of MeHg, were investigated at eight sites in Sweden with sediments that had been subjected to local Hg contamination either as Hg(0), or as phenyl-Hg. Sediments were selected to represent a gradient in total Hg concentration, temperature climate, salinity, primary productivity, and organic C content and quality. Most sediments were high in organic matter content due to wood fibre efflux from pulp and paper industry. The pore water was analysed for total Hg, MeHg, DOC, H2S(aq), pH, DOC, Cl and Br. The chemical speciation of Hg(II) and MeHg in pore water was calculated using equilibrium models. Potential methylation and demethylation rates in sediments were determined in incubation experiments at 23° C under N2(g) for 48 h, after addition of isotopically enriched 201Hg(II) and Me204Hg. In all surface (0-20 cm) sediments there was a significant (pdetermined specific potential methylation rate constant (Km, day-1) and % MeHg (concentrations of MeHg normalized to total Hg) in the sediment. This indicates that MeHg production overruled degradation and input/output processes of MeHg in surface sediments, and that % MeHg in surface sediments may be used as a proxy for net production of MeHg. To our knowledge, these are the first data showing significant positive relationships between short term (48 h) MeHg production and longer term accumulation of MeHg, across a range of sites with different properties (1). If MeHg was not normalized to total Hg, the relationship was not significant. For sub-sets of

  6. The influence of total organic carbon (TOC) on the relationship between acid neutralizing capacity (ANC) and fish status in Norwegian lakes.

    Science.gov (United States)

    Lydersen, Espen; Larssen, Thorjørn; Fjeld, Eirik

    2004-06-29

    Acid neutralizing capacity (ANC) is the parameter most commonly used as chemical indicator for fish response to acidification. Empirical relationships between fish status of surface waters and ANC have been documented earlier. ANC is commonly calculated as the difference between base cations ([BC]=[Ca2+]+[Mg2+]+[N+]+[K+]) and strong acid anions ([SAA]=[SO4(2)-]+[NO3-]+[Cl-]). This is a very robust calculation of ANC, because none of the parameters incorporated are affected by the partial pressure of CO2, in contrast to the remaining major ions in waters, pH ([H+]), aluminum ([Aln+]), alkalinity ([HCO3-/CO3(2)-]) and organic anions ([An-]). Here we propose a modified ANC calculation where the permanent anionic charge of the organic acids is assumed as a part of the strong acid anions. In many humic lakes, the weak organic acids are the predominant pH-buffering system. Because a significant amount of the weak organic acids have pK-values4.5). This means that they will be permanently present as anions, equal to the strong acid inorganic anions, SO4(2)-, NO3- and Cl-. In the literature, natural organic acids are often described as triprotic acids with a low pK1 value. Assuming a triprotic model, we suggest to add 1/3 of the organic acid charge density to the strong acid anions in the ANC calculation. The suggested organic acid adjusted ANC (ANC(OAA)), is then calculated as follows: ANC(OAA)=[BC]-([SAA]+1/3CD*TOC) where TOC is total organic carbon (mg C L(-1)), and CD=10.2 is charge density of the organic matter (microeq/mg C), based on literature data from Swedish lakes. ANC(OAA) gives significant lower values of ANC in order to achieve equal fish status compared with the traditional ANC calculation. Using ANC(OAA) the humic conditions in lakes are better taken into account. This may also help explain observations of higher ANC needed to have reproducing fish populations in lakes with higher TOC concentrations. Copryright 2003 Elsevier B.V.

  7. CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

    KAUST Repository

    Park, Youngjune

    2012-01-12

    Novel nanoparticle organic hybrid materials (NOHMs), which are comprised of organic oligomers or polymers tethered to an inorganic nanosized cores of various sizes, have been synthesized, and their solvating property for CO 2 was investigated using attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported at temperatures of (298, 308, 323 and 353) K and CO 2 pressure conditions ranging from (0 to 5.5) MPa. The polymeric canopy, or polymer bound to the nanoparticle surface, showed significantly less swelling behavior with enhanced or comparable CO 2 capture capacity compared to pure unbound polyetheramine. © 2011 American Chemical Society.

  8. An approach to the estimative the DBO and the DQO of residual waters by means of the measure of the total organic carbon

    International Nuclear Information System (INIS)

    Munoz, Horacio; Mejia, Gloria; Chaverra, Marlene; Vasquez, Esmeralda

    2000-01-01

    Using parameters like BOD and COD has normally done the measurement of the contents of biodegradable organic matter present in both water and wastewaters. Since the time required to obtain the first of them is too long for practical purposes plus the fact that precision achieved in analysis results is not too high for both, some troubles are encountered when evaluating pollution loads for different objectives (applying water quality criteria to discharge effluents or designing wastewater treatment facilities) this paper presents the results of a method of estimation of both parameters through the use of the total organic carbon contents of waste waters. Its detection is quick and accurate and could mean the access to a tool with many possibilities in water pollution assessment and waste water treatment control

  9. Data set on the effects of conifer control and slash burning on soil carbon, total N, organic matter and extractable micro-nutrients

    Directory of Open Access Journals (Sweden)

    Jonathan D. Bates

    2017-10-01

    Full Text Available Conifer control in sagebrush steppe of the western United States causes various levels of site disturbance influencing vegetation recovery and resource availability. The data set presented in this article include growing season availability of soil micronutrients and levels of total soil carbon, organic matter, and N spanning a six year period following western juniper (Juniperus occidentalis spp. occidentalis reduction by mechanical cutting and prescribed fire of western juniper woodlands in southeast Oregon. These data can be useful to further evaluate the impacts of conifer woodland reduction to soil resources in sagebrush steppe plant communities.

  10. Determination of total and organic mercury and evaluation of methylation and demethylation processes in sediments of the Rio Grande Reservoir, State of Sao Paulo, Brazil

    International Nuclear Information System (INIS)

    Franklin, Robson Leocadio

    2010-01-01

    The Rio Grande reservoir is located in the metropolitan area of Sao Paulo and it is a very important water supply for this region. In the present study bottom waters and sediment samples collected in this reservoir, in four sampling points, in four campaigns, from September 2008 to January 2010, were analyzed. Firstly total Hg was determined in sediment and bottom waters by cold vapor atomic absorption technique (CV AAS). Following, the analytical methodology for organic Hg was adapted from literature, where the organomercurial compounds were extracted with dichloromethane in acid medium and subsequent destruction of organic compounds by bromine chloride. The validation of this methodology, in terms of precision and accuracy, was performed by means of IAEA 405 and BCR-CRM 580 reference materials analyses. For methylation and demethylation processes evaluation in this environment, the following physical and chemical parameters were assessed, in situ: pH, water temperature, redox potential (EH), transparency and depth. For the sediment samples, granulometry, total organic carbon, sulphate-reducing bacteria, total N and P, besides the metals Co, Cu, Fe and Mn were evaluated. The selection of these parameters was related to the factors that influence the behavior of MeHg in the sediments and its transition zone. Total Hg ranging from 1.0 to 71.0 mg kg'- 1 and organic mercury from -1 in sediments and methylation rates from 0.06 to 1.4% were found, along the reservoir. Different methylation conditions along the reservoir and its influences were also discussed. As supplementary study the concentration of some metals and trace elements in the sediments by neutron activation analysis technique was determined. As, Ba, Br, Co, Cr, Cs, Hf, Fe, Na, Rb, Sb, Sc and Zn and rare earth elements Ce, Eu, La, Lu, Nd, Sm and Yb were determined. The enrichment factor in relation to earth crust values using Sc as normalizer element reached values higher than 2.0 for the elements As, Br

  11. Halide Perovskites: New Science or ``only'' future Energy Converters?

    Science.gov (United States)

    Cahen, David

    Over the years many new ideas and systems for photovoltaic, PV, solar to electrical energy conversion have been explored, but only a few have really impacted PV's role as a more sustainable, environmentally less problematic and safer source of electrical power than fossil or nuclear fuel-based generation. Will Halide Perovskites, HaPs, be able to join the very select group of commercial PV options? To try to address this question, we put Halide Perovskite(HaP) cells in perspective with respect to other PV cells. Doing so also allows to identify fundamental scientific issues that can be important for PV and beyond. What remains to be seen is if those issues lead to new science or scientific insights or additional use of existing models. Being more specific is problematic, given the fact that this will be 4 months after writing this abstract. Israel National Nano-initiative, Weizmann Institute of Science's Alternative sustainable Energy Research Initiative; Israel Ministries of -Science and of -Infrastructure, Energy & Water.

  12. Melting and liquid structure of polyvalent metal halides

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1992-08-01

    A short review is given of recent progress in determining and understanding liquid structure types and melting mechanisms for halides of polyvalent metals. The nature of the preferred local coordination for the polyvalent metal ion in the melt can usually be ascertained from data on liquid mixtures with halogen-donating alkali halides. The stability of these local coordination states and the connectivity that arises between them in the approach to the pure melt determines the character of its short-range and possible medium-range order. A broad classification of structural and melting behaviours can be given on the basis of measured melting parameters and transport coefficients for many compounds, in combination with the available diffraction data on the liquid structure of several compounds. Correlations have been shown to exist with a simple indicator of the nature of the chemical bond and also with appropriate parameters of ionic models, wherever the latter are usefully applicable for semiquantitative calculations of liquid structure. Consequences on the mechanisms for valence electron localization in solutions of metallic elements into strongly structured molten salts are also briefly discussed. (author). 46 refs, 4 figs, 2 tabs

  13. Sodium-metal halide and sodium-air batteries.

    Science.gov (United States)

    Ha, Seongmin; Kim, Jae-Kwang; Choi, Aram; Kim, Youngsik; Lee, Kyu Tae

    2014-07-21

    Impressive developments have been made in the past a few years toward the establishment of Na-ion batteries as next-generation energy-storage devices and replacements for Li-ion batteries. Na-based cells have attracted increasing attention owing to low production costs due to abundant sodium resources. However, applications of Na-ion batteries are limited to large-scale energy-storage systems because of their lower energy density compared to Li-ion batteries and their potential safety problems. Recently, Na-metal cells such as Na-metal halide and Na-air batteries have been considered to be promising for use in electric vehicles owing to good safety and high energy density, although less attention is focused on Na-metal cells than on Na-ion cells. This Minireview provides an overview of the fundamentals and recent progress in the fields of Na-metal halide and Na-air batteries, with the aim of providing a better understanding of new electrochemical systems. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Self-trapped holes in alkali silver halide crystals

    International Nuclear Information System (INIS)

    Awano, T.; Ikezawa, M.; Matsuyama, T.

    1995-01-01

    γ-Ray irradiation at 77 K induces defects in M 2 AgX 3 (M=Rb, K and NH 4 ; X=Br and I) crystals. The irradiation induces self-trapped holes of the form of I 0 in the case of alkali silver iodides, and (halogen) 2 - and (halogen) 0 in the case of ammonium silver halides. The (halogen) 0 is weakly coupled with the nearest alkali metal ion or ammonium ion. It is able to be denoted as RbI + , KI + , NH 4 I + or NH 4 Br + . The directions of hole distribution of (halogen) 2 - and (halogen) 0 were different in each case of the alkali silver iodides, ammonium silver halides and mixed crystal of them. The (halogen) 0 decayed at 160 K in annealing process. The (halogen) 2 - was converted into another form of (halogen) 2 - at 250 K and this decayed at 310 K. A formation of metallic layers was observed on the crystal surface parallel with the c-plane of (NH 4 ) 2 AgI 3 irradiated at room temperature. (author)

  15. Nature of the superionic transition in Ag+ and Cu+ halides

    International Nuclear Information System (INIS)

    Keen, D.A.; Hull, S.; Barnes, A.C.; Berastegui, P.; Crichton, W.A.; Madden, P.A.; Tucker, M.G.; Wilson, M.

    2003-01-01

    Silver and copper halides generally display an abrupt (first-order) transition to the superionic state. However, powder diffraction studies and molecular dynamics (MD) simulations of AgI under hydrostatic pressure both indicate that a continuous superionic transition occurs on heating. The gradual onset of the highly conducting state is accompanied by an increasing fraction of dynamic Frenkel defects, a peak in the specific heat and anomalous behavior of the lattice expansion. Similar methods have been employed to investigate the proposed continuous superionic transition between the two ambient pressure face centered cubic phases of CuI. This is difficult to examine experimentally, because the hexagonal β phase exists over a narrow temperature range between the γ (cation ordered) and α (cation disordered) phases. MD simulations performed with the simulation box constrained to remain cubic at all temperatures show that, although limited Cu + Frenkel disorder occurs within γ-CuI, CuI undergoes an abrupt superionic transition at 670 K to the superionic α phase. This is supported by powder neutron diffraction studies of CuI lightly doped with Cs + to prevent stabilization of the β phase. The implications of these results on the phase transitions of other copper and silver halide superionic conductors are discussed

  16. Protonation of octadecylamine Langmuir monolayer by adsorption of halide counterions

    Science.gov (United States)

    Sung, Woongmo; Avazbaeva, Zaure; Lee, Jonggwan; Kim, Doseok

    Langmuir monolayer consisting of octadecylamine (C18H37NH2, ODA) was investigated by heterodyne vibrational sum-frequency generation (HD-VSFG) spectroscopy in conjunction with surface pressure-area (π- A) isotherm, and the result was compared with that from cationic-lipid (DPTAP) Langmuir monolayer. In case of ODA monolayer on pure water, both SF intensity of water OH band and the surface pressure were significantly smaller than those of the DPTAP monolayer implying that only small portion of the amine groups (-NH3+ is protonated in the monolayer. In the presence of sodium halides (NaCl and NaI) in the subphase water, it was found that the sign of Imχ (2) of water OH band remained the same as that of the ODA monolayer on pure water, but there was a substantial increase in the SF amplitude. From this, we propose that surface excess of the halide counterions (Cl- and I-) makes the solution condition near the ODA monolayer/water interface more acidic so that ODA molecules in the monolayer are more positively charged, which works to align the water dipoles at the interface.

  17. Halide salts accelerate degradation of high explosives by zerovalent iron

    International Nuclear Information System (INIS)

    Kim, Jong Sung; Shea, Patrick J.; Yang, Jae E.; Kim, Jang-Eok

    2007-01-01

    Zerovalent iron (Fe 0 , ZVI) has drawn great interest as an inexpensive and effective material to promote the degradation of environmental contaminants. A focus of ZVI research is to increase degradation kinetics and overcome passivation for long-term remediation. Halide ions promote corrosion, which can increase and sustain ZVI reactivity. Adding chloride or bromide salts with Fe 0 (1% w/v) greatly enhanced TNT, RDX, and HMX degradation rates in aqueous solution. Adding Cl or Br salts after 24 h also restored ZVI reactivity, resulting in complete degradation within 8 h. These observations may be attributed to removal of the passivating oxide layer and pitting corrosion of the iron. While the relative increase in degradation rate by Cl - and Br - was similar, TNT degraded faster than RDX and HMX. HMX was most difficult to remove using ZVI alone but ZVI remained effective after five HMX reseeding cycles when Br - was present in solution. - The addition of halide ions promotes the degradation of high explosives by zerovalent iron

  18. Effect of Cation Rotation on Charge Dynamics in Hybrid Lead Halide Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Gélvez-Rueda, María C.; Cao, Duyen H.; Patwardhan, Sameer; Renaud, Nicolas; Stoumpos, Constantinos C.; Schatz, George C.; Hupp, Joseph T.; Farha, Omar K.; Savenije, Tom J.; Kanatzidis, Mercouri G.; Grozema, Ferdinand C.

    2016-08-04

    Organic-inorganic hybrid halide perovskites are a promising class of materials for photovoltaic application with reported power efficiencies over similar to 22%. However, not much is known about the influence of the organic dipole rotation and phase transitions on charge carrier dynamics. Here, we report substantial changes in mobility and lifetime of charge carriers in CH3NH3PbI3 after the low-temperature tetragonal (beta) to orthorhombic (gamma) phase transition. By using microwave conductivity measurements, we observed that the mobility and lifetime of ionized charge carriers increase as the temperature decreases and a sudden increment is seen after the beta-gamma phase transition. For CH3NH3PbI3, the mobility and the half-lifetime increase by a factor of 36 compared with the values before the beta-gamma phase transition. We attribute the considerable change in the dynamics at low temperature to the decrease of the inherent dynamic disorder of the organic cation (CH3NH3+) inside the perovskite crystal structure.

  19. Three decadal inputs of total organic carbon from four major coastal river basins to the summer hypoxic zone of the Northern Gulf of Mexico.

    Science.gov (United States)

    He, Songjie; Xu, Y Jun

    2015-01-15

    This study investigated long-term (1980-2009) yields and variability of total organic carbon (TOC) from four major coastal rivers in Louisiana entering the Northern Gulf of Mexico where a large-area summer hypoxic zone has been occurring since the middle 1980s. Two of these rivers drain agriculture-intensive (>40%) watersheds, while the other two rivers drain forest-pasture dominated (>50%) watersheds. The study found that these rivers discharged a total of 13.0×10(4)t TOC annually, fluctuating from 5.9×10(4) to 22.8×10(4)t. Seasonally, the rivers showed high TOC yield during the winter and early spring months, corresponding to the seasonal trend of river discharge. While river hydrology controlled TOC yields, land use has played an important role in fluxes, seasonal variations, and characteristics of TOC. The findings fill in a critical information gap of quantity and quality of organic carbon transport from coastal watersheds to one of the world's largest summer hypoxic zones. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Refined global methyl halide budgets with respect to rapeseed (Brassica napus) by life-cycle measurements

    Science.gov (United States)

    Jiao, Y.; Acdan, J.; Xu, R.; Deventer, M. J.; Rhew, R. C.

    2017-12-01

    A precise quantification of global methyl halide budgets is needed to evaluate the ozone depletion potential of these compounds and to predict future changes of stratospheric ozone. However, the global budgets of methyl halides are not balanced between currently identified and quantified sources and sinks. Our study re-evaluated the methyl bromide budget from global cultivated rapeseed (Brassica napus) through life-cycle flux measurements both in the greenhouse and in the field, yielding a methyl bromide emission rate that scales globally to 1.0 - 1.2 Gg yr-1. While this indicates a globally significant source, it is much smaller than the previously widely cited value of 5 - 6 Gg yr-1(Mead et al., 2008), even taking into account the near tripling of annual global yield of rapeseed since the previous evaluation was conducted. Our study also evaluated the methyl chloride and methyl iodide emission levels from rapeseed, yielding emission rates that scale to 5.4 Gg yr-1 for methyl chloride and 1.8 Gg yr-1 of methyl iodide. The concentrations of the methyl donor SAM (S-adenosyl methionine) and the resultant product SAH (S-Adenosyl-L-homocysteine) were also analyzed to explore their role in biogenic methyl halide formation. Halide gradient incubations showed that the magnitude of methyl halide emissions from rapeseed is highly correlated to soil halide levels, thus raising the concern that the heterogeneity of soil halide contents geographically should be considered when extrapolating to global budget.

  1. Effectiveness of team nursing compared with total patient care on staff wellbeing when organizing nursing work in acute care wards: a systematic review.

    Science.gov (United States)

    King, Allana; Long, Lesley; Lisy, Karolina

    2015-11-01

    The organization of the work of nurses, according to recognized models of care, can have a significant impact on the wellbeing and performance of nurses and nursing teams. This review focuses on two models of nursing care delivery, namely, team and total patient care, and their effect on nurses' wellbeing. To examine the effectiveness of team nursing compared to total patient care on staff wellbeing when organizing nursing work in acute care wards. Participants were nurses working on wards in acute care hospitals.The intervention was the use of a team nursing model when organizing nursing work. The comparator was the use of a total patient care model.This review considered quantitative study designs for inclusion in the review.The outcome of interest was staff wellbeing which was measured by staff outcomes in relation to job satisfaction, turnover, absenteeism, stress levels and burnout. The search strategy aimed to find both published and unpublished studies from 1995 to April 21, 2014. Quantitative papers selected for retrieval were assessed by two independent reviewers for methodological validity prior to inclusion in the review using standardized critical appraisal instruments from the Joanna Briggs Institute. Data was extracted from papers included in the review using the standardized data extraction tool from the Joanna Briggs Institute. The data extracted included specific details about the interventions, populations, study methods and outcomes of significance to the review question and its specific objectives. Due to the heterogeneity of the included quantitative studies, meta-analysis was not possible. Results have been presented in a narrative form. The database search returned 10,067 records. Forty-three full text titles were assessed, and of these 40 were excluded, resulting in three studies being included in the review. Two of the studies were quasi experimental designs and the other was considered an uncontrolled before and after experimental study

  2. Integration of In-Flight and Post-Flight Water Monitoring Resources in Addressing the U.S. Water Processor Assembly Total Organic Carbon (TOC) Anomaly

    Science.gov (United States)

    Straub, John E., II; McCly, J. Torin

    2011-01-01

    Beginning in June of 2010, the total organic carbon (TOC) concentration in the U.S. Water Processor Assembly (WPA) product water started to increase. A surprisingly consistent upward TOC trend was observed through weekly ISS total organic carbon analyzer (TOCA) monitoring. As TOC is a general organic compound indicator, return of water archive samples was needed to make better-informed crew health decisions on the specific compounds of concern and to aid in WPA troubleshooting. TOCA-measured TOC was more than halfway to the health-based screening limit of 3,000 g/L before archive samples were returned. Archive samples were returned on 22 Soyuz in September 2010 and on ULF5 in November of 2010. The samples were subjected to extensive analysis. Although TOC was confirmed to be elevated, somewhat surprisingly, none of the typical target compounds were detected at high levels. After some solid detective work, it was confirmed that the TOC was associated with a compound known as dimethylsilanediol (DMSD). DMSD is believed to be a breakdown product of siloxanes which are thought to be ubiquitous in the ISS atmosphere. A toxicological limit was set for DMSD and a forward plan was developed for conducting operations in the context of understanding the composition of the TOC measured in flight. This required careful consideration of existing ISS flight rules, coordination with ISS stakeholders, and development of a novel approach for the blending of inflight TOCA data with archive results to protect crew health. Among other challenges, team members had to determine how to utilize TOCA readings when making decisions about crew consumption of WPA water. This involved balancing very real concerns associated with the assumption that TOC would continue to be comprised of only DMSD. Demonstrated teamwork, multidisciplinary awareness, and innovative problem-solving were required to respond effectively to this anomaly.

  3. A simple approach to estimate daily loads of total, refractory, and labile organic carbon from their seasonal loads in a watershed.

    Science.gov (United States)

    Ouyang, Ying; Grace, Johnny M; Zipperer, Wayne C; Hatten, Jeff; Dewey, Janet

    2018-05-22

    Loads of naturally occurring total organic carbons (TOC), refractory organic carbon (ROC), and labile organic carbon (LOC) in streams control the availability of nutrients and the solubility and toxicity of contaminants and affect biological activities through absorption of light and complex metals with production of carcinogenic compounds. Although computer models have become increasingly popular in understanding and management of TOC, ROC, and LOC loads in streams, the usefulness of these models hinges on the availability of daily data for model calibration and validation. Unfortunately, these daily data are usually insufficient and/or unavailable for most watersheds due to a variety of reasons, such as budget and time constraints. A simple approach was developed here to calculate daily loads of TOC, ROC, and LOC in streams based on their seasonal loads. We concluded that the predictions from our approach adequately match field measurements based on statistical comparisons between model calculations and field measurements. Our approach demonstrates that an increase in stream discharge results in increased stream TOC, ROC, and LOC concentrations and loads, although high peak discharge did not necessarily result in high peaks of TOC, ROC, and LOC concentrations and loads. The approach developed herein is a useful tool to convert seasonal loads of TOC, ROC, and LOC into daily loads in the absence of measured daily load data.

  4. Carbono orgânico e nitrogênio total do solo e suas relações com os espaçamentos de plantio de cafeeiro Soil organic carbon and total nitrogen as related with coffee spacing

    Directory of Open Access Journals (Sweden)

    Otacílio José Passos Rangel

    2008-10-01

    Full Text Available A densidade de plantio e o arranjo das plantas exercem influência sobre a produção de resíduos vegetais nos agroecossistemas cafeeiros. Esse aporte diferenciado de resíduos regula os teores de C e N do solo. Este trabalho objetivou avaliar os teores de C orgânico e de N total em um Latossolo Vermelho distrófico cultivado com cafeeiro com diversos espaçamentos de plantio. O experimento foi conduzido no período de 1992 a 2004 na Fazenda Experimental da EPAMIG, em Machado (MG. Os tratamentos avaliados consistiram da combinação de quatro espaçamentos entre linhas (2,0; 2,5; 3,0; e 3,5 m, três espaçamentos entre plantas (0,5; 0,75; e 1,0 m e dois sistemas de manejo dos resíduos culturais (entrelinha - EL e projeção da copa - PC, totalizando 24 tratamentos, dispostos no campo em blocos ao acaso, em esquema fatorial 4 x 3 x 2, com três repetições. Foram avaliados os teores de C orgânico (CO e de N total do solo (NT, além da relação CO/NT. Nas amostras de solo da EL, os teores de CO e NT foram maiores do que os da PC. O espaçamento de plantio influenciou os teores de CO, com os maiores valores, em geral, no espaçamento de 3,5 m entre as linhas de plantio, quando a distância entre plantas foi de 0,5 e 0,75 m, na profundidade de 0-0,05 m. O maior acúmulo de resíduos vegetais, o menor revolvimento do solo e, conseqüentemente, os maiores teores de matéria orgânica favorecem a ocorrência de maiores teores de CO e NT na EL. A retirada da mata e o cultivo do solo com cafeeiro por 11 anos resultou em decréscimo nos teores de CO de 26 % a 38 % na EL e na PC, respectivamente, e diminuição média de 25 % nos teores de NT.The density and arrangement of trees influences the production of plant residues in coffee agroecosystems. This differentiated input of biomass regulates the contents of soil-C and -N. This study aimed to evaluate the contents of organic C and total N in a Typic Hapludox, in different spacings of (Coffea arabica

  5. Deriving an atmospheric budget of total organic bromine using airborne in-situ measurements of brominated hydrocarbons in the Western Pacific during SHIVA

    Science.gov (United States)

    Sala, Stephan; Bönisch, Harald; Keber, Timo; Oram, Dave; Mills, Graham; Engel, Andreas

    2014-05-01

    Halogenated hydrocarbons play a major role as precursors for stratospheric ozone depletion. Released from the surface in the troposphere, the halocarbons reach the stratosphere via transport through the tropical tropopause layer. The contribution of the so called very short lived species (VSLS), having atmospheric lifetimes of less than half a year as sources gases for stratospheric bromine is significant. Source gas observations of long-lived bromine compounds and VSLS have so far not been able to explain the amount of bromine derived in the stratosphere from observations of BrO and modeling of the ratio of BrO to total bromine. Due to the short lifetimes and the high atmospheric variability, the representativeness of the available observations of VSLS source gases remains unclear, as these may vary with region and display seasonal variability. During the SHIVA (Stratospheric Ozone: Halogen Impacts in a Varying Atmosphere) project an extensive dataset with over 700 samples of ambient air of all halogen species relevant for the atmospheric budget of total organic bromine (long lived halocarbons: H-1301, H-1211, H-1202, H-2402 and CH3Br, very short lived substances: CHBr3, CH2Br2, CHBr2Cl, CHBrCl2 and CHBrCl) have been collected from onboard the FALCON aircraft in the West Pacific region. Measurements were performed with the newly developed fully-automated in-situ instrument GHOST-MS (Gas chromatograph for the Observation of Tracers - coupled with a Mass Spectrometer) by the Goethe University of Frankfurt and with the onboard whole-air sampler WASP with subsequent ground based state-of-the-art GC/MS analysis by the University of East Anglia. We will present the datasets, compare these to other observation, derive a bromine budget for the West Pacific and derive an estimate of the amount of bromine from VSLS reaching the stratosphere. Using the mean mixing ratios in the upper troposphere of the halocarbons mentioned above, the calculated budget of the total organic

  6. Postoperative Quality of Life after Total Gastrectomy Compared with Partial Gastrectomy: Longitudinal Evaluation by European Organization for Research and Treatment of Cancer-OG25 and STO22.

    Science.gov (United States)

    Lee, Jeong-Hwan; Lee, Hyuk-Joon; Choi, Yun Suk; Kim, Tae Han; Huh, Yeon-Ju; Suh, Yun-Suhk; Kong, Seong-Ho; Yang, Han-Kwang

    2016-12-01

    The European Organization for Research and Treatment of Cancer quality-of-life questionnaire-OG25 was developed to evaluate the quality of life in patients with stomach and esophageal cancer. The following are included in the OG25 but not in the STO22: odynophagia, choked when swallowing, weight loss, trouble eating with others, trouble swallowing saliva, trouble talking, and trouble with coughing. In this study, we evaluated the quality of life of gastrectomized patients using both, the OG25 and the STO22. A total of 138 patients with partial gastrectomy (PG) (distal gastrectomy=91; pylorus-preserving gastrectomy= 47) and 44 patients with total gastrectomy (TG) were prospectively evaluated. Body weight and scores from the OG25 and STO22 were evaluated preoperatively and at 3 weeks, 3 months, and 6 months after surgery. Patients with TG had significant weight loss compared to patients with PG. At 3 months, TG was associated with worse scores for dysphagia, eating, odynophagia, trouble eating with others, trouble with taste, and weight loss on the OG25. TG was also associated with dysphagia, eating restrictions, and anxiety on the STO22. The OG25 helped differentiate between the groups with respect to weight loss, odynophagia, choked when swallowing, and trouble eating with others. The OG25 scores changed over time and were significantly different. The OG25 is a more sensitive and useful scale than the STO22 for evaluating the quality of life of gastrectomized patients, especially those with total gastrectomy.

  7. Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts

    KAUST Repository

    Falivene, Laura; Poater, Albert; Cazin, Catherine S J; Slugovc, Christian; Cavallo, Luigi

    2013-01-01

    A DFT analysis of the strength of the Ru-halide bond in a series of typical olefin metathesis (pre)catalysts is presented. The calculated Ru-halide bond energies span the rather broad window of 25-43 kcal mol-1. This indicates that in many systems dissociation of the Ru-halide bond is possible and is actually competitive with dissociation of the labile ligand generating the 14e active species. Consequently, formation of cationic Ru species in solution should be considered as a possible event. © 2013 The Royal Society of Chemistry.

  8. Development of halide copper vapor laser (the characteristics of using Cul)

    International Nuclear Information System (INIS)

    Oouti, Kazumi; Wada, Yukio; Sasao, Nobuyuki

    1990-01-01

    We are developing halide copper vapor laser that is high efficiency and high reputation rate visible laser. Halide copper vapor laser uses halide copper of copper vapor source. It melts low temperature in comporison with metal copper, because laser tube structure is very simple and it can operate easy. This time, we experiment to use Cul for copper vapor source. We resulted maximum output energy 17.8 (W) and maximum efficiency 0.78 (%) when operate condition was reputation rate 30 (kHz), gas pressure 90 (Torr), charging voltage 13 (kV). (author)

  9. Amine-Free Synthesis of Cesium Lead Halide Perovskite Quantum Dots for Efficient Light-Emitting Diodes

    KAUST Repository

    Yassitepe, Emre; Yang, Zhenyu; Voznyy, Oleksandr; Kim, Younghoon; Walters, Grant; Castañ eda, Juan Andres; Kanjanaboos, Pongsakorn; Yuan, Mingjian; Gong, Xiwen; Fan, Fengjia; Pan, Jun; Hoogland, Sjoerd; Comin, Riccardo; Bakr, Osman; Padilha, Lazaro A.; Nogueira, Ana F.; Sargent, Edward H.

    2016-01-01

    Cesium lead halide perovskite quantum dots (PQDs) have attracted significant interest for optoelectronic applications in view of their high brightness and narrow emission linewidth at visible wavelengths. A remaining challenge is the degradation of PQDs during purification from the synthesis solution. This is attributed to proton transfer between oleic acid and oleylamine surface capping agents that leads to facile ligand loss. Here, a new synthetic method is reported that enhances the colloidal stability of PQDs by capping them solely using oleic acid (OA). Quaternary alkylammonium halides are used as precursors, eliminating the need for oleylamine. This strategy enhances the colloidal stability of OA capped PQDs during purification, allowing us to remove excess organic content in thin films. Inverted red, green, and blue PQD light-emitting diodes (LED) are fabricated for the first time with solution-processed polymer-based hole transport layers due to higher robustness of OA capped PQDs to solution processing. The blue and green LEDs exhibit threefold and tenfold improved external quantum efficiency (EQE), respectively, compared to prior related reports for amine/ammonium capped cross-linked PQDs. The brightest blue LED based on all inorganic CsPb(Br1- xClx)3 PQDs is also reported. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.

    Science.gov (United States)

    Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru

    2018-05-22

    The catalytic activities of eight copper(i) halide clusters assembled from copper(i) halide and ferrocenyltelluroethers, 1-8, were investigated in C-N formation under various conditions. A catalytic procedure using poly(ethylene glycol) (PEG-400) as a greener alternative organic solvent has been developed. The PEG-400/5 system can achieve 99% targeted yield with a mild reaction temperature and short reaction time. After the isolation of the products by extraction with diethyl ether, this PEG-400/cluster system could be easily recycled. Spectroscopic studies elucidate a stepwise mechanism: firstly, proton-coupled electron transfer (PCET) involving the transfer of an electron from Cu+ and a proton from imidazole results in the formation of a labile penta-coordinated Cu2+ and aryl radical; the following effective electron transfer from the ferrocene unit reduces Cu2+ and forms the target product; finally, the ferrocenium unit is reduced by the I- anion. The merits of this eco-friendly synthesis are the efficient utilization of reagents and easy recyclability.

  11. Amine-Free Synthesis of Cesium Lead Halide Perovskite Quantum Dots for Efficient Light-Emitting Diodes

    KAUST Repository

    Yassitepe, Emre

    2016-10-31

    Cesium lead halide perovskite quantum dots (PQDs) have attracted significant interest for optoelectronic applications in view of their high brightness and narrow emission linewidth at visible wavelengths. A remaining challenge is the degradation of PQDs during purification from the synthesis solution. This is attributed to proton transfer between oleic acid and oleylamine surface capping agents that leads to facile ligand loss. Here, a new synthetic method is reported that enhances the colloidal stability of PQDs by capping them solely using oleic acid (OA). Quaternary alkylammonium halides are used as precursors, eliminating the need for oleylamine. This strategy enhances the colloidal stability of OA capped PQDs during purification, allowing us to remove excess organic content in thin films. Inverted red, green, and blue PQD light-emitting diodes (LED) are fabricated for the first time with solution-processed polymer-based hole transport layers due to higher robustness of OA capped PQDs to solution processing. The blue and green LEDs exhibit threefold and tenfold improved external quantum efficiency (EQE), respectively, compared to prior related reports for amine/ammonium capped cross-linked PQDs. The brightest blue LED based on all inorganic CsPb(Br1- xClx)3 PQDs is also reported. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Pressure-Induced Metallization of the Halide Perovskite (CH 3 NH 3 )PbI 3

    Energy Technology Data Exchange (ETDEWEB)

    Jaffe, Adam; Lin, Yu [Photon; Mao, Wendy L. [Photon; Karunadasa, Hemamala I.

    2017-03-10

    We report the metallization of the hybrid perovskite semiconductor (MA)PbI3 (MA = CH3NH3+) with no apparent structural transition. We tracked its bandgap evolution during compression in diamond-anvil cells using absorption spectroscopy and observed strong absorption over both visible and IR wavelengths at pressures above ca. 56 GPa, suggesting the imminent closure of its optical bandgap. The metallic character of (MA)PbI3 above 60 GPa was confirmed using both IR reflectivity and variable-temperature dc conductivity measurements. The impressive semiconductor properties of halide perovskites have recently been exploited in a multitude of optoelectronic applications. Meanwhile, the study of metallic properties in oxide perovskites has revealed diverse electronic phenomena. Importantly, the mild synthetic routes to halide perovskites and the templating effects of the organic cations allow for fine structural control of the inorganic lattice. Pressure-induced closure of the 1.6 eV bandgap in (MA)PbI3 demonstrates the promise of the continued study of halide perovskites under a range of thermodynamic conditions, toward realizing wholly new electronic properties.

  13. High Photoluminescence Quantum Yield in Band Gap Tunable Bromide Containing Mixed Halide Perovskites.

    Science.gov (United States)

    Sutter-Fella, Carolin M; Li, Yanbo; Amani, Matin; Ager, Joel W; Toma, Francesca M; Yablonovitch, Eli; Sharp, Ian D; Javey, Ali

    2016-01-13

    Hybrid organic-inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low-cost solution processability. Here, we present a two-step low-pressure vapor-assisted solution process to grow high quality homogeneous CH3NH3PbI3-xBrx perovskite films over the full band gap range of 1.6-2.3 eV. Photoluminescence light-in versus light-out characterization techniques are used to provide new insights into the optoelectronic properties of Br-containing hybrid organic-inorganic perovskites as a function of optical carrier injection by employing pump-powers over a 6 orders of magnitude dynamic range. The internal luminescence quantum yield of wide band gap perovskites reaches impressive values up to 30%. This high quantum yield translates into substantial quasi-Fermi level splitting and high "luminescence or optically implied" open-circuit voltage. Most importantly, both attributes, high internal quantum yield and high optically implied open-circuit voltage, are demonstrated over the entire band gap range (1.6 eV ≤ Eg ≤ 2.3 eV). These results establish the versatility of Br-containing perovskite semiconductors for a variety of applications and especially for the use as high-quality top cell in tandem photovoltaic devices in combination with industry dominant Si bottom cells.

  14. Replacement of chemical oxygen demand (COD) with total organic carbon (TOC) for monitoring wastewater treatment performance to minimize disposal of toxic analytical waste.

    Science.gov (United States)

    Dubber, Donata; Gray, Nicholas F

    2010-10-01

    Chemical oxygen demand (COD) is widely used for wastewater monitoring, design, modeling and plant operational analysis. However this method results in the production of hazardous wastes including mercury and hexavalent chromium. The study examined the replacement of COD with total organic carbon (TOC) for general performance monitoring by comparing their relationship with influent and effluent samples from 11 wastewater treatment plants. Biochemical oxygen demand (BOD5) was also included in the comparison as a control. The results show significant linear relationships between TOC, COD and BOD5 in settled (influent) domestic and municipal wastewaters, but only between COD and TOC in treated effluents. The study concludes that TOC can be reliably used for the generic replacement of both COD (COD=49.2+3.00*TOC) and BOD5 (BOD5=23.7+1.68*TOC) in influent wastewaters but only for COD (COD=7.25+2.99*TOC) in final effluents.

  15. Total gaseous mercury and volatile organic compounds measurements at five municipal solid waste disposal sites surrounding the Mexico City Metropolitan Area

    Science.gov (United States)

    de la Rosa, D. A.; Velasco, A.; Rosas, A.; Volke-Sepúlveda, T.

    The daily municipal solid waste (MSW) generation in the Mexico City Metropolitan Area (MCMA) is the highest nationwide (˜26000 ton day -1); this amount is discarded in sanitary landfills and controlled dumps. Information about the type and concentration of potential pollutants contained in landfill gas (LFG) from these MSW disposal sites is limited. This study intends to generate information about the composition of LFG from five MSW disposal sites with different operational characteristics and stages, in order to identify their contribution as potential pollutant sources of total gaseous mercury (TGM) and volatile organic compounds (VOCs). Important methane (CH 4) contents (>55%) in LFG were registered at three of the five sites, while two sites were found in semi-aerobic conditions (CH 4clay cover. High values of the TGM air/LFG ratio were also related to external TGM sources of influence, as a landfill in operation stage located at a highly industrialized area.

  16. Effects of combustion temperature on air emissions and support fuel consumption in full scale fluidized bed sludge incineration: with particular focus on nitrogen oxides and total organic carbon.

    Science.gov (United States)

    Löschau, Margit

    2018-04-01

    This article describes a pilot test at a sewage sludge incineration plant and shows its results considering the impacts of reducing the minimum combustion temperature from 850°C to 800°C. The lowering leads to an actual reduction of the average combustion temperature by 25 K and a significant reduction in the fuel oil consumption for support firing. The test shall be used for providing evidence that the changed combustion conditions do not result in higher air pollutant emissions. The analysis focusses on the effects of the combustion temperature on nitrogen oxides (NO x ) and total organic carbon emissions. The evaluation of all continuously monitored emissions shows reduced emission levels compared to the previous years, especially for NO x .

  17. Metal halide arc discharge lamp having short arc length

    Science.gov (United States)

    Muzeroll, Martin E. (Inventor)

    1994-01-01

    A metal halide arc discharge lamp includes a sealed light-transmissive outer jacket, a light-transmissive shroud located within the outer jacket and an arc tube assembly located within the shroud. The arc tube assembly includes an arc tube, electrodes mounted within the arc tube and a fill material for supporting an arc discharge. The electrodes have a spacing such that an electric field in a range of about 60 to 95 volts per centimeter is established between the electrodes. The diameter of the arc tube and the spacing of the electrodes are selected to provide an arc having an arc diameter to arc length ratio in a range of about 1.6 to 1.8. The fill material includes mercury, sodium iodide, scandium tri-iodide and a rare gas, and may include lithium iodide. The lamp exhibits a high color rendering index, high lumen output and high color temperature.

  18. Structure of some complex halides of uranium(III)

    International Nuclear Information System (INIS)

    Volkov, V.A.; Suglobova, I.G.; Chirkst, D.E.

    1987-01-01

    Polycrystals of some halide complexes of uranium(III) were obtained and investigated by x-ray diffraction. The M 2 UCl 5 compounds (M = K, Rb) are isostructural with K 2 PrCl 5 ; RbU 2 Cl 7 is of the same type as RbDy 2 Cl 7 or KDy 2 Cl 7 . The coordination number of the uranium is 7. The M 2 UBr 5 compounds (M = K-Cs) are isostructural with Cs 2 DyCl 5 , and the coordination number of the uranium is 6. Rb 2 NaUCl 6 is a 12L-hexagonal polytype, the structural analog of Cs 2 NaCrF 6 . The most characteristic coordination number of uranium in the UHal 3 -MHal systems is 8 for Hal = F, 7 for Hal = Cl, and 6 for Hal = Br

  19. Phase-resolved response of a metal-halide lamp

    International Nuclear Information System (INIS)

    Flikweert, A J; Beks, M L; Nimalasuriya, T; Kroesen, G M W; Van der Mullen, J J A M; Stoffels, W W

    2009-01-01

    The metal-halide (MH) lamp sometimes shows unwanted colour segregation, caused by a combination of convection and diffusion. In the past we investigated the lamp, running on a switched dc ballast of 120 Hz, using a dc approximation for the distribution of the radiating species. Here we present phase-resolved intensity measurements to verify this approximation. The MH lamp contains Hg as buffer gas and DyI 3 as salt additive; we measure the light emitted by Dy and by Hg atoms. An intensity fluctuation of ∼25% close to the electrodes is found only. The observed fluctuations are explained by the cataphoresis effect and temperature fluctuations; the time scales are in the same order. Furthermore, measurements at higher gravity in a centrifuge (up to 10g) show that the effect becomes smaller at increasing gravity levels. From these results it is concluded that a dc approximation, which is generally assumed by lamp developers, is allowed for this MH lamp.

  20. Ultraviolet optical absorption of alkali cyanides and alkali halide cyanides

    International Nuclear Information System (INIS)

    Souza Camargo Junior, S.A. de.

    1982-09-01

    The ultraviolet absorption spectra of alkali cyanide and mixed alkali halide cyanide crystals were measured at temperatures ranging from 300K down to 4.2K. A set of small absorption peaks was observed at energies near 6 eV and assigned to parity forbidden X 1 Σ + →a' 3 Σ + transitions of the CN - molecular ions. It was observed that the peak position depends on the alkali atom while the absorption cross section strongly depends on the halogen and on the CN - concentration of the mixed crystals. These effects are explained in terms of an interaction between the triplet molecular excitons and charge transfer excitons. The experimental data were fit with a coupling energy of a few meV. The coupling mechanism is discussed and it is found to be due to the overlap between the wave functions of the two excitations. (Author) [pt

  1. Absorption lineshape of FA centers in alkali halides

    International Nuclear Information System (INIS)

    Baldacchini, G.; Giovenale, E.; De Matteis, F.; Scacco, A.; Somma, F.; Grassano, U.M.

    1988-01-01

    The line shape of the absorption bands of F A centers in alkali halides have been studied for the first time. The new method used for this investigation is based on the determination of the overlap between the F A1 and F A2 bands from luminescence measurements. The experimental results have been compared with calculated values deduced from the theoretical F A bands of different shapes. For both F A (I) centers in KCl:Na + and F A (II) centers in KCl:Li + and RbCl:Li + the absorption lineshape at low temperature is much closer to a sum of two Lorentzian curves than that of two Gaussian or Poissonian bands. This results shows an unexpected difference with the F centers, whose absorption lineshape is known to be Poissonian at the same temperatures

  2. The Effect of Radiation "Memory" in Alkali-Halide Crystals

    Science.gov (United States)

    Korovkin, M. V.; Sal'nikov, V. N.

    2017-01-01

    The exposure of the alkali-halide crystals to ionizing radiation leads to the destruction of their structure, the emergence of radiation defects, and the formation of the electron and hole color centers. Destruction of the color centers upon heating is accompanied by the crystal bleaching, luminescence, and radio-frequency electromagnetic emission (REME). After complete thermal bleaching of the crystal, radiation defects are not completely annealed, as the electrons and holes released from the color centers by heating leave charged and locally uncompensated defects. Clusters of these "pre centers" lead to electric microheterogeneity of the crystal, the formation of a quasi-electret state, and the emergence of micro-discharges accompanied by radio emission. The generation of REME associated with residual defectiveness, is a manifestation of the effect of radiation "memory" in dielectrics.

  3. Coulometric thermometric titration of halides in molten calcium nitrate tetrahydrate.

    Science.gov (United States)

    Zsigrai, I J; Bartusz, D B

    1983-01-01

    A method for coulometric thermometric precipitation titrations of chloride, bromide and iodide in molten calcium nitrate tetrahydrate at 55 degrees with coulometrically generated silver ions has been developed. The change in temperature during the titration is followed with the aid of a thermistor bridge coupled to a recorder. To minimize the temperature effect of the passage of current through the melt, two thermistors are connected in opposition in the bridge, with one in the anodic and the other in the cathodic cell compartment. Amounts of 62-80 mumole of halide have been determined with relative error below 0.4% and relative standard deviation less than 2.7%. The relative error in determination of 40 mumole of iodide was + 2%.

  4. Gas phase chromatography of halides of elements 104 and 105

    International Nuclear Information System (INIS)

    Tuerler, A.; Gregorich, K.E.; Czerwinski, K.R.; Hannink, N.J.; Henderson, R.A.; Hoffman, D.C.; Kacher, C.D.; Kadkhodayan, B.; Kreek, S.A.; Lee, D.M.; Leyba, J.D.; Nurmia, M.J.; Gaeggeler, H.W.; Jost, D.T.; Kovacs, J.; Scherer, U.W.; Vermeulen, D.; Weber, A.; Barth, H.; Gober, M.K.; Kratz, J.V.; Bruechle, W.; Schaedel, M.; Schimpf, E.; Gober, M.K.; Kratz, J.V.; Zimmermann, H.P.

    1991-04-01

    On-line isothermal gas phase chromatography was used to study halides of 261 104 (T 1/2 = 65 s) and 262,263 105 (T 1/2 = 34 s and 27 s) produced an atom-at-a time via the reactions 248 Cm( 18 O, 5n) and 249 Bk( 18 O, 5n, 4n), respectively. Using HBr and HCl gas as halogenating agents, we were able to produce volatile bromides and chlorides of the above mentioned elements and study their behavior compared to their lighter homologs in Groups 4 or 5 of the periodic table. Element 104 formed more volatile bromides than its homolog Hf. In contrast, element 105 bromides were found to be less volatile than the bromides of the group 5 elements Nb and Ta. Both 104 and Hf chlorides were observed to be more volatile than their respective bromides. 31 refs., 8 figs

  5. M-center growth in alkali halides: computer simulation

    International Nuclear Information System (INIS)

    Aguilar, M.; Jaque, F.; Agullo-Lopez, F.

    1983-01-01

    The heterogeneous interstitial nucleation model previously proposed to explain F-center growth curves in irradiated alkali halides has been extended to account for M-center kinetics. The interstitials produced during the primary irradiation event are assumed to be trapped at impurities and interstitial clusters or recombine with F and M centers. For M-center formation two cases have been considered: (a) diffusion and aggregation of F centers, and (b) statistical generation and pairing of F centers. Process (b) is the only one consistent with the quadratic relationship between M and F center concentrations. However, to account for the F/M ratios experimentally observed as well as for the role of dose-rate, a modified statistical model involving random creation and association of F + -F pairs has been shown to be adequate. (author)

  6. Irradiation damage of alkali halide crystals during positron bombardment

    International Nuclear Information System (INIS)

    Arefiev, K.P.; Arefiev, V.P.; Vorobiev, S.A.

    1978-01-01

    The bleaching effect of positron irradiation of KCl and KBr single crystals previously coloured with electrons or protons was investigated. Positrons injection in the coloured alkali halide samples reduced the F-centres concentration considerably. For KCl crystals thicker than the positrons range the appearance of additional bands in the absorption spectra is noticeable. The experimental data show that the bleaching phenomenon should be observed merely throughout the positron exposure both for irradiated and non-irradiated regions of the sample. Irradiation effects, due to positron source, on the peak counting rate of (γ-γ) angular correlation in KCl crystals under applied magnetic field were also investigated. The growth of peak counting rate shows the increase of positronium-like states formation near defects of cation sublattice. (author)

  7. Water-Induced Dimensionality Reduction in Metal-Halide Perovskites

    KAUST Repository

    Turedi, Bekir

    2018-03-30

    Metal-halide perovskite materials are highly attractive materials for optoelectronic applications. However, the instability of perovskite materials caused by moisture and heat-induced degradation impairs future prospects of using these materials. Here we employ water to directly transform films of the three-dimensional (3D) perovskite CsPbBr3 to stable two-dimensional (2D) perovskite-related CsPb2Br5. A sequential dissolution-recrystallization process governs this water induced transformation under PbBr2 rich condition. We find that these post-synthesized 2D perovskite-related material films exhibit excellent stability against humidity and high photoluminescence quantum yield. We believe that our results provide a new synthetic method to generate stable 2D perovskite-related materials that could be applicable for light emitting device applications.

  8. A survey of infrared continuum versus line radiation from metal halide lamps

    International Nuclear Information System (INIS)

    Kato, M; Herd, M T; Lawler, J E

    2008-01-01

    Near-infrared radiation (near-IR) losses from the arcs of six commercial metal halide high intensity discharge (MH-HID) lamps with various power levels and with both Na/Sc and rare earth doses were surveyed in this paper. A radiometrically calibrated Fourier transform infrared spectrometer was used. Lamps with rare earth doses have appreciably better color rendering indices (CRIs) than lamps with Na/Sc doses. The ratios of near-IR continuum emission over near-IR line emission from these six lamps were compared. The near-IR continuum dominates near-IR losses from lamps with rare earth doses and the continuum is significant, but not dominant, from lamps with Na/Sc doses. There was no strong dependence of this ratio on input power or color temperature (T c ). Total near-IR losses were estimated using absolutely calibrated, horizontal irradiance measurements. Estimated total near-IR losses were correlated with CRI. The lamps with rare earth doses yield the best CRIs, but have appreciably higher near-IR losses due primarily to continuum processes. One of these rare earth MH-HID lamps was used in a more detailed study of the microscopic physics of the continuum mechanism (Herd M T and Lawler E 2007 J. Phys. D: Appl. Phys. 40 3386)

  9. Phase space investigation of the lithium amide halides

    Energy Technology Data Exchange (ETDEWEB)

    Davies, Rosalind A. [Hydrogen Storage Chemistry Group, School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Hydrogen and Fuel Cell Group, School of Chemical Engineering, University of Birmingham, Edgbaston B15 2TT (United Kingdom); Hewett, David R.; Korkiakoski, Emma [Hydrogen Storage Chemistry Group, School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Thompson, Stephen P. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX (United Kingdom); Anderson, Paul A., E-mail: p.a.anderson@bham.ac.uk [Hydrogen Storage Chemistry Group, School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2015-10-05

    Highlights: • The lower limits of halide incorporation in lithium amide have been investigated. • The only amide iodide stoichiometry observed was Li{sub 3}(NH{sub 2}){sub 2}I. • Solid solutions were observed in both the amide chloride and amide bromide systems. • A 46% reduction in chloride content resulted in a new phase: Li{sub 7}(NH{sub 2}){sub 6}Cl. • New low-chloride phase maintained improved H{sub 2} desorption properties of Li{sub 4}(NH{sub 2}){sub 3}Cl. - Abstract: An investigation has been carried out into the lower limits of halide incorporation in lithium amide (LiNH{sub 2}). It was found that the lithium amide iodide Li{sub 3}(NH{sub 2}){sub 2}I was unable to accommodate any variation in stoichiometry. In contrast, some variation in stoichiometry was accommodated in Li{sub 7}(NH{sub 2}){sub 6}Br, as shown by a decrease in unit cell volume when the bromide content was reduced. The amide chloride Li{sub 4}(NH{sub 2}){sub 3}Cl was found to adopt either a rhombohedral or a cubic structure depending on the reaction conditions. Reduction in chloride content generally resulted in a mixture of phases, but a new rhombohedral phase with the stoichiometry Li{sub 7}(NH{sub 2}){sub 6}Cl was observed. In comparison to LiNH{sub 2}, this new low-chloride phase exhibited similar improved hydrogen desorption properties as Li{sub 4}(NH{sub 2}){sub 3}Cl but with a much reduced weight penalty through addition of chloride. Attempts to dope lithium amide with fluoride ions have so far proved unsuccessful.

  10. Climate, soil texture, and soil types affect the contributions of fine-fraction-stabilized carbon to total soil organic carbon in different land uses across China.

    Science.gov (United States)

    Cai, Andong; Feng, Wenting; Zhang, Wenju; Xu, Minggang

    2016-05-01

    Mineral-associated organic carbon (MOC), that is stabilized by fine soil particles (i.e., silt plus clay, organic carbon (SOC) persistence and sequestration, due to its large contribution to total SOC (TSOC) and long turnover time. Our objectives were to investigate how climate, soil type, soil texture, and agricultural managements affect MOC contributions to TSOC in China. We created a dataset from 103 published papers, including 1106 data points pairing MOC and TSOC across three major land use types: cropland, grassland, and forest. Overall, the MOC/TSOC ratio ranged from 0.27 to 0.80 and varied significantly among soil groups in cropland, grassland, and forest. Croplands and forest exhibited significantly higher median MOC/TSOC ratios than in grassland. Moreover, forest and grassland soils in temperate regions had higher MOC/TSOC ratios than in subtropical regions. Furthermore, the MOC/TSOC ratio was much higher in ultisol, compared with the other soil types. Both the MOC content and MOC/TSOC ratio were positively correlated with the amount of fine fraction (silt plus clay) in soil, highlighting the importance of soil texture in stabilizing organic carbon across various climate zones. In cropland, different fertilization practices and land uses (e.g., upland, paddy, and upland-paddy rotation) significantly altered MOC/TSOC ratios, but not in cropping systems (e.g., mono- and double-cropping) characterized by climatic differences. This study demonstrates that the MOC/TSOC ratio is mainly driven by soil texture, soil types, and related climate and land uses, and thus the variations in MOC/TSOC ratios should be taken into account when quantitatively estimating soil C sequestration potential of silt plus clay particles on a large scale. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Dehalogenation of aromatic halides by polyaniline/zero-valent iron composite nanofiber: Kinetics and mechanisms

    CSIR Research Space (South Africa)

    Giri, S

    2016-03-01

    Full Text Available Dehalogenation of aryl halides was demonstrated using polyaniline/zero valent iron composite nanofiber (termed as PANI/Fe0) as a cheap, efficient and environmentally friendly heterogeneous catalyst. The catalyst was prepared via rapid mixing...

  12. The Role of Surface Tension in the Crystallization of Metal Halide Perovskites

    KAUST Repository

    Zhumekenov, Ayan A.; Burlakov, Victor M.; Saidaminov, Makhsud I.; Alofi, Abdulilah; Haque, Mohammed; Turedi, Bekir; Davaasuren, Bambar; Dursun, Ibrahim; Cho, Nam Chul; El-Zohry, Ahmed M.; de Bastiani, Michele; Giugni, Andrea; Torre, Bruno; Di Fabrizio, Enzo M.; Mohammed, Omar F.; Rothenberger, Alexander; Wu, Tao; Goriely, Alain; Bakr, Osman

    2017-01-01

    The exciting intrinsic properties discovered in single crystals of metal halide perovskites still await their translation into optoelectronic devices. The poor understanding and control of the crystallization process of these materials are current

  13. NEW THIO S2- ADDUCTS WITH ANTIMONY (III AND V HALIDE: SYNTHESIS AND INFRARED STUDY

    Directory of Open Access Journals (Sweden)

    HASSAN ALLOUCH

    2013-12-01

    Full Text Available Five new S2- adducts with SbIII and SbV halides have been synthesized and studied by infrared. Discrete structures have been suggested, the environment around the antimony being tetrahedral, trigonal bipyramidal or octahedral.

  14. Growth and Characterization of PDMS-Stamped Halide Perovskite Single Microcrystals

    NARCIS (Netherlands)

    Khoram, P.; Brittman, S.; Dzik, W.I.; Reek, J.N.H.; Garneett, E.C.

    2016-01-01

    Recently, halide perovskites have attracted considerable attention for optoelectronic applications, but further progress in this field requires a thorough understanding of the fundamental properties of these materials. Studying perovskites in their single-crystalline form provides a model system for

  15. Non-hydrolytic metal oxide films for perovskite halide overcoating and stabilization

    Science.gov (United States)

    Martinson, Alex B.; Kim, In Soo

    2017-09-26

    A method of protecting a perovskite halide film from moisture and temperature includes positioning the perovskite halide film in a chamber. The chamber is maintained at a temperature of less than 200 degrees Celsius. An organo-metal compound is inserted into the chamber. A non-hydrolytic oxygen source is subsequently inserted into the chamber. The inserting of the organo-metal compound and subsequent inserting of the non-hydrolytic oxygen source into the chamber is repeated for a predetermined number of cycles. The non-hydrolytic oxygen source and the organo-metal compound interact in the chamber to deposit a non-hydrolytic metal oxide film on perovskite halide film. The non-hydrolytic metal oxide film protects the perovskite halide film from relative humidity of greater than 35% and a temperature of greater than 150 degrees Celsius, respectively.

  16. The relationship of metals, bifenthrin, physical habitat metrics, grain size, total organic carbon, dissolved oxygen and conductivity to Hyalella sp. abundance in urban California streams.

    Science.gov (United States)

    Hall, Lenwood W; Anderson, Ronald D

    2013-01-01

    The objectives of this study were to determine the relationship between Hyalella sp. abundance in four urban California streams and the following parameters: (1) 8 bulk metals (As, Cd, Cr, Cu, Pb, Hg, Ni, and Zn) and their associated sediment Threshold Effect Levels (TELs); (2) bifenthrin sediment concentrations; (3) 10 habitat metrics and total score; (4) grain size (% sand, silt and clay); (5) Total Organic Carbon (TOC); (6) dissolved oxygen; and (7) conductivity. California stream data used for this study were collected from Kirker Creek (2006 and 2007), Pleasant Grove Creek (2006, 2007 and 2008), Salinas streams (2009 and 2010) and Arcade Creek (2009 and 2010). Hyalella abundance in the four California streams generally declined when metals concentrations were elevated beyond the TELs. There was also a statistically significant negative relationship between Hyalella abundance and % silt for these 4 California streams as Hyalella were generally not present in silt areas. No statistically significant relationships were reported between Hyalella abundance and metals concentrations, bifenthrin concentrations, habitat metrics, % sand, % clay, TOC, dissolved oxygen and conductivity. The results from this study highlight the complexity of assessing which factors are responsible for determining the abundance of amphipods, such as Hyalella sp., in the natural environment.

  17. Total protein

    Science.gov (United States)

    ... page: //medlineplus.gov/ency/article/003483.htm Total protein To use the sharing features on this page, please enable JavaScript. The total protein test measures the total amount of two classes ...

  18. A comparative study of Cu, Ag and Au doped CeO{sub 2} in the total oxidation of volatile organic compounds (VOCs)

    Energy Technology Data Exchange (ETDEWEB)

    Aboukaïs, Antoine, E-mail: aboukais@univ-littoral.fr [Unité de Chimie Environnementale et Interactions sur le Vivant EA 4492, ULCO, Equipe de Catalyse-UCEIV, MREI, 59140, Dunkerque (France); Skaf, Mira, E-mail: miraskaf@hotmail.com [Unité de Chimie Environnementale et Interactions sur le Vivant EA 4492, ULCO, Equipe de Catalyse-UCEIV, MREI, 59140, Dunkerque (France); Department of Chemistry, Faculty of Sciences, University of Balamand, P.O. Box 100, Deir El Balamand, Kelhat-Tripoli (Lebanon); Hany, Sara, E-mail: sarahani@hotmail.com [Unité de Chimie Environnementale et Interactions sur le Vivant EA 4492, ULCO, Equipe de Catalyse-UCEIV, MREI, 59140, Dunkerque (France); Cousin, Renaud, E-mail: Renaud.Cousin@univ-littoral.fr [Unité de Chimie Environnementale et Interactions sur le Vivant EA 4492, ULCO, Equipe de Catalyse-UCEIV, MREI, 59140, Dunkerque (France); Aouad, Samer, E-mail: Samer.Aouad@balamand.edu.lb [Department of Chemistry, Faculty of Sciences, University of Balamand, P.O. Box 100, Deir El Balamand, Kelhat-Tripoli (Lebanon); Labaki, Madona, E-mail: mlabaki@ul.edu.lb [Laboratory of Physical Chemistry of Materials (LCPM)/PR2N, Faculty of Sciences, Lebanese University, Fanar, PO Box 90656, Jdeidet El Metn (Lebanon); Abi-Aad, Edmond, E-mail: abiaad@univ-littoral.fr [Unité de Chimie Environnementale et Interactions sur le Vivant EA 4492, ULCO, Equipe de Catalyse-UCEIV, MREI, 59140, Dunkerque (France)

    2016-07-01

    Total oxidation of two Volatile Organic Compounds (VOCs), propylene and toluene, was investigated over M/CeO{sub 2} catalysts, where M is a metal from IB group (i.e. Au, Ag, Cu), prepared by two different methods: the conventional wet impregnation and the deposition-precipitation. The catalysts have been characterized by means of total surface area (BET), X-ray diffraction (XRD), electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy (XPS), diffuse reflectance ultra-violet-visible spectroscopy (DR-UV/Vis), and temperature-programmed reduction (TPR), in order to explain the differences observed in their catalytic activity towards the studied reactions. By comparing the two different preparation methods, the presence of metal in high oxidation state for gold and silver, and the presence of clusters for copper were the main factors responsible for the high catalytic activity. This latter was also found to be related, when comparing the different IB metals, to the values of the oxidation/reduction potential of the redox couples of the different metals. - Highlights: • IB metals (Au, Ag and Cu) were supported on ceria (CeO{sub 2}) by two different methods. • The solids were tested as catalysts for total oxidation of propylene and toluene. • The deposition-precipitation is better for Au whereas for Ag and Cu it is the impregnation. • High oxidation states of gold and silver and clusters of copper enhanced catalytic behavior. • Catalytic activity is linked to the oxidation/reduction potential of the redox IB couples.

  19. A comparative study of Cu, Ag and Au doped CeO_2 in the total oxidation of volatile organic compounds (VOCs)

    International Nuclear Information System (INIS)

    Aboukaïs, Antoine; Skaf, Mira; Hany, Sara; Cousin, Renaud; Aouad, Samer; Labaki, Madona; Abi-Aad, Edmond

    2016-01-01

    Total oxidation of two Volatile Organic Compounds (VOCs), propylene and toluene, was investigated over M/CeO_2 catalysts, where M is a metal from IB group (i.e. Au, Ag, Cu), prepared by two different methods: the conventional wet impregnation and the deposition-precipitation. The catalysts have been characterized by means of total surface area (BET), X-ray diffraction (XRD), electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy (XPS), diffuse reflectance ultra-violet-visible spectroscopy (DR-UV/Vis), and temperature-programmed reduction (TPR), in order to explain the differences observed in their catalytic activity towards the studied reactions. By comparing the two different preparation methods, the presence of metal in high oxidation state for gold and silver, and the presence of clusters for copper were the main factors responsible for the high catalytic activity. This latter was also found to be related, when comparing the different IB metals, to the values of the oxidation/reduction potential of the redox couples of the different metals. - Highlights: • IB metals (Au, Ag and Cu) were supported on ceria (CeO_2) by two different methods. • The solids were tested as catalysts for total oxidation of propylene and toluene. • The deposition-precipitation is better for Au whereas for Ag and Cu it is the impregnation. • High oxidation states of gold and silver and clusters of copper enhanced catalytic behavior. • Catalytic activity is linked to the oxidation/reduction potential of the redox IB couples.

  20. Vertical distribution of soil extractable organic C and N contents and total C and N stocks in 78-year-old tree plantations in subtropical Australia.

    Science.gov (United States)

    Zhou, Xiaoqi; Dong, Haibo; Lan, Zhongming; Bacon, Gary; Hao, Yanbin; Chen, Chengrong

    2017-10-01

    Few studies have focused on the effects of long-term forest plantations on the soil profile of carbon (C) and nitrogen (N) stocks. In this study, we selected 78-year-old tree plantations that included three coniferous tree species (i.e., slash pine, hoop pine and kauri pine) and a Eucalyptus species in subtropical Australia. We measured soil extractable organic C (EOC) and N (EON) contents and total C and N stocks under different tree species on the forest floor and along a soil profile to 100 cm depth. The results showed that Eucalyptus had significantly higher soil EOC contents (3.3 Mg ha -1 ) than the other tree species (EOC of 1.9-2.3 Mg ha -1 ) and had significantly higher EON (156 kg ha -1 ) contents than slash pine (107 kg ha -1 ). Eucalyptus had significantly higher soil C (58.9 Mg ha -1 ) and N (2.03 Mg ha -1 ) stocks than the other tree species (22.3-27.6 Mg C ha -1 and 0.71-1.23 Mg N ha -1 ) at 0-100 cm depth. There were no differences in soil C stocks at the 0-100 cm depth among the coniferous tree species. Forest floor C stocks had stronger effects on mineral soil total N stocks than fine root biomass, whereas fine root biomass exerted stronger effects on soil total C stocks at the 0-100 cm depth than forest floor C and N stocks. Our results addressed large differences in soil C and N stocks under different tree species, which can provide useful information for local forest management practices in this region.

  1. An initial SPARROW model of land use and in-stream controls on total organic carbon in streams of the conterminous United States

    Science.gov (United States)

    Shih, Jhih-Shyang; Alexander, Richard B.; Smith, Richard A.; Boyer, Elizabeth W.; Shwarz, Grogory E.; Chung, Susie

    2010-01-01

    Watersheds play many important roles in the carbon cycle: (1) they are a site for both terrestrial and aquatic carbon dioxide (CO2) removal through photosynthesis; (2) they transport living and decomposing organic carbon in streams and groundwater; and (3) they store organic carbon for widely varying lengths of time as a function of many biogeochemical factors. Using the U.S. Geological Survey (USGS) Spatially Referenced Regression on Watershed Attributes (SPARROW) model, along with long-term monitoring data on total organic carbon (TOC), this research quantitatively estimates the sources, transport, and fate of the long-term mean annual load of TOC in streams of the conterminous United States. The model simulations use surrogate measures of the major terrestrial and aquatic sources of organic carbon to estimate the long-term mean annual load of TOC in streams. The estimated carbon sources in the model are associated with four land uses (urban, cultivated, forest, and wetlands) and autochthonous fixation of carbon (stream photosynthesis). Stream photosynthesis is determined by reach-level application of an empirical model of stream chlorophyll based on total phosphorus concentration, and a mechanistic model of photosynthetic rate based on chlorophyll, average daily solar irradiance, water column light attenuation, and reach dimensions. It was found that the estimate of in-stream photosynthesis is a major contributor to the mean annual TOC load per unit of drainage area (that is, yield) in large streams, with a median share of about 60 percent of the total mean annual carbon load in streams with mean flows above 500 cubic feet per second. The interquartile range of the model predictions of TOC from in-stream photosynthesis is from 0.1 to 0.4 grams (g) carbon (C) per square meter (m-2) per day (day-1) for the approximately 62,000 stream reaches in the continental United States, which compares favorably with the reported literature range for net carbon fixation by

  2. Solution enthalpies of alkali metal halides in water and heavy water mixtures with dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Egorov, G.I.

    1994-01-01

    Solution enthalpies of CsF, LiCl, NaI, CsI and some other halides of alkali metals and tetrabutylammonium have been measured by the method of calorimetry. Standard solution enthalpies of all alkali metals (except rubidium) halides in water and heavy water mixtures with dimethylsulfoxide at 298.15 K have been calculated. Isotopic effects in solvation enthalpy of the electrolytes mentioned in aqueous solutions of dimethylsulfoxide have been discussed. 29 refs., 2 figs., 4 tabs

  3. Influence of electrode, buffer gas and control gear on metal halide lamp performance

    International Nuclear Information System (INIS)

    Lamouri, A; Naruka, A; Sulcs, J; Varanasi, C V; Brumleve, T R

    2005-01-01

    In this paper the influence of electrode composition, buffer gas fill pressure and control gear on the performance of metal halide lamps is investigated. It is shown that pure tungsten electrodes improve lumen maintenance and reduce voltage rise over lamp life. An optimum buffer gas fill pressure condition is discovered which allows for reduced electrode erosion during lamp starting as well as under normal operating conditions. Use of electronic control gear is shown to improve the performance of metal halide lamps

  4. The thermo-elastic instability model of melting of alkali halides in the Debye approximation

    Science.gov (United States)

    Owens, Frank J.

    2018-05-01

    The Debye model of lattice vibrations of alkali halides is used to show that there is a temperature below the melting temperature where the vibrational pressure exceeds the electrostatic pressure. The onset temperature of this thermo-elastic instability scales as the melting temperature of NaCl, KCl, and KBr, suggesting its role in the melting of the alkali halides in agreement with a previous more rigorous model.

  5. Broadly tunable metal halide perovskites for solid-state light-emission applications

    OpenAIRE

    Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

    2017-01-01

    The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as broad tunability of bandgap, defect tolerance, high photoluminescence quantum efficiency and high emission color purity (narrow full-width at half maximum). In this review, the photophysical propert...

  6. Metal halides vapor lasers with inner reactor and small active volume.

    Science.gov (United States)

    Shiyanov, D. V.; Sukhanov, V. B.; Evtushenko, G. S.

    2018-04-01

    Investigation of the energy characteristics of copper, manganese, lead halide vapor lasers with inner reactor and small active volume 90 cm3 was made. The optimal operating pulse repetition rates, temperatures, and buffer gas pressure for gas discharge tubes with internal and external electrodes are determined. Under identical pump conditions, such systems are not inferior in their characteristics to standard metal halide vapor lasers. It is shown that the use of a zeolite halogen generator provides lifetime laser operation.

  7. Silver halide photographic material providing an image and an unsharp mask

    International Nuclear Information System (INIS)

    Broadhead, P.; Farnell, G.C.

    1981-01-01

    Desirable edge effects are produced by normal imagewise exposure and processing of a sensitive radiographic film comprising a transparent film support bearing a layer of a direct-positive silver halide emulsion and a layer of a negative silver halide emulsion and wherein the film comprises means to reduce crossover between the two emulsion layers, one of said emulsion layers being adapted to record a primary image and the other being adapted to record an unsharp mask image. (author)

  8. Organics.

    Science.gov (United States)

    Chian, Edward S. K.; DeWalle, Foppe B.

    1978-01-01

    Presents water analysis literature for 1978. This review is concerned with organics, and it covers: (1) detergents and surfactants; (2) aliphatic and aromatic hydrocarbons; (3) pesticides and chlorinated hydrocarbons; and (4) naturally occurring organics. A list of 208 references is also presented. (HM)

  9. Organizers.

    Science.gov (United States)

    Callison, Daniel

    2000-01-01

    Focuses on "organizers," tools or techniques that provide identification and classification along with possible relationships or connections among ideas, concepts, and issues. Discusses David Ausubel's research and ideas concerning advance organizers; the implications of Ausubel's theory to curriculum and teaching; "webbing," a…

  10. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new

  11. Cleaning verification: A five parameter study of a Total Organic Carbon method development and validation for the cleaning assessment of residual detergents in manufacturing equipment.

    Science.gov (United States)

    Li, Xue; Ahmad, Imad A Haidar; Tam, James; Wang, Yan; Dao, Gina; Blasko, Andrei

    2018-02-05

    A Total Organic Carbon (TOC) based analytical method to quantitate trace residues of clean-in-place (CIP) detergents CIP100 ® and CIP200 ® on the surfaces of pharmaceutical manufacturing equipment was developed and validated. Five factors affecting the development and validation of the method were identified: diluent composition, diluent volume, extraction method, location for TOC sample preparation, and oxidant flow rate. Key experimental parameters were optimized to minimize contamination and to improve the sensitivity, recovery, and reliability of the method. The optimized concentration of the phosphoric acid in the swabbing solution was 0.05M, and the optimal volume of the sample solution was 30mL. The swab extraction method was 1min sonication. The use of a clean room, as compared to an isolated lab environment, was not required for method validation. The method was demonstrated to be linear with a correlation coefficient (R) of 0.9999. The average recoveries from stainless steel surfaces at multiple spike levels were >90%. The repeatability and intermediate precision results were ≤5% across the 2.2-6.6ppm range (50-150% of the target maximum carry over, MACO, limit). The method was also shown to be sensitive with a detection limit (DL) of 38ppb and a quantitation limit (QL) of 114ppb. The method validation demonstrated that the developed method is suitable for its intended use. The methodology developed in this study is generally applicable to the cleaning verification of any organic detergents used for the cleaning of pharmaceutical manufacturing equipment made of electropolished stainless steel material. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Highly Controlled Codeposition Rate of Organolead Halide Perovskite by Laser Evaporation Method.

    Science.gov (United States)

    Miyadera, Tetsuhiko; Sugita, Takeshi; Tampo, Hitoshi; Matsubara, Koji; Chikamatsu, Masayuki

    2016-10-05

    Organolead-halide perovskites can be promising materials for next-generation solar cells because of its high power conversion efficiency. The method of precise fabrication is required because both solution-process and vacuum-process fabrication of the perovskite have problems of controllability and reproducibility. Vacuum deposition process was expected to achieve precise control; however, vaporization of amine compound significantly degrades the controllability of deposition rate. Here we achieved the reduction of the vaporization by implementing the laser evaporation system for the codeposition of perovskite. Locally irradiated continuous-wave lasers on the source materials realized the reduced vaporization of CH 3 NH 3 I. The deposition rate was stabilized for several hours by adjusting the duty ratio of modulated laser based on proportional-integral control. Organic-photovoltaic-type perovskite solar cells were fabricated by codeposition of PbI 2 and CH 3 NH 3 I. A power-conversion efficiency of 16.0% with reduced hysteresis was achieved.

  13. Photoinduced, copper-catalyzed alkylation of amides with unactivated secondary alkyl halides at room temperature.

    Science.gov (United States)

    Do, Hien-Quang; Bachman, Shoshana; Bissember, Alex C; Peters, Jonas C; Fu, Gregory C

    2014-02-05

    The development of a mild and general method for the alkylation of amides with relatively unreactive alkyl halides (i.e., poor substrates for SN2 reactions) is an ongoing challenge in organic synthesis. We describe herein a versatile transition-metal-catalyzed approach: in particular, a photoinduced, copper-catalyzed monoalkylation of primary amides. A broad array of alkyl and aryl amides (as well as a lactam and a 2-oxazolidinone) couple with unactivated secondary (and hindered primary) alkyl bromides and iodides using a single set of comparatively simple and mild conditions: inexpensive CuI as the catalyst, no separate added ligand, and C-N bond formation at room temperature. The method is compatible with a variety of functional groups, such as an olefin, a carbamate, a thiophene, and a pyridine, and it has been applied to the synthesis of an opioid receptor antagonist. A range of mechanistic observations, including reactivity and stereochemical studies, are consistent with a coupling pathway that includes photoexcitation of a copper-amidate complex, followed by electron transfer to form an alkyl radical.

  14. Changes in soil organic carbon and total nitrogen in croplands converted to walnut-based agroforestry systems and orchards in southeastern Loess Plateau of China.

    Science.gov (United States)

    Lu, Sen; Meng, Ping; Zhang, Jinsong; Yin, Changjun; Sun, Shiyou

    2015-11-01

    Limited information is available on the effects of agroforestry system practices on soil properties in the Loess Plateau of China. Over the last decade, a vegetation restoration project has been conducted in this area by converting cropland into tree-based agroforestry systems and orchards to combat soil erosion and degradation. The objective of the present study was to determine the effects of land use conversion on soil organic carbon and total nitrogen in southeastern Loess Plateau. The experiment included three treatments: walnut intercropping system (AF), walnut orchard (WO), and traditional cropland (CR). After 7 years of continual management, soil samples were collected at 0-10, 10-30, and 30-50-cm depths for three treatments, and soil organic carbon (SOC) and total nitrogen (TN) were measured. Results showed that compared with the CR and AF treatments, WO treatment decreased both SOC and TN concentrations in the 0-50-cm soil profile. However, similar patterns of SOC and TN concentrations were observed in the AF and CR treatments across the entire profile. The SOC stocks at 0-50-cm depth were 5.42, 5.52, and 4.67 kg m(-2) for CR, AF, and WO treatments, respectively. The calculated TN stocks at 0-50-cm depth were 0.63, 0.62, and 0.57 kg m(-2) for CR, AF, and WO treatments, respectively. This result demonstrated that the stocks of SOC and TN in WO were clearly lower than those of AF and CR and that the walnut-based agroforestry system was more beneficial than walnut monoculture in terms of SOC and TN sequestration. Owing to the short-term intercropping practice, the changes in SOC and TN stocks were slight in AF compared with those in CR. However, a significant decrease in SOC and TN stocks was observed during the conversion of cropland to walnut orchard after 7 years of management. We also found that land use types had no significant effect on soil C/N ratio. These findings demonstrated that intercropping between walnut rows can potentially maintain

  15. Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds

    Directory of Open Access Journals (Sweden)

    Yovani Marrero Ponce

    2003-08-01

    Full Text Available A novel topological approach for obtaining a family of new molecular descriptors is proposed. In this connection, a vector space E (molecular vector space, whose elements are organic molecules, is defined as a “direct sum“ of different ℜi spaces. In this way we can represent molecules having a total of i atoms as elements (vectors of the vector spaces ℜi (i=1, 2, 3,..., n; where n is number of atoms in the molecule. In these spaces the components of the vectors are atomic properties that characterize each kind of atom in particular. The total quadratic indices are based on the calculation of mathematical quadratic forms. These forms are functions of the k-th power of the molecular pseudograph's atom adjacency matrix (M. For simplicity, canonical bases are selected as the quadratic forms' bases. These indices were generalized to “higher analogues“ as number sequences. In addition, this paper also introduces a local approach (local invariant for molecular quadratic indices. This approach is based mainly on the use of a local matrix [Mk(G, FR]. This local matrix is obtained from the k-th power (Mk(G of the atom adjacency matrix M. Mk(G, FR includes the elements of the fragment of interest and those that are connected with it, through paths of length k. Finally, total (and local quadratic indices have been used in QSPR studies of four series of organic compounds. The quantitative models found are significant from a statistical point of view and permit a clear interpretation of the studied properties in terms of the structural features of molecules. External prediction series and cross-validation procedures (leave-one-out and leave-group-out assessed model predictability. The reported method has shown similar results, compared with other topological approaches. The results obtained were the following: a Seven physical properties of 74 normal and branched alkanes (boiling points

  16. Spatial pattern of soil organic carbon and total nitrogen, and analysis of related factors in an agro-pastoral zone in Northern China

    Science.gov (United States)

    Wang, Xuyang; Chen, Yinping; Lian, Jie; Luo, Yongqing; Niu, Yayi; Gong, Xiangwen

    2018-01-01

    The spatial pattern of soil organic carbon (SOC) and total nitrogen (TN) densities plays a profound important role in estimating carbon and nitrogen budgets. Naiman Banner located in northern China was chosen as research site, a total of 332 soil samples were taken in a depth of 100 cm from the low hilly land in the southern part, sandy land in the middle part and an alluvial plain in the northern part of the county. The results showed that SOC and TN density initially decreased and then increased from the north to the south, The highest densities, were generally in the south, with the lowest generally in the middle part. The SOC and TN densities in cropland were significantly greater than those in woodland and grassland in the alluvial plains and for Naiman as a whole. The woodland SOC and TN density were higher than those of grassland in the low hilly land, and higher densities of SOC and TN in grassland than woodland in the sandy land and low hilly land. There were significant differences in SOC and TN densities among the five soil types of Cambisols, Arenosols, Gleysols, Argosols, and Kastanozems. In addition, SOC and TN contents generally decreased with increasing soil depth, but increased below a depth of 40 cm in the Cambisols and became roughly constant at this depth in the Kastanozems. There is considerable potential to sequester carbon and nitrogen in the soil via the conversion of degraded sandy land into woodland and grassland in alluvial plain, and more grassland should be established in sandy land and low hilly land. PMID:29771979

  17. Effects of Moisture and Particle Size on Quantitative Determination of Total Organic Carbon (TOC) in Soils Using Near-Infrared Spectroscopy.

    Science.gov (United States)

    Tamburini, Elena; Vincenzi, Fabio; Costa, Stefania; Mantovi, Paolo; Pedrini, Paola; Castaldelli, Giuseppe

    2017-10-17

    Near-Infrared Spectroscopy is a cost-effective and environmentally friendly technique that could represent an alternative to conventional soil analysis methods, including total organic carbon (TOC). Soil fertility and quality are usually measured by traditional methods that involve the use of hazardous and strong chemicals. The effects of physical soil characteristics, such as moisture content and particle size, on spectral signals could be of great interest in order to understand and optimize prediction capability and set up a robust and reliable calibration model, with the future perspective of being applied in the field. Spectra of 46 soil samples were collected. Soil samples were divided into three data sets: unprocessed, only dried and dried, ground and sieved, in order to evaluate the effects of moisture and particle size on spectral signals. Both separate and combined normalization methods including standard normal variate (SNV), multiplicative scatter correction (MSC) and normalization by closure (NCL), as well as smoothing using first and second derivatives (DV1 and DV2), were applied to a total of seven cases. Pretreatments for model optimization were designed and compared for each data set. The best combination of pretreatments was achieved by applying SNV and DV2 on partial least squares (PLS) modelling. There were no significant differences between the predictions using the three different data sets ( p TOC was carried out on 16 unknown soil samples to evaluate the predictive ability of the final combined calibration model. Hence, we demonstrate that sample preprocessing has minor influence on the quality of near infrared spectroscopy (NIR) predictions, laying the ground for a direct and fast in situ application of the method. Data can be acquired outside the laboratory since the method is simple and does not need more than a simple band ratio of the spectra.

  18. Preliminary vitrinite and bitumen reflectance, total organic carbon, and pyrolysis data for samples from Upper and Lower Cretaceous strata, Maverick Basin, south Texas

    Science.gov (United States)

    Hackley, Paul C.; Dennen, Kristin O.; Gesserman, Rachel M.; Ridgley, Jennie L.

    2009-01-01

    The Lower Cretaceous Pearsall Formation, a regionally occurring limestone and shale interval of 500-600-ft maximum thickness (Rose, 1986), is being evaluated as part of an ongoing U.S. Geological Survey (USGS) assessment of undiscovered hydrocarbon resources in onshore Lower Cretaceous strata of the northern Gulf of Mexico. The purpose of this report is to release preliminary vitrinite and bitumen reflectance, total organic carbon, and pyrolysis data for Pearsall Formation, Glen Rose Formation, Hosston Formation, Austin Group, and Eagle Ford Group samples from the Maverick Basin in south Texas in order to aid in the characterization of these strata in this area. The preliminary nature of this report and the data contained herein reflect that the assessment and characterization of these samples is a work currently in progress. Pearsall Formation subdivisions are, in ascending stratigraphic order, the Pine Island Shale, James Limestone, and Bexar Shale Members (Loucks, 2002). The Lower Cretaceous Glen Rose Formation is also part of the USGS Lower Cretaceous assessment and produces oil in the Maverick Basin (Loucks and Kerans, 2003). The Hosston Formation was assessed by the USGS for undiscovered oil and gas resources in 2006 (Dyman and Condon, 2006), but not in south Texas. The Upper Cretaceous Austin Group is being assessed as part of the USGS assessment of undiscovered hydrocarbon resources in the Upper Cretaceous strata of the northern Gulf of Mexico and, along with the Upper Cretaceous Eagle Ford Group, is considered to be an important source rock in the Smackover-Austin-Eagleford Total Petroleum System (Condon and Dyman, 2006). Both the Austin Group and the Eagle Ford Group are present in the Maverick Basin in south Texas (Rose, 1986).

  19. Effect of halide impregnation on elemental mercury removal of activated carbons

    Energy Technology Data Exchange (ETDEWEB)

    Yim, Yoon Ji; Park, Soo Jin [Dept. of Chemistry, Inha University, Incheon (Korea, Republic of)

    2017-02-15

    Activated carbons (ACs) were impregnated with potassium halides (KX) to enhance the removal efficiency of elemental mercury (Hg{sup 0}). In this work, the impregnation effect of potassium bromide (KBr) and potassium iodine (KI) were investigated. The surface properties of KX-ACs were determined by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). The pore structures and total pore volumes of the KX-ACs were analyzed using the N{sub 2} /77 K adsorption isotherms. The Hg{sup 0} removal efficiency of KBr-ACs and KI-ACs was studied under simulated flue gas conditions. The effects of KI and KBr loading, adsorption temperature, and flue gas components on Hg{sup 0} removal efficiency were also investigated. The results showed that the Hg{sup 0} removal efficiency of the ACs was significantly enhanced by KI or KBr impregnation, and KI-ACs showed higher Hg{sup 0} removal efficiency than KBr-ACs under the same conditions. An increase in KI or KBr loading and higher adsorption temperatures improved the Hg{sup 0} removal efficiency, indicating that chemisorption occurred due to the reaction between X− and Hg{sup 0}. The lower extent of Hg{sup 0} removal exhibited by the KBr-ACs than by the KI-ACs was due to the difficulty of Br{sub 2} formation on the surfaces.

  20. Revealing the ultrafast charge carrier dynamics in organo metal halide perovskite solar cell materials using time resolved THz spectroscopy

    Science.gov (United States)

    Ponseca, C. S., Jr.; Sundström, V.

    2016-03-01

    Ultrafast charge carrier dynamics in organo metal halide perovskite has been probed using time resolved terahertz (THz) spectroscopy (TRTS). Current literature on its early time characteristics is unanimous: sub-ps charge carrier generation, highly mobile charges and very slow recombination rationalizing the exceptionally high power conversion efficiency for a solution processed solar cell material. Electron injection from MAPbI3 to nanoparticles (NP) of TiO2 is found to be sub-ps while Al2O3 NPs do not alter charge dynamics. Charge transfer to organic electrodes, Spiro-OMeTAD and PCBM, is sub-ps and few hundreds of ps respectively, which is influenced by the alignment of energy bands. It is surmised that minimizing defects/trap states is key in optimizing charge carrier extraction from these materials.

  1. Prediction of total organic carbon content in shale reservoir based on a new integrated hybrid neural network and conventional well logging curves

    Science.gov (United States)

    Zhu, Linqi; Zhang, Chong; Zhang, Chaomo; Wei, Yang; Zhou, Xueqing; Cheng, Yuan; Huang, Yuyang; Zhang, Le

    2018-06-01

    There is increasing interest in shale gas reservoirs due to their abundant reserves. As a key evaluation criterion, the total organic carbon content (TOC) of the reservoirs can reflect its hydrocarbon generation potential. The existing TOC calculation model is not very accurate and there is still the possibility for improvement. In this paper, an integrated hybrid neural network (IHNN) model is proposed for predicting the TOC. This is based on the fact that the TOC information on the low TOC reservoir, where the TOC is easy to evaluate, comes from a prediction problem, which is the inherent problem of the existing algorithm. By comparing the prediction models established in 132 rock samples in the shale gas reservoir within the Jiaoshiba area, it can be seen that the accuracy of the proposed IHNN model is much higher than that of the other prediction models. The mean square error of the samples, which were not joined to the established models, was reduced from 0.586 to 0.442. The results show that TOC prediction is easier after logging prediction has been improved. Furthermore, this paper puts forward the next research direction of the prediction model. The IHNN algorithm can help evaluate the TOC of a shale gas reservoir.

  2. Evaluating the Role of Total Organic Carbon in Predicting the Treatment Efficacy of Biosand Filters for the Removal of Vibrio cholerae in Drinking Water During Startup.

    Science.gov (United States)

    Danley-Thomson, Ashley A; Huang, Ellen C; Worley-Morse, Thomas; Gunsch, Claudia K

    2018-05-09

    In biosand filters (BSF), treatment is largely driven by the development of a biolayer (schmutzdecke) which establishes itself during the startup phase. In the present study, the effect of changing influent total organic carbon (TOC) loading on the removal efficiency of Vibrio cholerae in laboratory-operated BSFs was quantified. BSFs were charged with high, medium or low TOC influents and removal efficacy and schmutzdecke composition was monitored over two months. The highest V. cholerae removal efficiencies were observed in the BSF receiving the lowest TOC. Schmutzdecke composition was found to be influenced by influent TOC, in terms of microbial community structure and amount of extracellular polymeric substance (EPS). Physical/chemical attachment was shown to be important during startup. The BSF receiving influent water with lower TOC had a higher attachment coefficient than the BSF receiving high TOC water, suggesting more physical/chemical treatment in the lower TOC BSF. The high TOC BSF had more EPS than did the biofilm from the low TOC BSF, suggesting that schmutzdecke effects may be more significant at high TOC. Overall, this study confirms that influent water characteristics will affect BSF treatment efficacy of V. cholerae especially during the startup phase. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  3. Determination of descriptors for polycyclic aromatic hydrocarbons and related compounds by chromatographic methods and liquid-liquid partition in totally organic biphasic systems.

    Science.gov (United States)

    Ariyasena, Thiloka C; Poole, Colin F

    2014-09-26

    Retention factors on several columns and at various temperatures using gas chromatography and from reversed-phase liquid chromatography on a SunFire C18 column with various mobile phase compositions containing acetonitrile, methanol and tetrahydrofuran as strength adjusting solvents are combined with liquid-liquid partition coefficients in totally organic biphasic systems to calculate descriptors for 23 polycyclic aromatic hydrocarbons and eighteen related compounds of environmental interest. The use of a consistent protocol for the above measurements provides descriptors that are more self consistent for the estimation of physicochemical properties (octanol-water, air-octanol, air-water, aqueous solubility, and subcooled liquid vapor pressure). The descriptor in this report tend to have smaller values for the L and E descriptors and random differences in the B and S descriptors compared with literature sources. A simple atom fragment constant model is proposed for the estimation of descriptors from structure for polycyclic aromatic hydrocarbons. The new descriptors show no bias in the prediction of the air-water partition coefficient for polycyclic aromatic hydrocarbons unlike the literature values. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Organizations

    DEFF Research Database (Denmark)

    Hatch, Mary Jo

    and considers many more. Mary Jo Hatch introduces the concept of organizations by presenting definitions and ideas drawn from the a variety of subject areas including the physical sciences, economics, sociology, psychology, anthropology, literature, and the visual and performing arts. Drawing on examples from......Most of us recognize that organizations are everywhere. You meet them on every street corner in the form of families and shops, study in them, work for them, buy from them, pay taxes to them. But have you given much thought to where they came from, what they are today, and what they might become...... prehistory and everyday life, from the animal kingdom as well as from business, government, and other formal organizations, Hatch provides a lively and thought provoking introduction to the process of organization....

  5. Magnetic properties of nickel halide hydrates including deuteration effects

    Energy Technology Data Exchange (ETDEWEB)

    DeFotis, G.C., E-mail: gxdefo@wm.edu [Chemistry Department, College of William & Mary, Williamsburg, VA, 23187 United States (United States); Van Dongen, M.J.; Hampton, A.S.; Komatsu, C.H.; Trowell, K.T.; Havas, K.C.; Davis, C.M.; DeSanto, C.L. [Chemistry Department, College of William & Mary, Williamsburg, VA, 23187 United States (United States); Hays, K.; Wagner, M.J. [Chemistry Department, George Washington University, Washington, DC, 20052 United States (United States)

    2017-01-01

    Magnetic measurements on variously hydrated nickel chlorides and bromides, including deuterated forms, are reported. Results include locations and sizes of susceptibility maxima, T{sub max} and χ{sub max}, ordering temperatures T{sub c}, Curie constants and Weiss theta in the paramagnetic regime, and primary and secondary exchange interactions from analysis of low temperature data. For the latter a 2D Heisenberg model augmented by interlayer exchange in a mean-field approximation is applied. Magnetization data to 16 kG as a function of temperature show curvature and hysteresis characteristics quite system dependent. For four materials high field magnetization data to 70 kG at 2.00 K are also obtained. Comparison is made with theoretical relations for spin-1 models. Trends are apparent, primarily that T{sub max} of each bromide hydrate is less than for the corresponding chloride, and that for a given halide nD{sub 2}O (n=1 or 2) deuterates exhibit lesser T{sub max} than do nH{sub 2}O hydrates. A monoclinic unit cell determined from powder X-ray diffraction data on NiBr{sub 2}·2D{sub 2}O is different from and slightly larger than that of NiBr{sub 2}·2H{sub 2}O. This provides some rationale for the difference in magnetic properties between these. - Highlights: • The magnetism of Ni(II) chloride and bromide dihydrates and monohydrates is studied. • Effects of replacing H{sub 2}O by D{sub 2}O are examined for both hydration states and both halides. • Exchange interactions in bromides are weaker than in corresponding chlorides. • Exchange interactions are weaker in D{sub 2}O than in corresponding H{sub 2}O containing systems. • The unit cell of NiBr{sub 2}·2D{sub 2}O is different from and slightly larger than that of NiBr{sub 2}·2H{sub 2}O.

  6. Total algorithms

    NARCIS (Netherlands)

    Tel, G.

    We define the notion of total algorithms for networks of processes. A total algorithm enforces that a "decision" is taken by a subset of the processes, and that participation of all processes is required to reach this decision. Total algorithms are an important building block in the design of

  7. Silver nanoparticles from silver halide photography to plasmonics

    CERN Document Server

    Tani, Tadaaki

    2015-01-01

    This book provides systematic knowledge and ideas on nanoparticles of Ag and related materials. While Ag and metal nanoparticles are essential for plasmonics, silver halide (AgX) photography relies to a great extent on nanoparticles of Ag and AgX which have the same crystal structure and have been studied extensively for many years. This book has been written to combine the knowledge of nanoparticles of Ag and related materials in plasmonics and AgX photography in order to provide new ideas for metal nanoparticles in plasmonics. Chapters 1–3 of this book describe the structure and formation of nanoparticles of Ag and related materials. Systematic descriptions of the structure and preparation of Ag, Au, and noble-metal nanoparticles for plasmonics are followed by and related to those of nanoparticles of Ag and AgX in AgX photography. Knowledge of the structure and preparation of Ag and AgX nanoparticles in photography covers nanoparticles with widely varying sizes, shapes, and structures, and formation proce...

  8. Modelling current transfer to cathodes in metal halide plasmas

    International Nuclear Information System (INIS)

    Benilov, M S; Cunha, M D; Naidis, G V

    2005-01-01

    This work is concerned with investigation of the main features of current transfer to cathodes under conditions characteristic of metal halide (MH) lamps. It is found that the presence of MHs in the gas phase results in a small decrease of the cathode surface temperature and of the near-cathode voltage drop in the diffuse mode of current transfer; the range of stability of the diffuse mode expands. Effects caused by a variation of the work function of the cathode surface owing to formation of a monolayer of alkali metal atoms on the surface are studied for particular cases where the monolayer is composed of sodium or caesium. It is found that the formation of the sodium monolayer affects the diffuse mode of current transfer only moderately and in the same direction that the presence of metal atoms in the gas phase affects it. Formation of the caesium monolayer produces a dramatic effect: the cathode surface temperature decreases very strongly, the diffuse-mode current-voltage characteristic becomes N-S-shaped

  9. A new fundamental hydrogen defect in alkali halides

    International Nuclear Information System (INIS)

    Morato, S.P.; Luety, F.

    1978-01-01

    Atom hydrogen in neutral (H 0 ) and negative (H - ) form on substitutional and interstitial lattice sites gives rise to well characterized model defects in alkali-halides (U,U 1 ,U 2 ,U 3 centers), which have been extensively investigated in the past. When studying the photo-decomposition of OH - defects, a new configuration of atomic charged hidrogen was discovered, which can be produced in large quantities in the crystal and is apparently not connected to any other impurity. This new hidrogen defect does not show any pronounced electronic absorption, but displays a single sharp local mode band (at 1114cm -1 in KCl) with a perfect isotope shift. The defect can be produced by various UV or X-ray techniques in crystais doped with OH - , Sh - or H - defects. A detailed study of its formation kinetics at low temperature shows that it is primarily formed by the reaction of a mobile CI 2 - crowdion (H-center) with hidrogen defects [pt

  10. Isotope effects in aqueous solvation of simple halides

    Science.gov (United States)

    Videla, Pablo E.; Rossky, Peter J.; Laria, D.

    2018-03-01

    We present a path-integral-molecular-dynamics study of the thermodynamic stabilities of DOH⋯ X- and HOD⋯ X- (X = F, Cl, Br, I) coordination in aqueous solutions at ambient conditions. In agreement with experimental evidence, our results for the F- case reveal a clear stabilization of the latter motif, whereas, in the rest of the halogen series, the former articulation prevails. The DOH⋯ X- preference becomes more marked the larger the size of the ionic solute. A physical interpretation of these tendencies is provided in terms of an analysis of the global quantum kinetic energies of the light atoms and their geometrical decomposition. The stabilization of the alternative ionic coordination geometries is the result of a delicate balance arising from quantum spatial dispersions along parallel and perpendicular directions with respect to the relevant O-H⋯X- axis, as the strength of the water-halide H-bond varies. This interpretation is corroborated by a complementary analysis performed on the different spectroscopic signals of the corresponding IR spectra.

  11. Cerium doped lanthanum halides: fast scintillators for medical imaging

    International Nuclear Information System (INIS)

    Selles, O.

    2006-12-01

    This work is dedicated to two recently discovered scintillating crystals: cerium doped lanthanum halides (LaCl 3 :Ce 3+ and LaBr 3 :Ce 3+ ).These scintillators exhibit interesting properties for gamma detection, more particularly in the field of medical imaging: a short decay time, a high light yield and an excellent energy resolution. The strong hygroscopicity of these materials requires adapting the usual experimental methods for determining physico-chemical properties. Once determined, these can be used for the development of the industrial manufacturing process of the crystals. A proper comprehension of the scintillation mechanism and of the effect of defects within the material lead to new possible ways for optimizing the scintillator performance. Therefore, different techniques are used (EPR, radioluminescence, laser excitation, thermally stimulated luminescence). Alongside Ce 3+ ions, self-trapped excitons are involved in the scintillation mechanism. Their nature and their role are detailed. The knowledge of the different processes involved in the scintillation mechanism leads to the prediction of the effect of temperature and doping level on the performance of the scintillator. A mechanism is proposed to explain the thermally stimulated luminescence processes that cause slow components in the light emission and a loss of light yield. Eventually the study of afterglow reveals a charge transfer to deep traps involved in the high temperature thermally stimulated luminescence. (author)

  12. Transmission electron microscopy of weakly deformed alkali halide crystals

    International Nuclear Information System (INIS)

    Strunk, H.

    1976-01-01

    Transmission electron microscopy (TEM) is applied to the investigation of the dislocation arrangement of [001]-orientated alkali halide crystals (orientation four quadruple slip) deformed into stage I of the work-hardenig curve. The investigations pertain mainly to NaCl - (0.1-1) mole-% NaBr crystals, because these exhibit a relatively long stage I. The time available for observing the specimens is limited by the ionization radiation damage occuring in the microscope. An optimum reduction of the damage rate is achieved by a combination of several experimental techniques that are briefly outlined. The crystals deform essentially in single glide. According to the observations, stage I deformation of pure and weakly alloyed NaCl crystals is characterized by the glide of screw dislocations, which bow out between jogs and drag dislocation dipoles behind them. In crystals with >= 0.5 mole-% NaBr this process is not observed to occur. This is attributed to the increased importance of solid solution hardening. (orig.) [de

  13. Strong Carrier–Phonon Coupling in Lead Halide Perovskite Nanocrystals

    Science.gov (United States)

    2017-01-01

    We highlight the importance of carrier–phonon coupling in inorganic lead halide perovskite nanocrystals. The low-temperature photoluminescence (PL) spectrum of CsPbBr3 has been investigated under a nonresonant and a nonstandard, quasi-resonant excitation scheme, and phonon replicas of the main PL band have been identified as due to the Fröhlich interaction. The energy of longitudinal optical (LO) phonons has been determined from the separation of the zero phonon band and phonon replicas. We reason that the observed LO phonon coupling can only be related to an orthorhombically distorted crystal structure of the perovskite nanocrystals. Additionally, the strength of carrier–phonon coupling has been characterized using the ratio between the intensities of the first phonon replica and the zero-phonon band. PL emission from localized versus delocalized carriers has been identified as the source of the observed discrepancies between the LO phonon energy and phonon coupling strength under quasi-resonant and nonresonant excitation conditions, respectively. PMID:29019652

  14. Quantification of Ionic Diffusion in Lead Halide Perovskite Single Crystals

    KAUST Repository

    Peng, Wei

    2018-05-25

    Lead halide perovskites are mixed electronic/ionic semiconductors that have recently revolutionized the photovoltaics field. The physical characterization of the ionic conductivity has been rather elusive due to the highly intermixing of ionic and electronic current. In this work the synthesis of low defect density monocrystalline MAPbBr3 (MA=Methyl ammonium) solar cells free of hole transport layer (HTL) suppresses the effect of electronic current. Impedance spectroscopy reveals the characteristic signature of ionic diffusion (the Warburg element and transmission line equivalent circuit) and ion accumulation at the MAPbBr3/Au interface. Diffusion coefficients are calculated based on a good correlation between thickness of MAPbBr3 and characteristic diffusion transition frequency. In addition, reactive external interfaces are studied by comparison of polycrystalline MAPbBr3 devices prepared either with or without a HTL. The low frequency response in IS measurements is correlated with the chemical reactivity of moving ions with the external interfaces and diffusion into the HTL.

  15. Total Organic Carbon Distribution and Bacterial Cycling Across A Geostrophic Front In Mediterranean Sea. Implications For The Western Basin Carbon Cycle

    Science.gov (United States)

    Sempere, R.; van Wambeke, F.; Bianchi, M.; Dafner, E.; Lefevre, D.; Bruyant, F.; Prieur, L.

    We investigated the dynamic of the total organic carbon (TOC) pool and the role it played in the carbon cycle during winter 1997-1998 in the Almeria-Oran jet-front (AOF) system resulting from the spreading of Atlantic surface water through the Gibraltar Strait in the Alboran Sea (Southwestern Mediterranean Sea). We determined TOC by using high temperature combustion technique (HTC) and bacterial produc- tion (BP; via [3H] leucine incorporation) during two legs in the frontal area. We also estimated labile TOC (l-TOC) and bacterial growth efficiency (BGE) by performing TOC biodegradation experiments on board during the cruise whereas water column semi-labile (sl-TOC), and refractory-TOC were determined from TOC profile exami- nation. These results are discussed in relation with current velocity measured by using accoustic doppler current profiler (ADCP). Lowest TOC stocks (6330-6853 mmol C m-2) over 0-100 m were measured in the northern side of the geostrophic Jet which is also the highest dynamic area (horizontal speed of 80 cm s-1 in the first 100 m di- rected eastward). Our results indicated variable turnover times of sl-TOC across the Jet-Front system, which might be explained by different coupling of primary produc- tion and bacterial production observed in these areas. We also estimated TOC and sl-TOC transports within the Jet core off the Alboran Sea as well as potential CO2 production through bacterial respiration produced from sl-TOC assimilation by het- erotrophic bacteria.

  16. [Storages and distributed patterns of soil organic carbon and total nitrogen during the succession of artificial sand-binding vegetation in arid desert ecosystem].

    Science.gov (United States)

    Jia, Xiao-Hong; Li, Xin-Rong; Zhou, Yu-Yan; Li, Yuan-Shou

    2012-03-01

    Soil carbon pool acts as the largest one of carbon pools in the terrestrial ecosystem. The storages and distributed patterns of soil organic carbon (SOC) and total nitrogen (TN) evaluated accurately are helpful to predict the feedback between the terrestrial ecosystem and climate changes. Based on the data about bulk density, content of SOC and TN at 0-100 cm soil profile, the density of SOC and TN at the temporal (chronosequence of artificial vegetation) and spatial (vertical) distributed patterns have been estimated. The results indicated that storages of SOC and TN at 0-100 cm depth increased with the chronosequence of artificial vegetation. The storages of SOC and TN showed the same tendency with the succession time of artificial vegetation. Storages of SOC and TN significantly increased at the early stage of banding sand by artificially vegetation ( 25 a). The variation of storages mainly occurred in the 0-20 cm depth. The storages decreased with the soil vertical depth. At the early stage of banding sand, increase in storage included every depth (0-100 cm). Whereas, at the later stage, increase in storage at 0-20 cm depth was main, and increase in the 20-100 cm was inconspicuous. The accumulation of storage at the shallow soil depth was more notability with the succession of artificial vegetation. The distributed pattern of storage in SOC and TN has been confirmed in arid desert regions below 200 mm annual precipitation. This was beneficial to understand the carbon cycle and to predict the feedback relationship between desert ecosystem and climate changes.

  17. Approach for determining the contributions of phytoplankton, colored organic material, and nonalgal particles to the total spectral absorption in marine waters.

    Science.gov (United States)

    Lin, Junfang; Cao, Wenxi; Wang, Guifeng; Hu, Shuibo

    2013-06-20

    Using a data set of 1333 samples, we assess the spectral absorption relationships of different wave bands for phytoplankton (ph) and particles. We find that a nonlinear model (second-order quadratic equations) delivers good performance in describing their spectral characteristics. Based on these spectral relationships, we develop a method for partitioning the total absorption coefficient into the contributions attributable to phytoplankton [a(ph)(λ)], colored dissolved organic material [CDOM; a(CDOM)(λ)], and nonalgal particles [NAP; a(NAP)(λ)]. This method is validated using a data set that contains 550 simultaneous measurements of phytoplankton, CDOM, and NAP from the NASA bio-Optical Marine Algorithm Dataset. We find that our method is highly efficient and robust, with significant accuracy: the relative root-mean-square errors (RMSEs) are 25.96%, 38.30%, and 19.96% for a(ph)(443), a(CDOM)(443), and the CDOM exponential slope, respectively. The performance is still satisfactory when the method is applied to water samples from the northern South China Sea as a regional case. The computed and measured absorption coefficients (167 samples) agree well with the RMSEs, i.e., 18.50%, 32.82%, and 10.21% for a(ph)(443), a(CDOM)(443), and the CDOM exponential slope, respectively. Finally, the partitioning method is applied directly to an independent data set (1160 samples) derived from the Bermuda Bio-Optics Project that contains relatively low absorption values, and we also obtain good inversion accuracy [RMSEs of 32.37%, 32.57%, and 11.52% for a(ph)(443), a(CDOM)(443), and the CDOM exponential slope, respectively]. Our results indicate that this partitioning method delivers satisfactory performance for the retrieval of a(ph), a(CDOM), and a(NAP). Therefore, this may be a useful tool for extracting absorption coefficients from in situ measurements or remotely sensed ocean-color data.

  18. Chemical Effects of Nuclear Recoil in Organic Halide Systems: A New Theoretical Treatment and Experimental Verification of the Theory; Effets Chimiques du Recul Nucleaire dans des Systemes Organiques Halogenes: Nouveau Traitement Theorique et Verification Experimentale de la Theorie; Khimicheskie vozdejstviya yadernoj otdachi v organicheskikh galoidnykh sistemakh: novoe teoreticheskoe tolkovanie i ehksperimental'noe podtverzhdenie teorii; Efectos Quimicos del Retroceso Nuclear en Sistemas de Haluros Organicos: Nuevo Tratamiento Teorico y Verificacion Experimental de la Teoria

    Energy Technology Data Exchange (ETDEWEB)

    Kontis, S. S.; Sanitwongs, P.; Weston, M. [Londonderry Laboratory for Radiochemistry, University of Durham, Durham (United Kingdom)

    1965-04-15

    Methods have been developed for calculating the organic retention of radiohalogen to be expected following neutron activation of mixtures of two organic halides and the corresponding free halogen. The methods are based on the concepts of the Libby ''billiard-ball'' process of hot-atom labelling and retentions are expressed in terms of two types of parameters: (1) the fractional chance that collision of a hot radiohalogen atom with a particular molecule will lead to retention of the hot atom in that molecule; (2) the upper and lower energy limits for what is termed a hot bromine atom. It is shown how the former type of parameter may be derived from experiments with binary mixtures of an organic halide and the corresponding free halogen: the second type of parameter must be deduced from nuclear and chemical data. These methods have been tested by studies on the systems C{sub 2}H{sub 5}Br/CCl{sub 4}/Br{sub 2} and C{sub 2}H{sub 5}Br/C{sub 6}H{sub 5}Br/Br{sub 2}. The calculated retentions (using parameters derived from studies of the systems C{sub 2}H{sub 5}Br/Br{sub 2}, CCl{sub 4}/Br{sub 2} and C{sub 6}H{sub 5}Br/Br{sub 2}) are in good agreement with those found experimentally in mixtures with a bromine mole-fraction greater than about 0.1. It is therefore considered that the Libby mechanism is adequate to explain the observed organic retentions in such mixtures. As the bromine mole-fraction is reduced, below 0.1 the observed retentions become progressively higher than calculated values. This is attributed to there being additional modes of hot-atom labelling which become operative when the bromine concentration is not high enough to give adequate radical scavenging. (author) [French] Lesauteuts ont mis au point des methodes pour calculer la retention organique du radiohalogene a laquelle on peut s'attendre apres activation par les neutrons de melanges de deux halogenures organiques et de l'halogene libre correspondant. Ces methodes sont basees sur les principes du

  19. Two-Dimensional Lead Halide Perovskites Templated by a Conjugated Asymmetric Diammonium.

    Science.gov (United States)

    Hautzinger, Matthew P; Dai, Jun; Ji, Yujin; Fu, Yongping; Chen, Jie; Guzei, Ilia A; Wright, John C; Li, Youyong; Jin, Song

    2017-12-18

    We report novel two-dimensional lead halide perovskite structures templated by a unique conjugated aromatic dication, N,N-dimethylphenylene-p-diammonium (DPDA). The asymmetrically substituted primary and tertiary ammoniums in DPDA facilitate the formation of two-dimensional network (2DN) perovskite structures incorporating a conjugated dication between the PbX 4 2- (X = Br, I) layers. These 2DN structures of (DPDA)PbI 4 and (DPDA)PbBr 4 were characterized by single-crystal X-ray diffraction, showing uniquely low distortions in the Pb-X-Pb bond angle for 2D perovskites. The Pb-I-Pb bond angle is very close to ideal (180°) for a 2DN lead iodide perovskite, which can be attributed to the ability of the rigid diammonium DPDA to insert into the PbX 6 2- octahedral pockets. Optical characterization of (DPDA)PbI 4 shows an excitonic absorption peak at 2.29 eV (541 nm), which is red-shifted in comparison to similar 2DN lead iodide structures. Temperature-dependent photoluminescence of both compounds reveals both a self-trapped exciton and free exciton emission feature. The reduced exciton absorption energy and emission properties are attributed to the dication-induced structural order of the inorganic PbX 4 2- layers. DFT calculation results suggest mixing of the conjugated organic orbital component in the valence band of these 2DN perovskites. These results demonstrate a rational new strategy to incorporate conjugated organic dications into hybrid perovskites and will spur spectroscopic investigations of these compounds as well as optoelectronic applications.

  20. The impact of alkali metal halide electron donor complexes in the photocatalytic degradation of pentachlorophenol

    Energy Technology Data Exchange (ETDEWEB)

    Khuzwayo, Z., E-mail: zack.khuzwayo@up.ac.za; Chirwa, E.M.N

    2017-01-05

    Highlights: • Facilitation of photocatalysis using simple metal-halides as VB hole scavengers. • Recombination prevention by coupled valence and conduction band approaches. • Determination of anions critical levels beyond which process retardation occurs. • Determination of the photocatalytic process rate of reaction kinetics. - Abstract: The performance of photocatalytic oxidation of chemical pollutants is subjected to the presence of anion complexes in natural waters. This study investigated the influence of alkali metal (Na{sup +} (sodium), K{sup +} (potassium)) halides (Cl{sup −} (chloride), Br{sup −} (bromide), F{sup −} (fluoride)) as inorganic ion sources in the photocatalytic degradation of pentachlorophenol (PCP) in batch systems. It was found that the exclusive presence of halides in the absence of an electron acceptor adequately facilitated the photocatalyst process below critical levels of anion populations, where beyond the critical point the process was significantly hindered. Below the determined critical point, the performance in some cases near matches that of the facilitation of the photocatalytic process by exclusive oxygen, acting as an electron scavenger. The coupling of halide ions and oxygenation presented significantly improved photo-oxidation of PCP, this was confirmed by the inclusion of formic acid as a comparative electron donor. The Langmuir-Hinshelwood kinetic expression was used to calculate the performance rate kinetics. The probable impact of the halide anions was discussed with regards to the process of electron hole pair recombination prevention.

  1. Totally James

    Science.gov (United States)

    Owens, Tom

    2006-01-01

    This article presents an interview with James Howe, author of "The Misfits" and "Totally Joe". In this interview, Howe discusses tolerance, diversity and the parallels between his own life and his literature. Howe's four books in addition to "The Misfits" and "Totally Joe" and his list of recommended books with lesbian, gay, bisexual, transgender,…

  2. Iron halide mediated atom transfer radical polymerization of methyl methacrylate with N-Alkyl-2-pyridylmethanimine as the ligand

    NARCIS (Netherlands)

    Zhang, H.; Schubert, U.S.

    2004-01-01

    The controlled atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) catalyzed by iron halide/N-(n-hexyl)-2-pyridylmethanimine (NHPMI) is described. The ethyl 2-bromoisobutyrate (EBIB)-initiated ATRP with [MMA]0/[EBIB]0/[iron halide]0/[NHPMI]0 = 150/1/1/2 was better controlled in

  3. Homocoupling of aryl halides in flow: Space integration of lithiation and FeCl3 promoted homocoupling

    Directory of Open Access Journals (Sweden)

    Aiichiro Nagaki

    2011-08-01

    Full Text Available The use of FeCl3 resulted in a fast homocoupling of aryllithiums, and this enabled its integration with the halogen–lithium exchange reaction of aryl halides in a flow microreactor. This system allows the homocoupling of two aryl halides bearing electrophilic functional groups, such as CN and NO2, in under a minute.

  4. Studies on the use of haloperoxidases in organic synthesis

    NARCIS (Netherlands)

    Franssen, M.C.R.

    1987-01-01

    The subject of this thesis is the use of haloperoxidases in synthetic organic chemistry. Haloperoxidases are enzymes capable of halogenating a variety of organic compounds. They require hydrogen peroxide and halide ions as cosubstrates. The enzymes operate under mild conditions, compared to

  5. A study on the localized corrosion of cobalt in bicarbonate solutions containing halide ions

    Energy Technology Data Exchange (ETDEWEB)

    Gallant, Danick [Departement de Biologie, Chimie et Sciences de la Sante, Universite du Quebec a Rimouski, 300, Allee des Ursulines, Rimouski, Que., G5L 3A1 (Canada); Departement de Chimie, Universite Laval, Quebec, Que., G1K 7P4 (Canada); Simard, Stephan [Departement de Biologie, Chimie et Sciences de la Sante, Universite du Quebec a Rimouski, 300, Allee des Ursulines, Rimouski, Que., G5L 3A1 (Canada)]. E-mail: stephan_simard@uqar.qc.ca

    2005-07-01

    The localized attack of cobalt in bicarbonate aqueous solutions containing halide ions was investigated using electrochemical techniques, scanning electron microscopy, UV-visible and Raman spectroscopies. Rotating disc and rotating ring-disc electrodes were used to determine the effect of bicarbonate concentration, solution pH, nature and concentration of the halide ions, convection and potential sweep rate on the corrosion processes. These parameters were found to play a key role on the localized attack induced by halide ions by influencing the production of a Co(HCO{sub 3}){sub 2} precipitate on the pit surface. Potentiostatically generated cobalt oxide films (CoO and Co{sub 3}O{sub 4}) were found to be efficient to reduce pitting corrosion of cobalt.

  6. The role of halide ions on the electrochemical behaviour of iron in alkali solutions

    Science.gov (United States)

    Begum, S. Nathira; Muralidharan, V. S.; Basha, C. Ahmed

    2008-02-01

    Active dissolution and passivation of transition metals in alkali solutions is of technological importance in batteries. The performance of alkaline batteries is decided by the presence of halides as they influence passivation. Cyclic voltammetric studies were carried out on iron in different sodium hydroxide solutions in presence of halides. In alkali solutions iron formed hydroxo complexes and their polymers in the interfacial diffusion layer. With progress of time they formed a cation selective layer. The diffusion layer turned into bipolar ion selective layer consisted of halides, a selective inner sublayer to the metal side and cation selective outer layer to the solution side. At very high anodic potentials, dehydration and deprotonation led to the conversion of salt layer into an oxide.

  7. Holographic Optical Elements Recorded in Silver Halide Sensitized Gelatin Emulsions. Part I. Transmission Holographic Optical Elements

    Science.gov (United States)

    Kim, Jong Man; Choi, Byung So; Kim, Sun Il; Kim, Jong Min; Bjelkhagen, Hans I.; Phillips, Nicholas J.

    2001-02-01

    Silver halide sensitized gelatin (SHSG) holograms are similar to holograms recorded in dichromated gelatin (DCG), the main recording material for holographic optical elements (HOE s). The drawback of DCG is its low sensitivity and limited spectral response. Silver halide materials can be processed in such a way that the final hologram will have properties like a DCG hologram. Recently this technique has become more interesting since the introduction of new ultra-high-resolution silver halide emulsions. An optimized processing technique for transmission HOE s recorded in these materials is introduced. Diffraction efficiencies over 90% can be obtained for transmissive diffraction gratings. Understanding the importance of the selective hardening process has made it possible to obtain results similar to conventional DCG processing. The main advantage of the SHSG process is that high-sensitivity recording can be performed with laser wavelengths anywhere within the visible spectrum. This simplifies the manufacturing of high-quality, large-format HOE s.

  8. Worst-case study for cleaning validation of equipment in the radiopharmaceutical production of lyophilized reagents: Methodology validation of total organic carbon

    International Nuclear Information System (INIS)

    Porto, Luciana Valeria Ferrari Machado

    2015-01-01

    Radiopharmaceuticals are defined as pharmaceutical preparations containing a radionuclide in their composition, mostly intravenously administered, and therefore compliance with the principles of Good Manufacturing Practices (GMP) is essential and indispensable. Cleaning validation is a requirement of the current GMP, and consists of documented evidence, which demonstrates that the cleaning procedures are able to remove residues to pre-determined acceptance levels, ensuring that no cross contamination occurs. A simplification of cleaning processes validation is accepted, and consists in choosing a product, called 'worst case', to represent the cleaning processes of all equipment of the same production area. One of the steps of cleaning validation is the establishment and validation of the analytical method to quantify the residue. The aim of this study was to establish the worst case for cleaning validation of equipment in the radiopharmaceutical production of lyophilized reagent (LR) for labeling with 99m Tc, evaluate the use of Total Organic Carbon (TOC) content as indicator of equipment cleaning used in the LR manufacture, validate the method of Non-Purgeable Organic Carbon (NPOC), and perform recovery tests with the product chosen as worst case. Worst case product's choice was based on the calculation of an index called 'Worst Case Index' (WCI), using information about drug solubility, difficulty of cleaning the equipment and occupancy rate of the products in line production. The products indicated 'worst case' was the LR MIBI-TEC. The method validation assays were performed using carbon analyser model TOC-Vwp coupled to an autosampler model ASI-V, both from Shimadzu®, controlled by TOC Control-V software. It was used the direct method for NPOC quantification. The parameters evaluated in the validation method were: system suitability, robustness, linearity, detection limit (DL) and quantification limit (QL), precision

  9. Compacted sewage sludge as a barrier for tailings: the heavy metal speciation and total organic carbon content in the compacted sludge specimen.

    Directory of Open Access Journals (Sweden)

    Huyuan Zhang

    Full Text Available Acid mine drainage (AMD was the main environmental problem facing the mining industry. For AMD had high heavy metals content and low pH, the compacted sewage sludge might be a barrier for tailings whose oxidation and weathering produced AMD, with its own carbon source, microorganism reduction ability and impermeability. To study the heavy metals environmental risk, under the simulate AMD, the deionized water (DW, and the pH 2.1 sulfuric acid water (SA seepage conditions, respectively, the changes of the chemical speciation of heavy metals Cd, Cu, Fe, Ni, Zn and total organic carbon (TOC content in the compacted sewage sludge were assessed in the different periods. The results indicated according to the distribution of heavy metals, the potential mobility was for Cd: 6.08 under AMD, 7.48 under SA, ∞ under DW; for Cu: 0.08 under AMD, 0.17 under SA, 0.59 under DW; for Fe: 0.15 under AMD, 0.22 under SA, 0.22 under DW; for Ni: 2.60 under AMD, 1.69 under SA, 1.67 under DW; and for Zn: 0.15 under AMD, 0.23 under SA and 0.21 under DW at the second checking time. TOC content firstly decreased from 67.62±0% to 66.29±0.35%, then increased to 67.74±0.65% under the AMD seepage while TOC decreased to 63.30±0.53%, then to 61.33±0.37% under the DW seepage, decreased to 63.86±0.41%, then to 63.28±0.49% under SA seepage. That indicated under the AMD seepage, the suitable microorganisms communities in the compacted sewage sludge were activated. And the heavy metals environmental risk of compacted sewage sludge was lower with AMD condition than with other two. So the compacted sewage sludge as a barrier for tailings was feasible as the aspect of environmental risk assessment.

  10. Decoupling of lignin and total litter decomposition across North American forest soils: a phenomenon to reconcile old and new paradigms of soil organic matter?

    Science.gov (United States)

    Hall, S. J.; Hammel, K.

    2017-12-01

    An "old" paradigm of soil organic matter (SOM) posited that biochemically "recalcitrant" lignin derivatives were a dominant constituent. Over the past decade(s), evidence for a newer paradigm has emerged which suggests that recalcitrance has little long-term impact on the biochemical composition of SOM, and that lignin is relatively unimportant in comparison with dead microbial biomass. Yet, methodological biases have hampered accurate quantification of lignin dynamics in mineral soils, and may have led to systematic underestimates of lignin stocks and turnover. Here, we sought to test this aspect of the "new" SOM paradigm. Synthetic position-specific 13C-labeled lignins provide a robust quantitative method to track the mineralization and fate of lignin moieties in mineral soils. Relatively few microbial taxa are known to depolymerize macromolecular lignin, and lignin derivatives can specifically associate with iron oxide mineral phases. Consequently, we hypothesized that decomposition of lignin is poorly correlated with total litter decomposition across ecosystems, and that lignin may represent a variable but significant component of decadal-cycling SOM. We incubated 10 forest soils spanning diverse North American ecosystems over seven months under laboratory conditions at constant temperature and moisture. Soils were incubated alone, with added C4 grass litter and natural isotope abundance lignin, and with added C4 litter and 13Cß-labeled lignin. These treatments allowed us to partition respiration for each soil from SOM, litter, and the Cß moiety of lignin—which is diagnostic for cleavage of the polymer. Consistent with our hypothesis, we found much greater variability (ten-fold) in cumulative lignin mineralization relative to bulk litter (two-fold) among soils. Multiple-pool first-order decay models implied that mean turnover times for lignin ranged from one to several decades among soils, relative to several years for bulk litter. Our results suggest a

  11. Characterization of a catalyst-based conversion technique to measure total particulate nitrogen and organic carbon and comparison to a particle mass measurement instrument

    Science.gov (United States)

    Stockwell, Chelsea E.; Kupc, Agnieszka; Witkowski, Bartłomiej; Talukdar, Ranajit K.; Liu, Yong; Selimovic, Vanessa; Zarzana, Kyle J.; Sekimoto, Kanako; Warneke, Carsten; Washenfelder, Rebecca A.; Yokelson, Robert J.; Middlebrook, Ann M.; Roberts, James M.

    2018-05-01

    The chemical composition of aerosol particles is a key aspect in determining their impact on the environment. For example, nitrogen-containing particles impact atmospheric chemistry, air quality, and ecological N deposition. Instruments that measure total reactive nitrogen (Nr = all nitrogen compounds except for N2 and N2O) focus on gas-phase nitrogen and very few studies directly discuss the instrument capacity to measure the mass of Nr-containing particles. Here, we investigate the mass quantification of particle-bound nitrogen using a custom Nr system that involves total conversion to nitric oxide (NO) across platinum and molybdenum catalysts followed by NO-O3 chemiluminescence detection. We evaluate the particle conversion of the Nr instrument by comparing to mass-derived concentrations of size-selected and counted ammonium sulfate ((NH4)2SO4), ammonium nitrate (NH4NO3), ammonium chloride (NH4Cl), sodium nitrate (NaNO3), and ammonium oxalate ((NH4)2C2O4) particles determined using instruments that measure particle number and size. These measurements demonstrate Nr-particle conversion across the Nr catalysts that is independent of particle size with 98 ± 10 % efficiency for 100-600 nm particle diameters. We also show efficient conversion of particle-phase organic carbon species to CO2 across the instrument's platinum catalyst followed by a nondispersive infrared (NDIR) CO2 detector. However, the application of this method to the atmosphere presents a challenge due to the small signal above background at high ambient levels of common gas-phase carbon compounds (e.g., CO2). We show the Nr system is an accurate particle mass measurement method and demonstrate its ability to calibrate particle mass measurement instrumentation using single-component, laboratory-generated, Nr-containing particles below 2.5 µm in size. In addition we show agreement with mass measurements of an independently calibrated online particle-into-liquid sampler directly coupled to the

  12. Ionic conductivity of N-alkyl pyridinium halides mesophases

    International Nuclear Information System (INIS)

    Meftah, Ahmed

    1980-01-01

    The quasi anhydrous N-alkyl pyridinium halides undergo at a temperature T c a phase transition from a crystalline isolating state to a conducting mesophase (σ = 3.10 -2 Ω -1 cm -1 ). The transition temperature depends on the nature on counter-ion and on the aliphatic chain length. The present study is devoted to the N-alkyl pyridinium chlorides, bromides and iodides varying the number of carbon atoms in the chain from ten to twenty two. The transition temperatures T c were found to increase from 30 deg. C up to 110 deg. C by a step of 10 deg. C for two added carbon atoms in the chain. The electrical measurements have shown that the conductivity of the mesophases which is ionic in origin is due to a large mobility of counter-ions in hydrophilic parts. At high frequencies (F > 10 3 Hz) ionic conductivity predominates in the bulk and does not depend on frequency. At low frequencies (F 3 Hz) the most important are interface phenomena depending on the square root of inverse frequency (ω -1/2 ) and being due to an electronic exchange limited by diffusion velocity of counter-ions. The electrical conductivity depends weekly on the chain length and the mesophases textures. The most conducting mesophase is the optically isotropic. The conductivity increases with increasing water content of the system and decreases with increasing atomic number of counter-ion. The diffusion measurements by radioactive tracers confirm the ionic character of charge carriers although the diffusion factors obtained by this method are largely higher than the calculated ones from the conductivity values. (author) [fr

  13. Molecular beam scattering from clean surfaces of alkali halides

    International Nuclear Information System (INIS)

    Meyers, J.A.

    1975-01-01

    Molecular beam scattering of light gases from in situ cleaved alkali halide surfaces has been studied as a means of developing molecular beam scattering as a surface characterization tool and as a means of obtaining information about the gas atom-solid surface potential interaction. For 4 He scattering from LiF carried out under improved resolution the main results are: (1) there are four bound states in the surface potential well, as energies of -5.8, -2.2, -0.6 and -0.1 MeV. (2) Most of the structure designated as ''fine structure'' is due either to transitions to these four levels via various small reciprocal lattice vectors or to the opening of diffraction channels. (3) The transitions involving the (01) and (0 anti 1) reciprocal lattice vectors (i.e., the ones nearly perpendicular to the incident wavevector) are strong; as much as 85 percent of the specular intensity may be removed. Transitions via the other small reciprocal lattice vectors are much weaker. (4) The widths of the lines are consistent with the velocity distribution, which has a half-width of about 2 percent. (5) The observed energies agree fairly well with those calculated for a zeta-function potential, but are not consistent with a Morse potential. The preliminary results for 4 He/NaF scattering are that there are three bound-states in the surface potential well and are quite similar to the LiF results. These energies are -5.0, -1.9, and -0.5 MeV. 4 He/NaF selective adsorption also shows ''fine structure'' and a more detailed analysis is called for here

  14. Studies on radiation-sensitive nonsilver halide materials, (1)

    International Nuclear Information System (INIS)

    Komizu, Hideo; Honda, Koichi; Yabe, Akira; Kawasaki, Masami; Fujii, Etsuo

    1978-01-01

    In order to discover new radiation-sensitive nonsilver halide materials, the coloration based on the formation of Stenhouse salts was studied in the following three systems: (a) furfural-amine/HCl aq/methanol solution, (b) furfural-amine/polyhalogenide/PMMA matrix, (c) furfural-amine/PVC matrix. Firstly, forty-five aromatic amines were surveyed to find out the amines suitable for the color precursors (reactant from furfural and amine) in the system (a). As a result, the five amines, which gave the precursors in good yields by the reaction with furfural, were selected: m-nitroaniline, N-methylaniline, m-methyl-N-methylaniline, aniline, and o-methoxyaniline. Secondly, the coloration induced by electron beam bombardment was studied in the systems (b) and (c) containing the color precursors (the reactants from these amines and furfural). Although the PMMA films containing the color precursors and polyhalogenides were sensitive to electron beam, they were not stable when standing under daylight at room temperature. The PVC films containing the color precursors were very stable and colored to reddish yellow (lambda sub(max) 498 - 545 nm) by electron beam bombardment. The PVC film containing N-methylaniline-furfural was the most sensitive and the increase in absorbance at 498 nm was 0.78 by electron beam bombardment of 60 kV - 7.5 x 10 -7 C/cm 2 . A good linear relationship existed between the degree of coloration and the amounts of electron beam bombardment in the range from 0 to 10 -6 C/cm 2 . (author)

  15. Greater Fusarium wilt suppression after complex than after simple organic amendments as affected by soil pH, total carbon and ammonia-oxidizing bacteria

    NARCIS (Netherlands)

    Senechkin, I.V.; Overbeek, van L.S.; Bruggen, van A.H.C.

    2014-01-01

    A field experiment was conducted to compare effects of four types of organic amendments on soil chemical, microbiological and disease suppression characteristics in an organic farm. The amendments were plant-derived fresh compost (C), steer-derived slurry (S), slurry plus dung (SD) and slurry,

  16. Nanostructure of propylammonium nitrate in the presence of poly(ethylene oxide) and halide salts

    Science.gov (United States)

    Stefanovic, Ryan; Webber, Grant B.; Page, Alister J.

    2018-05-01

    Nanoscale structure of protic ionic liquids is critical to their utility as molecular electrochemical solvents since it determines the capacity to dissolve salts and polymers such as poly(ethylene oxide) (PEO). Here we use quantum chemical molecular dynamics simulations to investigate the impact of dissolved halide anions on the nanostructure of an archetypal nanostructured protic ionic liquid, propylammonium nitrate (PAN), and how this impacts the solvation of a model PEO polymer. At the molecular level, PAN is nanostructured, consisting of charged/polar and uncharged/nonpolar domains. The charged domain consists of the cation/anion charge groups, and is formed by their electrostatic interaction. This domain solvophobically excludes the propyl chains on the cation, which form a distinct, self-assembled nonpolar domain within the liquid. Our simulations demonstrate that the addition of Cl- and Br- anions to PAN disrupts the structure within the PAN charged domain due to competition between nitrate and halide anions for the ammonium charge centre. This disruption increases with halide concentration (up to 10 mol. %). However, at these concentrations, halide addition has little effect on the structure of the PAN nonpolar domain. Addition of PEO to pure PAN also disrupts the structure within the charged domain of the liquid due to hydrogen bonding between the charge groups and the terminal PEO hydroxyl groups. There is little other association between the PEO structure and the surrounding ionic liquid solvent, with strong PEO self-interaction yielding a compact, coiled polymer morphology. Halide addition results in greater association between the ionic liquid charge centres and the ethylene oxide components of the PEO structure, resulting in reduced conformational flexibility, compared to that observed in pure PAN. Similarly, PEO self-interactions increase in the presence of Cl- and Br- anions, compared to PAN, indicating that the addition of halide salts to PAN

  17. Structures of butyl ions formed by electron impact ionization of isomeric butyl halides and alkanes

    International Nuclear Information System (INIS)

    Shold, D.M.; Ausloos, P.

    1978-01-01

    Using a pulsed ion cyclotron resonance (ICR) spectrometer, it is demonstrated that at pressures of about 10 -6 Torr and at observation times ranging from 10 -3 to 0.5 s, isobutane, neopentane, 2,2-dimethylbutane, isobutyl halides, and tert-butyl halides form C 4 H 9 + ions having the tertiary structure. In n-alkanes, 2-methylbutane, 3-methylpentane, n-butyl halides, and sec-butyl halides, both sec-C 4 H 9 + and t-C 4 H 9 + ions are observed, the sec-C 4 H 9 + ions surviving without rearrangement for at least 0.1 s. However, in the case of the halides, a collision-induced isomerization of the sec-C 4 H 9 + to the t-C 4 H 9 + ions occurs. The efficiency of this process increases with the basicity of the alkyl halide. Radiolysis experiments carried out at atmospheric pressures indicate, in agreement with ICR and solution experiments, that at times as short as 10 -10 s the majority of the i-C 4 H 9 + ions from isobutyl bromide rearrange to the t-C 4 H 9 + structure. On the other hand, in the radiolysis of both n-hexane and 3-methylpentane, the abundance of t-C 4 H 9 + relative to sec-C 4 H 9 + is substantially smaller than that observed in the ICR experiments, and decreases with decreasing collision interval. It is suggested that about 90% of the i-C 4 H 9 + can rearrange to t-C 4 H 9 + by simple 1,2-hydride shift without involving secondary or protonated methylcyclopropane structures as intermediates. 4 figures, 2 tables

  18. Plasmonic characterization of photo-induced silver nanoparticles extracted from silver halide based TEM film

    Energy Technology Data Exchange (ETDEWEB)

    Sudheer,, E-mail: sudheer@rrcat.gov.in; Tiwari, P.; Rai, V. N.; Srivastava, A. K. [Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced Technology Indore, Madhya Pradesh 452013 (India); Varshney, G. K. [Laser Bio-medical Applications & Instrumentation Division, Raja Ramanna Centre for Advanced Technology Indore, Madhya Pradesh 452013 (India)

    2016-05-23

    The plasmonic responses of silver nanoparticles extracted from silver halide based electron microscope film are investigated. Photo-reduction process is carried out to convert the silver halide grains into the metallic silver. The centrifuge technique is used for separating the silver nanoparticles from the residual solution. Morphological study performed by field emission scanning electron microscope (FESEM) shows that all the nanoparticles have an average diameter of ~120 nm with a high degree of mono dispersion in size. The localized surface plasmon resonance (LSPR) absorption peak at ~537 nm confirms the presence of large size silver nanoparticles.

  19. The electronic structure of the F-center in alkali-halides-The Bethe cluster - lattice

    International Nuclear Information System (INIS)

    Queiroz, S.L.A. de.

    1977-07-01

    The electronic structure of the F-center in alkali-halides with the NaCl structure has been studied using the Bethe Cluster lattice method. The central cluster has been taken as constituted by the vacancy and the nearest- and second-neighbors to it, respectively cations and anions. The optical transitions have been calculated and compared to experimental data on the location of the peak of the F-absorption band. The agreement obtained indicates that this method may be used to study properties of this defect in alkali halides. (Author) [pt

  20. The Electrical and Optical Properties of Organometal Halide Perovskites Relevant to Optoelectronic Performance

    KAUST Repository

    Adinolfi, Valerio

    2017-10-12

    Organometal halide perovskites are under intense study for use in optoelectronics. Methylammonium and formamidinium lead iodide show impressive performance as photovoltaic materials; a premise that has spurred investigations into light-emitting devices and photodetectors. Herein, the optical and electrical material properties of organometal halide perovskites are reviewed. An overview is given on how the material composition and morphology are tied to these properties, and how these properties ultimately affect device performance. Material attributes and techniques used to estimate them are analyzed for different perovskite materials, with a particular focus on the bandgap, mobility, diffusion length, carrier lifetime, and trap-state density.