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Sample records for alkali halide crystals

  1. luminescence in coloured alkali halide crystals

    Indian Academy of Sciences (India)

    irradiated alkali halide crystals are similar to the luminescence excited by high energy radiation. Ueta et al [11] ... emission, a correlation between the deformation bleaching and mechanoluminescence of coloured alkali ..... [32] V P Zakrevskii, T S Orlova and A V Shuldiner, J. Solid State 37, 675 (1995). [33] C D Clark and ...

  2. luminescence in coloured alkali halide crystals

    Indian Academy of Sciences (India)

    Abstract. The present paper reports the correlation between deformation bleaching of coloration and mechanoluminescence (ML) in coloured alkali halide crystals. When the F-centre electrons captured by moving dislocations are picked up by holes, deep traps and other compatible traps, then deformation bleaching occurs.

  3. 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)

  4. 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.

  5. Thermoluminescence response of a mixed ternary alkali halide crystals exposed to gamma rays

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez M, R.; Perez S, R. [Universidad de Sonora, Departamento de Investigacion en Fisica, Apdo. Postal 5-088, 83190 Hermosillo, Sonora (Mexico); Vazquez P, G.; Riveros, H. [UNAM, Instituto de Fisica, Apdo. Postal 20-364, 01000 Mexico D. F. (Mexico); Gonzalez M, P., E-mail: mijangos@cifus.uson.mx [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2014-08-15

    Ionic crystals, mainly alkali halide crystals have been the subject of intense research for a better understanding of the luminescence properties of defects induced by ionizing radiation. The defects in crystals can be produced in appreciable concentration due to elastic stresses, radiation, and addition of impurities. These defects exhibit remarkable thermoluminescence properties. This work is concerned with the Tl properties of a ternary alkali halide crystal after being irradiated with gamma and beta rays. It has been found that the Tl glow peak of the crystal follows a rule of average associated to the Tl Temperatures of the components of the mixture, similarly to the response of europium doped binary mixed crystals KCl{sub x}KBr{sub 1-x} and KBr{sub x}RbBr{sub 1-x}. (Author)

  6. Radiophotoluminescence of alkali-halide crystals stimulated by Bessel laser beam

    CERN Document Server

    Lyakh, V V; Kochubey, D I; Gyunsburg, K E; Zvezdova, N P; Kochubey, D I; Sedova, Y G; Koronkevich, V P; Poleschuk, A G; Sedukhin, A G

    2000-01-01

    A new approach to realization of optimal high-resolution reading of deep X-ray images in X-ray-sensitive materials on the base of alkali-halide crystals modified with admixtures has been suggested and investigated experimentally. A possibility to use diffraction axicons with ring aperture for forming micron bright light beams (spatially truncated Bessel beams) which can efficiently de-excite radiophotoluminescence centers lying at large depth in crystals is also presented.

  7. Possible configuration of two-knot auto-localized exciton in strainless and deformed alkali halide crystals

    International Nuclear Information System (INIS)

    Dzhumanov, S.; Tulepbergenov, S.K.; Shunkeev, K.Sh.

    2002-01-01

    In the paper molecular component of two-knot auto-localized exciton (TALE) occupying centrosymmetric state in alkali halide crystal cubic lattice with local D 2h symmetry is considered. In is suggested that the symmetry lowering of forming small radius auto-localized exciton (ALE) is realizing in order configuration transformation by the scenario: multi-knot continual ALE (with O h symmetry)→six-halide ALE (with O h symmetry)→TALE (with O h symmetry) or by the scenario O h →D 2h . Then for TALE with local D 2h symmetry normal molecular ion shifts are considered as well

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

    Indian Academy of Sciences (India)

    theoretical and experimental results related to the AE from alkali halide crystals. Keywords. Acoustic emission; dislocation; alkali halide crystals; plastic deformation. PACS Nos 43.40.Le; 62.20.Fe; 61.72.Hh. 1. Introduction. Discrete acoustic wave packets are generated in solids during their mechanical de- formation.

  9. Mobile interstitial model and mobile electron model of mechano-induced luminescence in coloured alkali halide crystals

    International Nuclear Information System (INIS)

    Chandra, B.P.; Singh, Seema; Ojha, Bharti; Shrivastava, R.G.

    1996-01-01

    A theoretical study is made on the mobile interstitial and mobile electron models of mechano-induced luminescence in coloured alkali halide crystals. Equations derived indicate that the mechanoluminescence intensity should depend on several factors like strain rate, applied stress, temperature, density of F-centres and volume of crystal. The equations also involve the efficiency and decay time of mechanoluminescence. Results of mobile interstitial and mobile electron models are compared with the experimental observations, which indicated that the latter is more suitable as compared to the former. From the temperature dependence of ML, the energy gaps between the dislocation band and ground state of F-centre is calculated which are 0.08, 0.072 and 0.09 eV for KCl, KBr and NaCl crystals, respectively. The theory predicts that the decay of ML intensity is related to the process of stress relaxation in crystals. (author). 33 refs., 5 figs., 1 tab

  10. Measurements of spin-lattice relaxation time in mixed alkali halide crystals

    International Nuclear Information System (INIS)

    Tannus, A.

    1983-01-01

    Using magneto-optic techniques the ground state spin-lattice relaxation times (T1) of 'F' centers in mixed Alkali Halide cristals (KCl-KBr), was studied. A computer assisted system to optically measure short relaxation times (approx. = 1mS), was described. The technique is based on the measurement of the Magnetic Circular Dicroism (MCD) presented by F centers. The T1 magnetic field dependency at 2 K (up to 65 KGauss), was obtained as well as the MCD spectra for different relative concentration at the mixed matrices. The theory developed by Panepucci and Mollenauer for F centers spin-lattice relaxation in pure matrices was modified to explain the behaviour of T1 in mixed cristals. The Direct Process results (T approx. = 2.0 K) compared against that theory shows that the main relaxation mecanism, up to 25 KGauss, continues to be phonon modulation of the hiperfine iteraction between F electrons and surrounding nuclei. (Author) [pt

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

    Indian Academy of Sciences (India)

    AE) from alkali halide crystals. ... School of Studies in Physics, Pt. Ravi Shankar Shukia University, Raipur 492 010, India; Department of Electronics and Telecommunication, Raipur Institute of Technology, Raipur 492 101, India; Department of ...

  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. Defect formation and desorption of metal atoms from alkali halide crystals under low energy electron bombardment studied by optical absorption and mass spectroscopy

    International Nuclear Information System (INIS)

    Seifert, N.R.

    1993-04-01

    This work presents an extensive investigation of electronically induced desorption of ground-state alkali atoms from alkali halides and for the first time correlates directly the desorption with the stability and spatial distribution of the defects formed during bombardment. The electron impact results in the formation of stable F-centers and F-center clusters in the bulk of the crystals. In striking contrast a significant metallization of the surface is observed. Even at temperatures as low as 90 deg C the metallization is achieved within the time resolution of our detection system, which can only be explained by the rapid diffusion of hot holes. Superimposed to the fast and short diffusion of hot holes is the slow F-center diffusion. Measuring the distribution of defects with low energy ion sputtering techniques indicates that at least in the case of LiF the observed diffusion constant of F-centers agrees with values derived by using methods different from that applied here. At low temperatures the formation of F-center clusters and metal on the surface dominates. Colloid formation clearly requires higher temperatures (typically around 200 deg C). This is a strong evidence that efficient F-center diffusion is necessary for the formation of metallic particles (colloids) in the bulk of the crystals. Desorption of alkali atoms from alkali halides at temperatures around room temperature is due to weakly bound alkali atoms. For elevated temperatures the stability of the metallic clusters in the bulk of the crystals (i.e. colloids) are the rate limiting process. (author)

  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. Study on influence of growth conditions on position and shape of crystal/melt interface of alkali lead halide crystals at Bridgman growth

    Czech Academy of Sciences Publication Activity Database

    Král, Robert

    2012-01-01

    Roč. 360, S1 (2012), s. 162-166 ISSN 0022-0248. [5th International Workshop on Crystal Growth Technology (IWCGT). Berlin, 26.06.2011-30.06.2011] R&D Projects: GA AV ČR KJB200100901 Institutional research plan: CEZ:AV0Z10100521 Keywords : Interfaces * morphological stability * segregation * Bridgman technique * halides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.552, year: 2012

  16. 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

  17. 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

  18. 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

  19. A vibrational model of F centres in alkali halides

    Energy Technology Data Exchange (ETDEWEB)

    Salis, M. [Universita di Cagliari, Dipt. di Fisica, Istituto Nazionale di Fisica della Materia, Monserrato, CA (Italy)

    2003-07-01

    Halide vacancies in ionic crystals originate localized positive extra-charges which can trap electrons when crystals are excited by ionizing radiations. A model of F-centres in alkali halides, which relates absorption energies in F-bands to the dynamic parameters of host lattices, is proposed. According to this model, the electrons trapped in F-centres are treated as classical particles with a proper mass, m{sup *} = m*{epsilon}{sub loc}{sup 4} / {epsilon}{sub {infinity}}{sup 2}, m standing for the actual electron mass, and {epsilon}{sub loc} and {epsilon}{sub {infinity}} for local high frequency and optical dielectric constants, respectively. Hence, by considering the trapped electrons as substitutional impurities of small mass, the dynamics of the lattice is investigated by means of the theory of local modes with the assumption of isotopy. A simple equation allowing calculation of the local mode frequencies is obtained. Knowledge of the Debye frequency and of transverse and longitudinal mode frequencies at the long wavelength limit is required. With this model, F-band absorption energy is reasonably well accounted for. (author)

  20. Development of alkali halide-optics for high power-IR laser

    International Nuclear Information System (INIS)

    Pohl, L.

    1989-01-01

    In this work 'Development of Alkali Halide-Optics for High Power-IR Laser' we investigated the purification of sodiumchloride-, potassiumchloride- and potassiumbromide-raw materials. We succeeded to reduce the content of impurities like Cu, Pb, V, Cr, Mn, Fe, Co and Ni in these raw materials to the lower of ppb's by a Complex-Adsorption-Method (CAM). Crystals were grown from purified substances by 'Kyropoulos' method'. Windows were cur thereof, polished and measured by FTIR-spectroscopy. Analytical data showed, that the resulting crystals were of lower quality than the raw materials. Because of this fact crystal-growing-conditions have to undergo a special improvement. Alkali halide windows from other sources on the market had been tested. (orig.) [de

  1. 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...

  2. 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

  3. 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.

  4. High Pressure phase transition in some alkali halides using interatomic potential model

    International Nuclear Information System (INIS)

    Yazar, H.R.

    2002-01-01

    We have predicted the phase transition pressure in some alkali halides using an interatomic potential approach based on rigid ion model.The phase transition pressures(28.69 and 2.4 GPa) obtained by us for two alkali halides (NaCl and KCl ) are in closer agreement with their corresponding experimental data(29.0 and 2.0 GPa).This potential is promising with respect to prediction of the phase transition pressure of other alkali halides as well

  5. Volcanic Origin of Alkali Halides on Io

    Science.gov (United States)

    Schaefer, L.; Fegley, B., Jr.

    2003-01-01

    The recent observation of NaCl (gas) on Io confirms our earlier prediction that NaCl is produced volcanically. Here we extend our calculations by modeling thermochemical equilibrium of O, S, Li, Na, K, Rb, Cs, F, Cl, Br, and I as a function of temperature and pressure in a Pele-like volcanic gas with O/S/Na/Cl/K = 1.518/1/0.05/0.04/0.005 and CI chondritic ratios of the other (as yet unobserved) alkalis and halogens. For reference, the nominal temperature and pressure for Pele is 1760 plus or minus 210 K and 0.01 bars based on Galileo data and modeling.

  6. Thermal neutron detection using alkali halide scintillators with Li-6 and pulse shape discrimination

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, Erik [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Dibble, Dean C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mengesha, Wondwosen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Yang, Pin [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2013-09-01

    An ideal 3He detector replacement for the near- to medium-term future will use materials that are easy to produce and well understood, while maintaining thermal neutron detection efficiency and gamma rejection close to the 3He standard. Toward this end, we investigated the use of standard alkali halide scintillators interfaced with 6Li and read out with photomultiplier tubes (PMTs). Thermal neutrons are captured on 6Li with high efficiency, emitting high-energy and triton (3H) reaction products. These particles deposit energy in the scintillator, providing a thermal neutron signal; discrimination against gamma interactions is possible via pulse shape discrimination (PSD), since heavy particles produce faster pulses in alkali halide crystals. We constructed and tested two classes of detectors based on this concept. In one case 6Li is used as a dopant in polycrystalline NaI; in the other case a thin Li foil is used as a conversion layer. In the configurations studied here, these systems are sensitive to both gamma and neutron radiation, with discrimination between the two and good energy resolution for gamma spectroscopy. We present results from our investigations, including measurements of the neutron efficiency and gamma rejection for the two detector types. We also show a comparison with Cs2LiYCl6:Ce (CLYC), which is emerging as the standard scintillator for simultaneous gamma and thermal neutron detection, and also allows PSD. We conclude that 6Li foil with CsI scintillating crystals has near-term promise as a thermal neutron detector in applications previously dominated by 3He detectors. The other approach, 6Li-doped alkali halides, has some potential, but require more work to understand material properties and improve fabrication processes.

  7. Strong Turbulence in Alkali Halide Negative Ion Plasmas

    Science.gov (United States)

    Sheehan, Daniel

    1999-11-01

    Negative ion plasmas (NIPs) are charge-neutral plasmas in which the negative charge is dominated by negative ions rather than electrons. They are found in laser discharges, combustion products, semiconductor manufacturing processes, stellar atmospheres, pulsar magnetospheres, and the Earth's ionosphere, both naturally and man-made. They often display signatures of strong turbulence^1. Development of a novel, compact, unmagnetized alkali halide (MX) NIP source will be discussed, it incorporating a ohmically-heated incandescent (2500K) tantulum solenoid (3cm dia, 15 cm long) with heat shields. The solenoid ionizes the MX vapor and confines contaminant electrons, allowing a very dry (electron-free) source. Plasma densities of 10^10 cm-3 and positive to negative ion mass ratios of 1 Fusion 4, 91 (1978).

  8. 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

  9. Methods for producing single crystal mixed halide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    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.

  10. Efficient destruction of CF4 through in situ generation of alkali metals from heated alkali halide reducing mixtures.

    Science.gov (United States)

    Lee, Myung Churl; Choi, Wonyong

    2002-03-15

    Perfluorocarbons (PFCs) are the most potent green house gases that are very recalcitrant at destruction. An effective way of converting PFCs using hot solid reagents into safe products has been recently introduced. By investigating the thermal reductive destruction of tetrafluoromethane (CF4) we provided new insight and more physicochemical consideration on this novel process. The complete destruction of CF4was successfully achieved by flowing the gas through a heated reagent bed (400-950 degrees C) that contained powder mixtures of alkali halides, CaO, and Si. The silicon acted as a reducing agent of alkali halides for the in-situ production of alkali metals, and the calcium oxide played the role of a halide ion acceptor. The absence of any single component in this ternary mixture drastically reduced the destruction efficiency of CF4. The CF4 destruction efficiencies with the solid reagent containing the alkali halide, MX, increased in the order of Li approximately Na < K < Cs for alkali cations and I < Br < Cl < F for halide anions. This trend agreed with the endothermicity of the alkali metal generation reaction: the higher the endothermicity, the lower the destruction efficiency. Alkali metal generation was indirectly detected by monitoring H2 production from its reaction with water. The production of alkali metals increased with NaF, KF, and CsF in this order. The CsF/CaO/Si system exhibited the complete destruction of CF4 at as low as 600 degrees C. The solid product analysis by X-ray diffraction (XRD) showed the formation of CaF2 and the depletion of Si with black carbon particles formed in the solid reagent residue. No CO/CO2 and toxic HF and SiF4 formation were detected in the exhaust gas.

  11. Charge-charge liquid structure factor and the freezing of alkali halides

    International Nuclear Information System (INIS)

    March, N.H.; Tosi, M.P.

    1980-10-01

    The peak height of the charge-charge liquid structure factor Ssub(QQ) in molten alkali halides is proposed as a criterion for freezing. Available data on molten alkali chlorides, when extrapolated to the freezing point suggests Ssub(QQ)sup(max) approximately 5. (author)

  12. Thorium valency in molten alkali halides in equilibrium with metallic thorium

    International Nuclear Information System (INIS)

    Smirnov, M.V.; Kudyakov, V.Ya.

    1983-01-01

    Metallic thorium is shown to corrode in molten alkali halides even in the absence of external oxidizing agents, alkali cations acting as oxidizing agents. Its corrosion rate grows in the series of alkali chlorides from LiCl to CsCl at constant temperature. Substituting halide anions for one another exerts a smaller influence, the rate rising slightly in going from chlorides to bromides and iodides, having the same alkali cations. Thorium valency is determined coulometrically, the metal being dissolved anodically in molten alkali halides and their mixtures. In fluoride melts it is equal to 4 but in chloride, bromide and iodide ones, as a rule, it has non-integral values between 4 and 2 which diminish as the temperature is raised, as the thorium concentration is lowered, as the radii of alkali cations decrease and those of halide anions increase. The emf of cells Th/N ThHlsub(n) + (1-N) MHl/MHl/C, Hlsub(2(g)) where Hl is Cl, Br or I, M is Li, Na, K, Cs or Na + K, and N < 0.05, is measured as a function of concentration at several temperatures. Expressions are obtained for its concentration dependence. The emf grows in the series of alkali chlorides from LiCl to CsCl, other conditions being equal. (author)

  13. Ion Segregation and Deliquescence of Alkali Halide Nanocrystals on SiO2

    Energy Technology Data Exchange (ETDEWEB)

    Arima, Kenta; Jiang, Peng; Lin, Deng-Sung; Verdaguer, Albert; Salmeron, Miquel

    2009-08-11

    The adsorption of water on alkali halide (KBr, KCl, KF, NaCl) nanocrystals on SiO{sub 2} and their deliquescence was investigated as a function of relative humidity (RH) from 8% to near saturation by scanning polarization force microscopy. At low humidity, water adsorption solvates ions at the surface of the crystals and increases their mobility. This results in a large increase in the dielectric constant, which is manifested in an increase in the electrostatic force and in an increase in the apparent height of the nanocrystals. Above 58% RH, the diffusion of ions leads to Ostwald ripening, where larger nanocrystals grow at the expense of the smaller ones. At the deliquescence point, droplets were formed. For KBr, KCl, and NaCl, the droplets exhibit a negative surface potential relative to the surrounding region, which is indicative of the preferential segregation of anions to the air/solution interface.

  14. Special features of the formation of high-conductivity phases of halides of alkali metals at superhigh pressures

    International Nuclear Information System (INIS)

    Babushkin, A.N.; Babushkina, G.V.

    1999-01-01

    The halides of alkali metals are the simplest crystals with the ionic nature of chemical bonds and are used widely as modelling materials in high-pressure physics. As a result of previous theoretical and experimental (optical, structural, electro-physical and shock-waves) investigations it was shown that these materials may be characterised by the overlapping of the valency and conduction bands and by the formation of groups of free charge carriers at pressures of the megabaric level. However, the authors know of no data on the direct investigations of the electrophysical properties of the halides of alkali metals at such high static pressures. The end of this investigation was to examine the temperature dependences of the electrical conductivity and thermal EMF of halides of alkali metals AX (A = Na, K, Rb, Cs, X = Cl, Br, I) in a wide temperature range at pressures from 10 to 50 GPa in order to reveal the general leisure since governing the change of their electronic structures, in particular, the transition to the state with the activation-type or metallic conductivity

  15. Development of novel growth methods for halide single crystals

    Science.gov (United States)

    Yokota, Yuui; Kurosawa, Shunsuke; Shoji, Yasuhiro; Ohashi, Yuji; Kamada, Kei; Yoshikawa, Akira

    2017-03-01

    We developed novel growth methods for halide scintillator single crystals with hygroscopic nature, Halide micro-pulling-down [H-μ-PD] method and Halide Vertical Bridgman [H-VB] method. The H-μ-PD method with a removable chamber system can grow a single crystal of halide scintillator material with hygroscopicity at faster growth rate than the conventional methods. On the other hand, the H-VB method can grow a large bulk single crystal of halide scintillator without a quartz ampule. CeCl3, LaBr3, Ce:LaBr3 and Eu:SrI2 fiber single crystals could be grown by the H-μ-PD method and Eu:SrI2 bulk single crystals of 1 and 1.5 inch in diameter could be grown by the H-VB method. The grown fiber and bulk single crystals showed comparable scintillation properties to the previous reports using the conventional methods.

  16. 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

  17. A Cluster-Bethe lattice treatment for the F-center in alkali-halides

    International Nuclear Information System (INIS)

    Queiroz, S.L.A. de; Koiller, B.; Maffeo, B.; Brandi, H.S.

    1977-01-01

    The electronic structure of the F-center in alkali-halides with the NaCl structure has been studied using the Cluster-Bethe 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 [pt

  18. Energy distributions of atoms sputtered from alkali halides by 540 eV electrons, Ch.1

    International Nuclear Information System (INIS)

    Overeijnder, H.; Szymonski, M.; Haring, A.; Vries, A.E. de

    1978-01-01

    The emission of halogen and alkali atoms, occurring under bombardment of alkali halides with electrons has been investigated. The electron energy was 540 eV and the temperature of the target was varied between room temperature and 400 0 C. The energy distribution of the emitted neutral particles was measured with a time of flight method. It was found that either diffusing interstitial halogen atoms or moving holes dominate the sputtering process above 200 0 C. Below 150 0 C alkali halides with lattice parameters s/d >= 0.33 show emission of non-thermal halogen atoms. s is the interionic space between two halogen ions in a direction and d is the diameter of a halogen atom. In general the energy distribution of the alkali and halogen atoms is thermal above 200 0 C, but not Maxwellian. (Auth.)

  19. Luminescent decay and spectra of impurity-activated alkali halides under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Klick, David Ira [Univ. of Illinois, Urbana-Champaign, IL (United States)

    1977-01-01

    The effect of high pressure on the luminescence of alkali halides doped with the transition-metal ions Cu+ and Ag+ and the heavy-metal ions In+ and Tl+ was investigated to 140 kbar. Measurement of spectra allowed the prediction of kinetic properties, and the predictions agree with lifetime data.

  20. Luminescent decay and spectra of impurity-activated alkali halides under high pressure

    International Nuclear Information System (INIS)

    Klick, D.I.

    1977-01-01

    The effect of high pressure on the luminescence of alkali halides doped with the transition-metal ions Cu + and Ag + and the heavy-metal ions In + and Tl + was investigated to 140 kbar. Measurement of spectra allowed the prediction of kinetic properties, and the predictions agree with lifetime data

  1. Epitaxial Growth of a Methoxy-Functionalized Quaterphenylene on Alkali Halide Surfaces

    DEFF Research Database (Denmark)

    Balzer, Frank; Sun, Rong; Parisi, Jürgen

    2015-01-01

    The epitaxial growth of the methoxy functionalized para-quaterphenylene (MOP4) on the (001) faces of the alkali halides NaCl and KCl and on glass is investigated by a combination of lowenergy electron diffraction (LEED), polarized light microscopy (PLM), atomic force microscopy (AFM), and X...

  2. The self-trapping of anion excitons in alkali halides at elastic deformation

    International Nuclear Information System (INIS)

    Tulepbergenov, S.K.; Dzhumanov, S.; Spivak-Lavrov, I.F.; Shunkeev, K.Sh.

    2001-01-01

    The self-trapping of electronic excitations (EE) (excitons, holes and electrons) in alkali halides (AH), fluorides and oxides plays an important roles in luminescence and defect formation. Therein the specific features of self-trapping of EE in various materials are essentially different. In particular, the self-trapping of excitons in some AH (i.e. alkali iodides and bromides) occurs with overcoming of the potential barrier and in other AH (e.g. alkali fluorides and chlorides) such a barrier is absent. Here we develop the continuum theory of self-trapping of within the adiabatic approximation elastically stressed AH. In the continuum model of solids the functional of the total energy of are interacting exciton-phonon system in the deformed ionic crystal just as in the undeformed crystal depends on the dilation Δ(r) described by the deformation potential of acoustic phonon, the electrostatic potential φ[r) due to the lattice polarization at optical lattice vibrations and the wave function of exciton chosen for hydro statically and uniaxially stressed 3D crystals. The functionals of the total energy of the interfacing exciton-phonon system E{Δ(r),φ(r),ψ(r)} are minimized relative to Δ, φ and ψ for the cases of isotropic and anisotropic 3D crystals. As a result, we obtained the functionals depending on μ and determined their possible extremum. We have show that the linear deformations under the hydrostatic and uniaxial stress at 80 K lead to the decreasing of the self trapping barrier for exciton and to the increasing of the luminescence of self-trapped excitons (STE). While the nonlinear deformations under the such stress at 80 K lead to the increasing of the self-trapping barrier for excitons and to the decreasing at the STE luminescence in AH. At T=0 K the small hydrostatic and uniaxial pressures lead to the same effects. Further at hydrostatic and uniaxial compressions of AH the minimums of the adiabatic potentials of quasifree and STE are shifted to

  3. Refined potentials for rare gas atom adsorption on rare gas and alkali-halide surfaces

    Science.gov (United States)

    Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

    1985-01-01

    The utilization of models of interatomic potential for physical interaction to estimate the long range attractive potential for rare gases and ions is discussed. The long range attractive force is calculated in terms of the atomic dispersion properties. A data base of atomic dispersion parameters for rare gas atoms, alkali ion, and halogen ions is applied to the study of the repulsive core; the procedure for evaluating the repulsive core of ion interactions is described. The interaction of rare gas atoms on ideal rare gas solid and alkali-halide surfaces is analyzed; zero coverage absorption potentials are derived.

  4. 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.

  5. Experimental studies of photon-surface interaction dynamics in the alkali halides

    International Nuclear Information System (INIS)

    Haglund, R.F. Jr.; Tolk, N.H.

    1986-01-01

    We describe recent measurements which have provided, in unprecedented detail, insights into the electronic mechanisms through which energy carried into a material by photon irradiation is absorbed, localized and rechanneled to produce desorption, surface modification, erosion and damage. The specific object of these studies has been desorption induced by electronic transition in alkali halide crystals, with particular emphasis on the dynamics of changes in the surface and near-surface regions. In our experiments, the irradiating ultraviolet photons are provided by a synchrotron storage ring, and the dynamical information about desorption products is obtained from optical measurements of the quantum states, yields and velocity distributions of neutral ground-state and excited-state atoms ejected from the surface of the irradiating material. These studies have shown that the dominant exit channels in photon-induced particle emission are those producing ground-state and excited-state neutral atoms. Using dynamical information about these desorbing neutral species, obtained, for example, by laser-induced fluorescence and laser Doppler spectroscopy, we are generating an increasingly comprehensive picture of the dynamics of electronic energy flow into and out of pure crystalline surfaces in these prototypical dielectrics. We are also beginning to be able to relate desorption dynamics to specific materials properties, and to discriminate between pure surface and near-surface effects in these materials. Applications of these techniques to the problem of photon-induced surface damage and to analysis of surface dynamics in dielectric materials are discussed, and the relationships between these nearly ideal model materials and the non-crystalline, covalently bonded materials more typical of real optical elements are pointed out. 19 refs., 13 figs

  6. 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

  7. Thermoluminescence in alkali halides irradiated at 80K

    International Nuclear Information System (INIS)

    Jimenez de Castro, M.

    1978-01-01

    The thermoluminescence, the thermally stimulated currents and the thermal stability of the F centres induced in pure NaCl and KC1 crystals by X irradiation at 80K have been studied in detail, in the range between 80 and 300K. The thermoluminescent processes induced by illumination at 80K with F light in samples previously irradiated at room temperature has also been studied. It has been clearly observed the existence of thermoluminescent processes due to electrons and holes thermally released from traps, in which the F centres are not involved. The existence of hole-F centre recombination has not been observed. There are several thermoluminescent processes in both materials which are scribed to the recombination of F centres with mobile interstitial halogen atoms thermally released from traps, which are likely monovalent impurities in this temperature interval. The light emitting stage in these processes is originated by the formation of self trapped excitons. (Author) 66 refs

  8. 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

  9. Repulsive energy and the Grueneisen parameter of alkali halides calculated on the basis of a quantum-statistical ab initio theory

    International Nuclear Information System (INIS)

    Kucharczyk, M.; Olszewski, S.

    1982-01-01

    The Grueneisen parameter of alkali halides is calculated by an ab initio quantum-statistical method and then compared with the experimental data. The crystal model applied assumes the crystal ions to be compressible but impenetrable spheres. The ions are described with the aid of a modified Thomas-Fermi theory with exchange. At the next step it is possible to calculate the energy needed to transform the system of the non-interacting ions into the ionic system represented by the crystal lattice. This calculation allows for an ab initio estimate of the parameters entering the Born, or the Born-Mayer, repulsive part of the crystal energy. The parameters are then used in the calculation of the Grueneisen parameter and its dependence on the crystal compression. (author)

  10. 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.

  11. Development and melt growth of novel scintillating halide crystals

    Czech Academy of Sciences Publication Activity Database

    Yoshikawa, A.; Yokota, Y.; Shoji, Y.; Král, Robert; Kamada, K.; Kurosawa, S.; Ohashi, Y.; Arakawa, M.; Chani, V.I.; Kochurikhin, V.V.; Yamaji, A.; Medvedev, A.; Nikl, Martin

    2017-01-01

    Roč. 74, Dec (2017), s. 109-119 ISSN 0925- 3467 Institutional support: RVO:68378271 Keywords : scintillator * halide * crystal growth from the melt * Bridgman method * Czochralski method * edge-defined film-fed method * micro-pulling-down method Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.238, year: 2016

  12. Ground-state properties and optical excitations of a solvated electron in molten alkali halides

    International Nuclear Information System (INIS)

    Roman, E.; Senatore, G.; Tosi, M.P.; Trieste Univ.

    1983-09-01

    Properties of solvated electrons at high dilution in four molten alkali halides are investigated theoretically. A self-consistent evaluation of the bound ground state of the electron and of the surrounding liquid structure, already developed in a previous paper, is compared with the results of NMR hyperfine shifts and magnetic susceptibility measurements. The absorption bands associated with Franck-Condon 1s→2p and 1s→3p transitions are calculated and compared with the available data of optical absorption, with special emphasis on the detailed analysis by Yuh and Nachtrieb for molten CsCl. An instability of the excited states against ionic relaxation and the origin of a finite lifetime for the ground state are also discussed. Finally, the perturbation induced by the solvated electron in the fundamental absorption of the molten salt is estimated. (author)

  13. Simple electrolyte solutions: Comparison of DRISM and molecular dynamics results for alkali halide solutions

    Science.gov (United States)

    Joung, In Suk; Luchko, Tyler; Case, David A.

    2013-01-01

    Using the dielectrically consistent reference interaction site model (DRISM) of molecular solvation, we have calculated structural and thermodynamic information of alkali-halide salts in aqueous solution, as a function of salt concentration. The impact of varying the closure relation used with DRISM is investigated using the partial series expansion of order-n (PSE-n) family of closures, which includes the commonly used hypernetted-chain equation (HNC) and Kovalenko-Hirata closures. Results are compared to explicit molecular dynamics (MD) simulations, using the same force fields, and to experiment. The mean activity coefficients of ions predicted by DRISM agree well with experimental values at concentrations below 0.5 m, especially when using the HNC closure. As individual ion activities (and the corresponding solvation free energies) are not known from experiment, only DRISM and MD results are directly compared and found to have reasonably good agreement. The activity of water directly estimated from DRISM is nearly consistent with values derived from the DRISM ion activities and the Gibbs-Duhem equation, but the changes in the computed pressure as a function of salt concentration dominate these comparisons. Good agreement with experiment is obtained if these pressure changes are ignored. Radial distribution functions of NaCl solution at three concentrations were compared between DRISM and MD simulations. DRISM shows comparable water distribution around the cation, but water structures around the anion deviate from the MD results; this may also be related to the high pressure of the system. Despite some problems, DRISM-PSE-n is an effective tool for investigating thermodynamic properties of simple electrolytes. PMID:23387564

  14. Photodissociation comprehensive study of OH- on alkali halides and their interaction with colour centers

    International Nuclear Information System (INIS)

    Gomes, L.

    1985-01-01

    This work shows that the OH - defect induces changes in the electronics processes of the alkali halides such as in radiation damage and optical cycles of colour centers. Two cases were considered: with the presence of an OH - ion in the (1) excited state and (2) in the ground state; 1) the comprehensive study of resonant OH - photodissociation in several hosts showed that deep traps (for electrons) can be produced from the OH - dissociation. These traps can be effective for the capture of electrons produced in the radiation damage of the lattice as well as for trapping electrons from ionized color centers. It was observed a second channel (new) for the de-excitation of the (OH - )* molecule in KI and RbI. This effect can be effective only when the lattice around the molecule holds a large enough interstitial space. This new mechanism is responsible for the strong production at LNT of F centers and OH 0 molecules at the expenses of OH - defects. Considering the complete investigation of the full cycle it was proposed a phenomenological model that would explain the observed behaviour when one covers a wide variation of lattice parameters (KCl -> RbI); 2) It was verified that the OH - ion present in the lattice induces strong changes in the de-excitation processes of electronic defects with a spread out wave function (like F centers). A change in the reorientation behaviour of excited F 2 and F + 2 centers was also verified. Two main effects should be mentioned: A) The induced de-excitation is very fast and non-radiative on F centers. B) Another type of system investigated (F 2 and F + 2 ) has shown an intense increase of the speed of reorientation of the F 2 and F + 2 excited centers. (autor) [pt

  15. 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.

  16. Dependences of molar volumes in solids, partial molal and hydrated ionic volumes of alkali halides on covalent and ionic radii and the golden ratio

    Czech Academy of Sciences Publication Activity Database

    Heyrovská, Raji

    2007-01-01

    Roč. 436, č. 1-3 (2007), s. 287-293 ISSN 0009-2614 R&D Projects: GA MŠk(CZ) LC06035 Institutional research plan: CEZ:AV0Z50040702 Keywords : alkali halides * ionic hydration * golden ratio Subject RIV: BO - Biophysics Impact factor: 2.207, year: 2007

  17. A self-consistent model for the electronic structure of the u-center in alkali-halides

    International Nuclear Information System (INIS)

    Koiller, B.; Brandi, H.S.

    1978-01-01

    A simple one-orbital per site model Hamiltonian for the U center in alkali-halides with rock-salt structure where correlation effects are introduced via an Anderson type Hamiltonian is presented. The Cluster-Bethe lattice method is used to determine the local density of states, yielding both localized and extended states. A one-electron approximation is assumed and the problem is solved self consistently in the Hartree-Fock scheme. The optical excitation energy is in fair agreement with experiment. The present approach is compared with other models previously used to describe this center and the results indicate that is adequately incorporates the relevant features of the system indicating the possibility of its application to other physical situations [pt

  18. A Review of Luminescent Anionic Nano System: d10 Metallocyanide Excimers and Exciplexes in Alkali Halide Hosts

    Directory of Open Access Journals (Sweden)

    Howard H. Patterson

    2013-06-01

    Full Text Available Dicyanoaurate, dicyanoargentate, and dicyanocuprate ions in solution and doped in different alkali halide hosts exhibit interesting photophysical and photochemical behavior, such as multiple emission bands, exciplex tuning, optical memory, and thermochromism. This is attributed to the formation of different sizes of nanoclusters in solution and in doped hosts. A series of spectroscopic methods (luminescence, UV-reflectance, IR, and Raman as well as theoretical calculations have confirmed the existence of excimers and exciplexes. This leads to the tunability of these nano systems over a wide wavelength interval. The population of these nanoclusters varies with temperature and external laser irradiation, which explains the thermochromism and optical memory. DFT calculations indicate an MLCT transition for each nanocluster and the emission energy decreases with increasing cluster size. This is in agreement with the relatively long life-time for the emission peaks and the multiple emission peaks dependence upon cluster concentration.

  19. A Review of Luminescent Anionic Nano System: d10Metallocyanide Excimers and Exciplexes in Alkali Halide Hosts.

    Science.gov (United States)

    Li, Xiaobo; Patterson, Howard H

    2013-06-25

    Dicyanoaurate, dicyanoargentate, and dicyanocuprate ions in solution and doped in different alkali halide hosts exhibit interesting photophysical and photochemical behavior, such as multiple emission bands, exciplex tuning, optical memory, and thermochromism. This is attributed to the formation of different sizes of nanoclusters in solution and in doped hosts. A series of spectroscopic methods (luminescence, UV-reflectance, IR, and Raman) as well as theoretical calculations have confirmed the existence of excimers and exciplexes. This leads to the tunability of these nano systems over a wide wavelength interval. The population of these nanoclusters varies with temperature and external laser irradiation, which explains the thermochromism and optical memory. DFT calculations indicate an MLCT transition for each nanocluster and the emission energy decreases with increasing cluster size. This is in agreement with the relatively long life-time for the emission peaks and the multiple emission peaks dependence upon cluster concentration.

  20. Development of processes for the production of solar grade silicon from halides and alkali metals, phase 1 and phase 2

    Science.gov (United States)

    Dickson, C. R.; Gould, R. K.; Felder, W.

    1981-01-01

    High temperature reactions of silicon halides with alkali metals for the production of solar grade silicon are described. Product separation and collection processes were evaluated, measure heat release parameters for scaling purposes and effects of reactants and/or products on materials of reactor construction were determined, and preliminary engineering and economic analysis of a scaled up process were made. The feasibility of the basic process to make and collect silicon was demonstrated. The jet impaction/separation process was demonstrated to be a purification process. The rate at which gas phase species from silicon particle precursors, the time required for silane decomposition to produce particles, and the competing rate of growth of silicon seed particles injected into a decomposing silane environment were determined. The extent of silane decomposition as a function of residence time, temperature, and pressure was measured by infrared absorption spectroscopy. A simplistic model is presented to explain the growth of silicon in a decomposing silane enviroment.

  1. Local polar fluctuations in lead halide perovskite crystals

    International Nuclear Information System (INIS)

    Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.; Egger, David A.; Hull, Trevor

    2017-01-01

    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 (CH 3 NH 3 PbBr 3 ) and all-inorganic (CsPbBr 3 ) 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. Furthermore, 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 CsPbBr 3 .

  2. 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 .

  3. 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

  4. Tunable Crystal-to-Crystal Phase Transition in a Cadmium Halide Chain Polymer

    Directory of Open Access Journals (Sweden)

    Ulli Englert

    2011-07-01

    Full Text Available The chain polymer [{Cd(μ-X2py2}1∞] (X = Cl, Br; py = pyridine undergoes a fully reversible phase transition between a monoclinic low-temperature and an orthorhombic high-temperature phase. The transformation can be directly monitored in single crystals and can be confirmed for the bulk by powder diffraction. The transition temperature can be adjusted by tuning the composition of the mixed-halide phase: Transition temperatures between 175 K up to the decomposition of the material at ca. 350 K are accessible. Elemental analysis, ion chromatography and site occupancy refinements from single-crystal X-ray diffraction agree with respect to the stoichiometric composition of the samples.

  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. 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

  7. On the interpretation of luminescence of lead halide crystals

    Czech Academy of Sciences Publication Activity Database

    Babin, V.; Krasnikov, A.; Nikl, Martin; Stolovits, A.; Zazubovich, S.

    2002-01-01

    Roč. 229, č. 3 (2002), s. 1295-1304 ISSN 0370-1972 Institutional research plan: CEZ:AV0Z1010914 Keywords : luminescence * lead halide * exciton Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.930, year: 2002

  8. Ion transport in Au doped/undoped KDP crystals with KI/NaI as ...

    Indian Academy of Sciences (India)

    Unknown

    8 : 2. Au+ doped crystals were grown by adding a definite volume of tetra-auro chloric acid solution to the mixture .... because ionic conductivity of alkali halides is lower than that of KDP crystals. Addition of higher concentration of alkali halides has resulted in lower σ. Present experimen- tal results are in line with the above ...

  9. An Investigation of Ion-Pairing of Alkali Metal Halides in Aqueous Solutions Using the Electrical Conductivity and the Monte Carlo Computer Simulation Methods.

    Science.gov (United States)

    Gujt, Jure; Bešter-Rogač, Marija; Hribar-Lee, Barbara

    2014-02-01

    The ion pairing is, in very dilute aqueous solutions, of rather small importance for solutions' properties, which renders its precise quantification quite a laborious task. Here we studied the ion pairing of alkali halides in water by using the precise electric conductivity measurements in dilute solutions, and in a wide temperature range. The low-concentration chemical model was used to analyze the results, and to estimate the association constant of different alkali halide salts. It has been shown that the association constant is related to the solubility of salts in water and produces a 'volcano relationship', when plotted against the difference between the free energy of hydration of the corresponding individual ions. The computer simulation, using the simple MB+dipole water model, were used to interprete the results, to find a microscopic basis for Collins' law of matching water affinities.

  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. Ca-Fe and Alkali-Halide Alteration of an Allende Type B CAI: Aqueous Alteration in Nebular or Asteroidal Settings

    Science.gov (United States)

    Ross, D. K.; Simon, J. I.; Simon, S. B.; Grossman, L.

    2012-01-01

    Ca-Fe and alkali-halide alteration of CAIs is often attributed to aqueous alteration by fluids circulating on asteroidal parent bodies after the various chondritic components have been assembled, although debate continues about the roles of asteroidal vs. nebular modification processes [1-7]. Here we report de-tailed observations of alteration products in a large Type B2 CAI, TS4 from Allende, one of the oxidized subgroup of CV3s, and propose a speculative model for aqueous alteration of CAIs in a nebular setting. Ca-Fe alteration in this CAI consists predominantly of end-member hedenbergite, end-member andradite, and compositionally variable, magnesian high-Ca pyroxene. These phases are strongly concentrated in an unusual "nodule" enclosed within the interior of the CAI (Fig. 1). The Ca, Fe-rich nodule superficially resembles a clast that pre-dated and was engulfed by the CAI, but closer inspection shows that relic spinel grains are enclosed in the nodule, and corroded CAI primary phases interfinger with the Fe-rich phases at the nodule s margins. This CAI also contains abundant sodalite and nepheline (alkali-halide) alteration that occurs around the rims of the CAI, but also penetrates more deeply into the CAI. The two types of alteration (Ca-Fe and alkali-halide) are adjacent, and very fine-grained Fe-rich phases are associated with sodalite-rich regions. Both types of alteration appear to be replacive; if that is true, it would require substantial introduction of Fe, and transport of elements (Ti, Al and Mg) out of the nodule, and introduction of Na and Cl into alkali-halide rich zones. Parts of the CAI have been extensively metasomatized.

  12. Electron binding energies of aqueous alkali and halide ions: EUV photoelectron spectroscopy of liquid solutions and combined ab initio and molecular dynamics calculations.

    Science.gov (United States)

    Winter, Bernd; Weber, Ramona; Hertel, Ingolf V; Faubel, Manfred; Jungwirth, Pavel; Brown, Eric C; Bradforth, Stephen E

    2005-05-18

    Photoelectron spectroscopy combined with the liquid microjet technique enables the direct probing of the electronic structure of aqueous solutions. We report measured and calculated lowest vertical electron binding energies of aqueous alkali cations and halide anions. In some cases, ejection from deeper electronic levels of the solute could be observed. Electron binding energies of a given aqueous ion are found to be independent of the counterion and the salt concentration. The experimental results are complemented by ab initio calculations, at the MP2 and CCSD(T) level, of the ionization energies of these prototype ions in the aqueous phase. The solvent effect was accounted for in the electronic structure calculations in two ways. An explicit inclusion of discrete water molecules using a set of snapshots from an equilibrium classical molecular dynamics simulations and a fractional charge representation of solvent molecules give good results for halide ions. The electron binding energies of alkali cations computed with this approach tend to be overestimated. On the other hand, the polarizable continuum model, which strictly provides adiabatic binding energies, performs well for the alkali cations but fails for the halides. Photon energies in the experiment were in the EUV region (typically 100 eV) for which the technique is probing the top layers of the liquid sample. Hence, the reported energies of aqueous ions are closely connected with both structures and chemical reactivity at the liquid interface, for example, in atmospheric aerosol particles, as well as fundamental bulk solvation properties.

  13. Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Vlcek, Lukas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Uhlik, Filip [Charles Univ., Prague (Czech Republic); Moucka, Filip [Purkinje Univ. (Czech Republic); Nezbeda, Ivo [Purkinje Univ. (Czech Republic); Academy of Sciences of the Czech Republic (ASCR), Prague (Czech Republic); Chialvo, Ariel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-12-16

    We evaluate the ability of selected classical molecular models to describe the thermodynamic and structural aspects of gas-phase hydration of alkali halide ions and the formation of small water clusters. To understand the effect of many-body interactions (polarization) and charge penetration effects on the accuracy of a force field, we perform Monte Carlo simulations with three rigid water models using different functional forms to account for these effects: (i) point charge non-polarizable SPC/E, (ii) Drude point charge polarizable SWM4- DP, and (iii) Drude Gaussian charge polarizable BK3. Model predictions are compared with experimental Gibbs free energies and enthalpies of ion hydration, and with microscopic structural properties obtained from quantum DFT calculations. We find that all three models provide comparable predictions for pure water clusters and cation hydration, but differ significantly in their description of anion hydration. None of the investigated classical force fields can consistently and quantitatively reproduce the experimental gas phase hydration thermodynamics. The outcome of this study highlights the relation between the functional form that describes the effective intermolecular interactions and the accuracy of the resulting ion hydration properties.

  14. Photochemistry and reactions of OH- defects and F centers in alkali halides

    International Nuclear Information System (INIS)

    Morato, S.P.; Luety, F.

    1978-01-01

    Aditively colored KCl:OH - crystals showed under a combined UV and VIS irradiation, a nearly complete and irreversible destruction of all F centers and visible absorption in the crystal. Only upon heating the crystal above 650 0 C the F center coloration becomes partially restored. The photodissociation of the OH - (under UV light) together with the photoionization of the F center (under VIS light) produces a not effects where all the F centers are converted into U centers. These photoreactions produces high contrast visible images that are completely stable under light at RT. Besides the optical information storage aspect of this effect these photoreaction s can also be used for controlled production of Usub(A) centers if the crystal also contains a foreign metallic impurity such a Na + ion [pt

  15. The Role of Surface Tension in the Crystallization of Metal Halide Perovskites

    KAUST Repository

    Zhumekenov, Ayan A.

    2017-07-06

    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 bottlenecks retarding the shift towards single crystal-based optoelectronics. Here we theoretically and experimentally elucidate the role of surface tension in the rapid synthesis of perovskite single crystals by inverse temperature crystallization (ITC). Understanding the nucleation and growth mechanisms enabled us to exploit surface tension to direct the growth of monocrystalline films of perovskites (AMX3, where A = CH3NH3+ or MA; M = Pb2+, Sn2+; X = Br-, I-) on the solution surface. We achieve up to 1 cm2-sized monocrystalline films with thickness on the order of the charge carrier diffusion length (~5-10 µm). Our work paves the way to control the crystallization process of perovskites, including thin film deposition, which is essential to advance the performance benchmarks of perovskite optoelectronics.

  16. Large Silver Halide Single Crystals as Charged Particle Track Detectors

    Science.gov (United States)

    Kusmiss, J. H.

    1972-01-01

    The trajectory of the particle is made visible under a microscope by the accumulation of metallic silver at regions of the lattice damaged by the particle. This decoration of the particle track is accomplished by exposure of the crystal to light. The decoration of normally present lattice imperfections such as dislocations can be suppressed by the addition to the crystal of less than ten parts per million of a suitable polyvalent metal impurity. An account of some preliminary attempts to grow thin single crystals of AgCl is given also, and suggestions for a more refined technique are offered.

  17. Thermoluminescence in alkali halides irradiated at 80K; Termoluminiscencia en haluros alcalinos irradiados a 80K

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez de Castro, M.

    1978-07-01

    The thermoluminescence, the thermally stimulated currents and the thermal stability of the F centres induced in pure NaCl and KC1 crystals by X irradiation at 80K have been studied in detail, In the range between 80 and 300K. The thermoluminescent processes induced by illumination at 80K with F light in samples previously irradiated at room temperature has also been studied. It has been clearly observed the existence of thermoluminescent processes due to electrons and holes thermally released from traps, in which the F centres are not involved. The existence of hole-F centre recombination has not been observed. There are several thermoluminescent processes in both materials which are scribed to the recombination of F centres with mobile interstitial halogen atoms thermally released from traps, which are likely monovalent impurities in this temperature interval. The light emitting stage in these processes is originated by the formation of self trapped excitons. (Author) 66 refs.

  18. Differential calorimeter and temperature controller for stored energy measurements in irradiated alkali halides

    International Nuclear Information System (INIS)

    Delgado Martinez, L.

    1977-01-01

    The design and performance of a simple temperature-controlled differential calorimeter are presented. This system allows to measure radiation-induced stored energy in insulators, above room temperature with a differential thermal analysis method. With platelets of KC1 single crystals, the base lines obtained for T 2 T 1 (with T 2 : irradiated sample temperature and T 1 : reference sample temperature) show a smooth drift less of 0,2 degree centigree in the interval from 25 to 400 degree centigree. The discrepancy between two consecutive base lines is less than ± 0,02 degree centigree which implies a calorimeter sensitivity of about ±0,004 cal/g. This sensitivity allows to measure stored energy release in samples with a color center concentration low enough to be directly measured with a spectrophotometer so that a search for correlations among the features of the stored energy spectrum and the color center annealing can be made. (Author) 13 refs

  19. The nature of dynamic disorder in lead halide perovskite crystals (Conference Presentation)

    Science.gov (United States)

    Yaffe, Omer; Guo, Yinsheng; Hull, Trevor; Stoumpos, Costas; Tan, Liang Z.; Egger, David A.; Zheng, Fan; Szpak, Guilherme; Semonin, Octavi E.; Beecher, Alexander N.; Heinz, Tony F.; Kronik, Leeor; Rappe, Andrew M.; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Pimenta, Marcos A.; Brus, Louis E.

    2016-09-01

    We combine low frequency Raman scattering measurements with first-principles molecular dynamics (MD) to study the nature of dynamic disorder in hybrid lead-halide perovskite crystals. We conduct a comparative study between a hybrid (CH3NH3PbBr3) and an all-inorganic lead-halide perovskite (CsPbBr3). Both are of the general ABX3 perovskite formula, and have a similar band gap and structural phase sequence, orthorhombic at low temperature, changing first to tetragonal and then to cubic symmetry as temperature increases. In the high temperature phases, we find that both compounds show a pronounced Raman quasi-elastic central peak, indicating that both are dynamically disordered.

  20. Epitaxial growth of pentacene on alkali halide surfaces studied by Kelvin probe force microscopy.

    Science.gov (United States)

    Neff, Julia L; Milde, Peter; León, Carmen Pérez; Kundrat, Matthew D; Eng, Lukas M; Jacob, Christoph R; Hoffmann-Vogel, Regina

    2014-04-22

    In the field of molecular electronics, thin films of molecules adsorbed on insulating surfaces are used as the functional building blocks of electronic devices. Control of the structural and electronic properties of the thin films is required for reliably operating devices. Here, noncontact atomic force and Kelvin probe force microscopies have been used to investigate the growth and electrostatic landscape of pentacene on KBr(001) and KCl(001) surfaces. We have found that, together with molecular islands of upright standing pentacene, a new phase of tilted molecules appears near step edges on KBr. Local contact potential differences (LCPD) have been studied with both Kelvin experiments and density functional theory calculations. Our images reveal that differently oriented molecules display different LCPD and that their value is independent of the number of molecular layers. These results point to the formation of an interface dipole, which may be explained by a partial charge transfer from the pentacene to the surface. Moreover, the monitoring of the evolution of the pentacene islands shows that they are strongly affected by dewetting: Multilayers build up at the expense of monolayers, and in the Kelvin images, previously unknown line defects appear, which reveal the epitaxial growth of pentacene crystals.

  1. New halides of neodymium and their crystal structures

    International Nuclear Information System (INIS)

    Loechner, U.

    1980-01-01

    The crystal structures of the peritectic phases NdClsub(2.27) (t-phase) and NdClsub(2.37) (rh-phase) were determined. The structure of the rh-phase was solved, from the t-phase only the elementary cell could be determined because no single crystals of sufficient quality were obtained. Jutting out feature of the rh-phase which has to be formulated as Nd 14 Cl 32 O is a polyeder cluster of 6 quadratic antiprisms the inner cubo octahedric cavity of which is occupied by an oxygen atom. The linkage of these polyeder cluster ensues only under each other along the triple axis of the rhomboedric system over 3 upper and 3 lower common borders each. Therewith for the first time a superlattice of the fluorite-type was found in which this unit exclusively occurs. The type of linkage of polyeder clusters causes the occurrence of an exceptional polyeder around the twovalent Nd ions which can be looked at as a zwitter polyeder of icosahedron and cube and therefore coordinates tenfold the twovalent neodymium. The strict order of chemically and crystallografically clearly differentiated cations is expressed by a hexagonal-rhomboedric superstructure of the fluorite-aristotyp with a doubled c-axis. The phase diagram of the system Nd-NdBr 3 was determined and a structure proposition was worked out for the first Vernier phase in there with n=4 of the series Lnsub(n)Xsub(2n+1). (SPI)

  2. Crystal structures of model lithium halides in bulk phase and in clusters

    Science.gov (United States)

    Lanaro, G.; Patey, G. N.

    2017-04-01

    We employ lattice energy calculations and molecular dynamics simulations to compare the stability of wurtzite and rock salt crystal structures of four lithium halides (LiF, LiCl, LiBr, and LiI) modeled using the Tosi-Fumi and Joung-Cheatham potentials, which are models frequently used in simulation studies. Both infinite crystals and finite clusters are considered. For the Tosi-Fumi model, we find that all four salts prefer the wurtzite structure both at 0 K and at finite temperatures, in disagreement with experiments, where rock salt is the stable structure and wurtzite exists as a metastable state. For Joung-Cheatham potentials, rock salt is more stable for LiF and LiCl, but the wurtzite structure is preferred by LiBr and LiI. It is clear that the available lithium halide force fields need improvement to bring them into better accord with the experiment. Finite-size clusters that are more stable as rock salt in the bulk phase tend to solidify as small rock salt crystals. However, small clusters of salts that prefer the wurtzite structure as bulk crystals tend to form structures that have hexagonal motifs, but are not finite-size wurtzite crystals. We show that small wurtzite structures are unstable due to the presence of a dipole and rearrange into more stable, size-dependent structures. We also show that entropic contributions can act in favor of the wurtzite structure at higher temperatures. The possible relevance of our results for simulation studies of crystal nucleation from melts and/or aqueous solutions is discussed.

  3. 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.)

  4. F center-molecular ion couples in alkali halides: Magneto-optics study (part two). Spin lattice relaxation time and electron spin memory; Studi di magnetoottica sulla coppia centro F-ione molecolare negli alogenuri alcalini: Parte 2. Misura del tempo di rilassamento spin-reticolo e della memoria di spin dell`elettrone nel ciclo ottico

    Energy Technology Data Exchange (ETDEWEB)

    Baldacchini, G.; Botti, S.; Grassano, U.M.; Luty, F.

    1991-10-01

    The spin-lattice relaxation time in the ground state, T/sub 1/, and the spin-mixing parameter during the optical cycle, epsilon, were measured in FH(OH) and FH(CN) centers in various alkali halides (KCl, KBr, KI, CsCl, and CsBr). For a close comparison, all experiments were performed before and after the optical association of the F center and molecular ion. T/sub 1/ becomes shorter before and still more after aggregation with respect to the values measured in the pure crystal, especially at very low magnetic fields. Epsilon decreases a little in crystals doped with OH-, while it increases a lot in crystals doped with CN-. Part of these results can be interpreted within the actual knowledge of the F-center physics. Part have been used to shed some light on the various unknown aspects of the energy transfer between the excited F-center and the molecular ion.

  5. Capacitance of the double electrical layer on the copper-group metals in molten alkali metal halides

    Science.gov (United States)

    Kirillova, E. V.; Stepanov, V. P.

    2016-08-01

    The electrochemical impedance is measured to study the capacitance of the double electrical layer of metallic Au, Ag, and Cu as a function of potential and temperature in nine molten salts, namely, the chlorides, bromides, and iodides of sodium, potassium, and cesium. The C- E curve of a gold electrode has an additional minimum in the anodic branch. This minimum for silver is less pronounced and is only observed at low ac signal frequencies in cesium halides. The additional minimum is not detected for copper in any salt under study. This phenomenon is explained on the assumption that the adsorption of halide anions on a positively charged electrode surface has a predominantly chemical rather than an electrostatic character. The specific adsorption in this case is accompanied by charge transfer through the interface and the formation of an adsorbent-adsorbate covalent bond.

  6. Band-structure calculations of noble-gas and alkali halide solids using accurate Kohn-Sham potentials with self-interaction correction

    International Nuclear Information System (INIS)

    Li, Y.; Krieger, J.B.; Norman, M.R.; Iafrate, G.J.

    1991-01-01

    The optimized-effective-potential (OEP) method and a method developed recently by Krieger, Li, and Iafrate (KLI) are applied to the band-structure calculations of noble-gas and alkali halide solids employing the self-interaction-corrected (SIC) local-spin-density (LSD) approximation for the exchange-correlation energy functional. The resulting band gaps from both calculations are found to be in fair agreement with the experimental values. The discrepancies are typically within a few percent with results that are nearly the same as those of previously published orbital-dependent multipotential SIC calculations, whereas the LSD results underestimate the band gaps by as much as 40%. As in the LSD---and it is believed to be the case even for the exact Kohn-Sham potential---both the OEP and KLI predict valence-band widths which are narrower than those of experiment. In all cases, the KLI method yields essentially the same results as the OEP

  7. Positrons in ionic crystals

    International Nuclear Information System (INIS)

    Pareja, R.

    1988-01-01

    Positron annihilation experiments in ionic crystals are reviewed and their results are arranged. A discussion about the positron states in these materials is made in the light of these results and the different proposed models. The positronium in alkali halides is specially considered. (Author)

  8. Atomic forces between noble gas atoms, alkali ions, and halogen ions for surface interactions

    Science.gov (United States)

    Wilson, J. W.; Outlaw, R. A.; Heinbockel, J. H.

    1988-01-01

    The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base developed from analysis of the two-body potential data, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas surfaces and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

  9. [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.

  10. Characterization of an alkali- and halide-resistant laccase expressed in E. coli: CotA from Bacillus clausii.

    Directory of Open Access Journals (Sweden)

    Søren Brander

    Full Text Available The limitations of fungal laccases at higher pH and salt concentrations have intensified the search for new extremophilic bacterial laccases. We report the cloning, expression, and characterization of the bacterial cotA from Bacillus clausii, a supposed alkalophilic ortholog of cotA from B. subtilis. Both laccases were expressed in E. coli strain BL21(DE3 and characterized fully in parallel for strict benchmarking. We report activity on ABTS, SGZ, DMP, caffeic acid, promazine, phenyl hydrazine, tannic acid, and bilirubin at variable pH. Whereas ABTS, promazine, and phenyl hydrazine activities vs. pH were similar, the activity of B. clausii cotA was shifted upwards by ~0.5-2 pH units for the simple phenolic substrates DMP, SGZ, and caffeic acid. This shift is not due to substrate affinity (K(M but to pH dependence of catalytic turnover: The k(cat of B. clausii cotA was 1 s⁻¹ at pH 6 and 5 s⁻¹ at pH 8 in contrast to 6 s⁻¹ at pH 6 and 2 s⁻¹ at pH 8 for of B. subtilis cotA. Overall, k(cat/K(M was 10-fold higher for B. subtilis cotA at pH(opt. While both proteins were heat activated, activation increased with pH and was larger in cotA from B. clausii. NaCl inhibited activity at acidic pH, but not up to 500-700 mM NaCl in alkaline pH, a further advantage of the alkali regime in laccase applications. The B. clausii cotA had ~20 minutes half-life at 80°C, less than the ~50 minutes at 80°C for cotA from B. subtilis. While cotA from B. subtilis had optimal stability at pH~8, the cotA from B. clausii displayed higher combined salt- and alkali-resistance. This resistance is possibly caused by two substitutions (S427Q and V110E that could repel anions to reduce anion-copper interactions at the expense of catalytic proficiency, a trade-off of potential relevance to laccase optimization.

  11. Inorganic Lead Halide Perovskite Single Crystals: Phase-Selective Low-Temperature Growth, Carrier Transport Properties, and Self-Powered Photodetection

    KAUST Repository

    Saidaminov, Makhsud I.

    2016-12-06

    A rapid, low-temperature, and solution-based route is developed for growing large-sized cesium lead halide perovskite single crystals under ambient conditions. An ultralow minority carrier concentration was measured in CsPbBr3 (≈108 holes per cm3, much lower than in any other lead halide perovskite and crystalline silicon), which enables to realize self-powered photodetectors with a high ON/OFF ratio (105).

  12. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)

    Unknown

    nuclear fuel container technology (Fullam 1972). While there is an enormous amount of work on the crystal growth of alkali halides with NaCl structure, work ..... Grateful thanks are due to D E Schuele, Michelson. Professor, Case Western Reserve University, for keeping the expensive CsBr and CsI crystals at our disposal.

  13. Effect of radiation-induced emission of Schottky defects on the formation of colloids in alkali halides

    NARCIS (Netherlands)

    Dubinko, [No Value; Vainshtein, DI; Den Hartog, HW

    2003-01-01

    Formation of vacancy clusters in irradiated crystals is considered taking into account radiation-induced Schottky defect emission (RSDE) from extended defects. RSDE acts in the opposite direction compared with Frenkel pair production, and it results in the radiation-induced recovery processes. In

  14. Structure and Growth Control of Organic–Inorganic Halide Perovskites for Optoelectronics: From Polycrystalline Films to Single Crystals

    Science.gov (United States)

    Chen, Yani; He, Minhong; Peng, Jiajun; Sun, Yong

    2016-01-01

    Recently, organic–inorganic halide perovskites have sparked tremendous research interest because of their ground‐breaking photovoltaic performance. The crystallization process and crystal shape of perovskites have striking impacts on their optoelectronic properties. Polycrystalline films and single crystals are two main forms of perovskites. Currently, perovskite thin films have been under intensive investigation while studies of perovskite single crystals are just in their infancy. This review article is concentrated upon the control of perovskite structures and growth, which are intimately correlated for improvements of not only solar cells but also light‐emitting diodes, lasers, and photodetectors. We begin with the survey of the film formation process of perovskites including deposition methods and morphological optimization avenues. Strategies such as the use of additives, thermal annealing, solvent annealing, atmospheric control, and solvent engineering have been successfully employed to yield high‐quality perovskite films. Next, we turn to summarize the shape evolution of perovskites single crystals from three‐dimensional large sized single crystals, two‐dimensional nanoplates, one‐dimensional nanowires, to zero‐dimensional quantum dots. Siginificant functions of perovskites single crystals are highlighted, which benefit fundamental studies of intrinsic photophysics. Then, the growth mechanisms of the previously mentioned perovskite crystals are unveiled. Lastly, perspectives for structure and growth control of perovskites are outlined towards high‐performance (opto)electronic devices. PMID:27812463

  15. Structure and Growth Control of Organic-Inorganic Halide Perovskites for Optoelectronics: From Polycrystalline Films to Single Crystals.

    Science.gov (United States)

    Chen, Yani; He, Minhong; Peng, Jiajun; Sun, Yong; Liang, Ziqi

    2016-04-01

    Recently, organic-inorganic halide perovskites have sparked tremendous research interest because of their ground-breaking photovoltaic performance. The crystallization process and crystal shape of perovskites have striking impacts on their optoelectronic properties. Polycrystalline films and single crystals are two main forms of perovskites. Currently, perovskite thin films have been under intensive investigation while studies of perovskite single crystals are just in their infancy. This review article is concentrated upon the control of perovskite structures and growth, which are intimately correlated for improvements of not only solar cells but also light-emitting diodes, lasers, and photodetectors. We begin with the survey of the film formation process of perovskites including deposition methods and morphological optimization avenues. Strategies such as the use of additives, thermal annealing, solvent annealing, atmospheric control, and solvent engineering have been successfully employed to yield high-quality perovskite films. Next, we turn to summarize the shape evolution of perovskites single crystals from three-dimensional large sized single crystals, two-dimensional nanoplates, one-dimensional nanowires, to zero-dimensional quantum dots. Siginificant functions of perovskites single crystals are highlighted, which benefit fundamental studies of intrinsic photophysics. Then, the growth mechanisms of the previously mentioned perovskite crystals are unveiled. Lastly, perspectives for structure and growth control of perovskites are outlined towards high-performance (opto)electronic devices.

  16. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

    Science.gov (United States)

    Reif, Maria M.; Hünenberger, Philippe H.

    2011-04-01

    The raw single-ion solvation free energies computed from atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [M. A. Kastenholz and P. H. Hünenberger, J. Chem. Phys. 124, 224501 (2006), 10.1529/biophysj.106.083667; M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144103 (2010)], the application of appropriate correction terms permits to obtain methodology-independent results. The corrected values are then exclusively characteristic of the underlying molecular model including in particular the ion-solvent van der Waals interaction parameters, determining the effective ion size and the magnitude of its dispersion interactions. In the present study, the comparison of calculated (corrected) hydration free energies with experimental data (along with the consideration of ionic polarizabilities) is used to calibrate new sets of ion-solvent van der Waals (Lennard-Jones) interaction parameters for the alkali (Li+, Na+, K+, Rb+, Cs+) and halide (F-, Cl-, Br-, I-) ions along with either the SPC or the SPC/E water models. The experimental dataset is defined by conventional single-ion hydration free energies [Tissandier et al., J. Phys. Chem. A 102, 7787 (1998), 10.1021/jp982638r; Fawcett, J. Phys. Chem. B 103, 11181] along with three plausible choices for the (experimentally elusive) value of the absolute (intrinsic) hydration free energy of the proton, namely, Δ G_hyd^{ominus }[H+] = -1100, -1075 or -1050 kJ mol-1, resulting in three sets L, M, and H for the SPC water model and three sets LE, ME, and HE for the SPC/E water model (alternative sets can easily be interpolated to intermediate Δ G_hyd^{ominus }[H+] values). The residual sensitivity of the calculated (corrected) hydration free energies on the volume-pressure boundary conditions and on the effective ionic radius entering into the calculation of the correction terms is

  17. Electrolytic systems and methods for making metal halides and refining metals

    Science.gov (United States)

    Holland, Justin M.; Cecala, David M.

    2015-05-26

    Disclosed are electrochemical cells and methods for producing a halide of a non-alkali metal and for electrorefining the halide. The systems typically involve an electrochemical cell having a cathode structure configured for dissolving a hydrogen halide that forms the halide into a molten salt of the halogen and an alkali metal. Typically a direct current voltage is applied across the cathode and an anode that is fabricated with the non-alkali metal such that the halide of the non-alkali metal is formed adjacent the anode. Electrorefining cells and methods involve applying a direct current voltage across the anode where the halide of the non-alkali metal is formed and the cathode where the non-alkali metal is electro-deposited. In a representative embodiment the halogen is chlorine, the alkali metal is lithium and the non-alkali metal is uranium.

  18. Zinc(II) halide complexes with 2-methoxyaniline ligand: Synthesis, characterization, thermal analyses, crystal structure determination and luminescent properties

    Science.gov (United States)

    Amani, Vahid

    2018-03-01

    Three new mononuclear zinc(II) complexes, [Zn(2-MeO-C6H4NH2)2X2] (X is Cl in 1, Br in 2 and I in 3), were prepared from the reactions of ZnX2 with 2-methoxyaniline (2-MeO-C6H4NH2) ligand in methanol. Suitable crystals of these complexes were obtained for X-ray diffraction measurements by slow evaporation of methanol solution at room temperature. The three complexes were thoroughly characterized by thermogravimetric analysis, elemental analysis (CHNO), spectral methods (IR, UV-Vis, 13C{1H}NMR, 1H NMR and luminescence), and single crystal X-ray diffraction. The X-ray structural analysis indicated that in the structures of these complexes, the zinc(II) cation is four-coordinated in a distorted tetrahedral configuration by two N atoms from two 2-methoxyanyline ligands and two halide anions. Also, in these complexes intermolecular interactions, for example Nsbnd H⋯X hydrogen bonds (in 1-3), Csbnd H⋯X hydrogen bonds (in 3), Csbnd H⋯π interactions (in 1 and 2) and π⋯π interactions (in 3), are effective in the stabilization of the crystal structures. In addition, the luminescence spectra of all complexes in methanolic solution show that the intensity of their emission bands is stronger than that for free 2-methoxyaniline ligand.

  19. Preparation and Single-Crystal X-Ray Structures of Four Related Mixed-Ligand 4-Methylpyridine Indium Halide Complexes

    Science.gov (United States)

    Hepp, Aloysius F.; Clark, Eric B.; Schupp, John D.; Williams, Jennifer N.; Duraj, Stan A.; Fanwick, Philip E.

    2013-01-01

    We describe the structures of four related indium complexes obtained during synthesis of solid-state materials precursors. Indium adducts of halides and 4-methylpyridine, InX3(pic)3 (X = Cl, Br; pic = 4-methylpyridine) consist of octahedral molecules with meridional (mer) geometry. Crystals of mer-InCl3(pic)3 (1) are triclinic, space group P1(bar) (No. 2), with a = 9.3240(3), b = 13.9580(6), c = 16.7268 (7) A, alpha = 84.323(2), beta = 80.938(2), gamma = 78.274(3)Z = 4, R = 0.035 for 8820 unique reflections. Crystals of mer-InBr3(pic)3 (2) are monoclinic, space group P21/n (No. 14), with a = 15.010(2), b = 19.938(2), c = 16.593(3), beta = 116.44(1)Z = 8, R = 0.053 for 4174 unique reflections. The synthesis and structures of related compounds with phenylsulfide (chloride) (3) and a dimeric complex with bridging hydroxide (bromide) (4) coordination is also described. Crystals of trans-In(SC6H5)Cl2(pic)3 (3) are monoclinic, space group P21/n (No. 14), with a = 9.5265(2), b = 17.8729(6), c = 13.8296(4), beta = 99.7640(15)Z = 4, R = 0.048 for 5511 unique reflections. Crystals of [In(mu-OH)Br2(pic)22 (4) are tetragonal, space group = I41cd (No. 110) with a = 19.8560(4), b = 19.8560(4), c = 25.9528(6), Z = 8, R = 0.039 for 5982 unique reflections.

  20. Luminescence of Er3+ doped double lead halide crystals under X-ray, UV, VIS and IR excitation

    Science.gov (United States)

    Serazetdinov, A. R.; Smirnov, A. A.; Pustovarov, V. A.; Isaenko, L. I.

    2017-09-01

    Er3+ doped double lead halide crystals incorporate a number of properties making them interesting for practical use in light conducting materials. X-ray excited luminescence (XRL) spectra, photoluminescence (PL) spectra in region of 1.5-3.5 eV, photoluminescence excitation (PLE) spectra (2.75-5 eV) and anti-stokes luminescence (ASL) spectra were measured at room temperature in KPb2Cl5 (KPC) and RbPb2Br5 (RPB) matrices doped with Er3+ (1%) ions and in KPC doped with Er3++ Yb3+ ions(1:3 ratio concentration). Intraconfigurational f→f transitions are observed in Er3+ ions in most of the cases. The concrete spectrum form is strongly dependent on the excitation energy. Under 980 nm excitation upper Er3+ levels are excited, showing upconversional processes. In case of 313 nm (UV) and 365 nm (VIS) excitation self trapped exciton luminescence was detected in RPB crystal. Additional Yb3+ doping ions strongly increase quantum yield under 980 nm excitation and this doping cause insignificant influence on quantum yield under VIS or UV excitation.

  1. Tabular silver halide crystals prepared by controlled Ostwald growth in the presence of dimethyl sulphoxide

    Energy Technology Data Exchange (ETDEWEB)

    Dyonizy, A.; Nowak, P.; Mora, C.; Krol-Gracz, A.; Michalak, E. [Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wybrzeze St. Wyspianskiego 27, 50-370 Wroclaw (Poland)

    2010-03-15

    The results of research in the size and shape of silver bromide crystals precipitated by the Ostwald controlled growth method at the presence of dimethyl sulphoxide were presented in the paper. The silver bromide crystals were produced in the form of microcrystal suspension stabilised by gelatine. In the course of the synthesis of crystals, the constant concentration of dimethyl sulphoxide, concentration of excessive bromide ions and the constant ionic strength were achieved. The tabular crystals of silver bromide with their average size of 50 {mu}m and their aspect ratio equal to 100 were obtained by means of this method. The suspensions of flat silver bromide crystals produced in this manner can be used in the production of high-sensitivity materials. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Retrograde solubility of formamidinium and methylammonium lead halide perovskites enabling rapid single crystal growth

    KAUST Repository

    Saidaminov, Makhsud I.

    2015-10-20

    Here we show the retrograde solubility of various hybrid perovskites through the correct choice of solvent(s) and report their solubility curves. Retrograde solubility enables to develop inverse temperature crystallization of FAPbX3 (FA = HC(NH2)2+, X = Br−/I−). FAPbI3 crystals exhibit a 1.4 eV bandgap – considerably narrower than their polycrystalline counterparts.

  3. Optically pumped lasing in single crystals of organometal halide perovskites prepared by cast-capping method

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Van-Cao; Katsuki, Hiroyuki; Yanagi, Hisao, E-mail: yanagi@ms.naist.jp [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Sasaki, Fumio [Electronics and Photonics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)

    2016-06-27

    A simple “cast-capping” method is adopted to prepare single-crystal perovskites of methyl ammonium lead bromide (CH{sub 3}NH{sub 3}PbBr{sub 3}). By capping a CH{sub 3}NH{sub 3}PbBr{sub 3} solution casted on one substrate with another substrate such as glass, mica, and distributed Bragg reflector (DBR), the slow evaporation of solvent enables large-size cubic crystals to grow between the two substrates. Under optical pumping, edge-emitting lasing is observed based on Fabry–Pérot resonation between parallel side facets of a strip-shaped crystal typically with a lateral cavity length of a few tens of μm. On the other hand, vertical-cavity surface-emitting lasing (VCSEL) is obtained from a planar crystal grown between two DBRs with a cavity thickness of a few μm. Simultaneous detection of those edge- and surface-emissions reveals that the threshold excitation fluence of VCSEL is higher than that of the edge-emitting lasing due to thickness gradient in the planar crystal.

  4. Role of the crystallization substrate on the photoluminescence properties of organo-lead mixed halides perovskites

    Directory of Open Access Journals (Sweden)

    Michele De Bastiani

    2014-08-01

    Full Text Available We have fabricated CH3NH3PbI3−xClx perovskite thin films crystallized in situ on substrates of different natures (e.g., porosity, wettability and investigated their photoluminescence properties. We observe that the crystallization time and thin film structure are strongly influenced by the chemical nature and porosity of the substrate. Moreover, we find that the mesoporous scaffold can tune the emissive properties of the semiconducting compound both in terms of spectral region and dynamics. In particular, perovskite crystallites grown in the nanometre size porous scaffold present a shorter-living and blue-shifted emission with respect to the perovskite crystals which are free to grow without any constraints.

  5. The radiation defect accumulation in scintillative crystals of caesium halides under intense electron beam irradiation

    CERN Document Server

    Galiy, P V

    1999-01-01

    The characteristics of defect accumulation and radiolysis at CsI crystals under mean energies of electron irradiation at wide dose rates and ranges of doses have been investigated by such methods: thermostimulated exoelectron emission (TSEE), Auger electron spectroscopy (AES) and optical absorption spectroscopy (OAS). The limit dose rates and absorbed doses of electron irradiation that lead to defects accumulation at room temperature in crystals volume and also surface stoichiometry violation have been evaluated. The doses of electron irradiation that lead to CsI radiolysis, with caesium coagulation in metallic phase have been determined. Some quasi periodic connection of such process with irradiation dose was observed.

  6. Intensity distributions of reflected surface channeling protons scattered on surfaces of electron-bombarded alkali halide crystals

    Science.gov (United States)

    Fukazawa, Y.; Kihara, K.; Iwamoto, K.; Susuki, Y.

    2013-11-01

    We have examined the surface-channeling of 550 keV protons on electron-bombarded KBr(0 0 1) surfaces at grazing incidence. On the surface, electron-stimulated desorption (ESD) resulting from the irradiation of 5 keV electrons changes the surface morphology. In order to investigate the change of the surface morphology, the luminous intensity distributions observed on a fluorescent screen (scattering patterns) of the reflected protons under the surface-channeling conditions are measured. Normalized specular intensity of the protons oscillates, and the results of computer simulations show that the period of the intensity oscillation agrees with the period of layer-by-layer desorption. The measured period of the oscillation is comparable to the simulated one, i.e., the period of the desorption, however, the measured amplitude of the oscillation is weak. This shows that the layer-by-layer desorption of the experimental surface is observed but is not as remarkable as that of the perfect surface introduced in the simulation.

  7. Intensity distributions of reflected surface channeling protons scattered on surfaces of electron-bombarded alkali halide crystals

    Energy Technology Data Exchange (ETDEWEB)

    Fukazawa, Y., E-mail: yukofu@cc.osaka-kyoiku.ac.jp; Kihara, K.; Iwamoto, K.; Susuki, Y.

    2013-11-15

    We have examined the surface-channeling of 550 keV protons on electron-bombarded KBr(0 0 1) surfaces at grazing incidence. On the surface, electron-stimulated desorption (ESD) resulting from the irradiation of 5 keV electrons changes the surface morphology. In order to investigate the change of the surface morphology, the luminous intensity distributions observed on a fluorescent screen (scattering patterns) of the reflected protons under the surface-channeling conditions are measured. Normalized specular intensity of the protons oscillates, and the results of computer simulations show that the period of the intensity oscillation agrees with the period of layer-by-layer desorption. The measured period of the oscillation is comparable to the simulated one, i.e., the period of the desorption, however, the measured amplitude of the oscillation is weak. This shows that the layer-by-layer desorption of the experimental surface is observed but is not as remarkable as that of the perfect surface introduced in the simulation.

  8. Alkali metal ion templated transition metal formate framework materials: synthesis, crystal structures, ion migration, and magnetism.

    Science.gov (United States)

    Eikeland, Espen; Lock, Nina; Filsø, Mette; Stingaciu, Marian; Shen, Yanbin; Overgaard, Jacob; Iversen, Bo Brummerstedt

    2014-10-06

    Four transition metal formate coordination polymers with anionic frameworks, namely, Na[Mn(HCOO)3], K[Mn(HCOO)3], Na2[Cu3(HCOO)8], and K2[Cu5(HCOO)12], were synthesized using a mild solution chemistry approach. Multitemperature single-crystal (100-300 K) and powder X-ray diffraction studies of the compounds reveal structures of large diversity ranging from cubic chiral Na-Mn formate to triclinic Na-Cu formate. The structural variety is caused by the nature of the transition metals, the alkali metal ion templation, and the versatility of the formate group, which offers metal-metal coordination through three different O-C-O bridging modes (syn-syn, syn-anti, anti-anti) in addition to metal-metal bridging via a single oxygen atom. The two manganese(II) compounds contain mononuclear, octahedrally coordinated moieties, but the three-dimensional connectivity between the manganese octahedra is very different in the two structures. The two copper frameworks, in contrast, consist of binuclear and mononuclear moieties (Na-Cu formate) and trinuclear and mononuclear moieties (K-Cu formate), respectively. Procrystal electron density analysis of the compounds indicates one-dimensional K(+)-ion conductivity in K-Mn and K-Cu, and the nature of the proposed potassium ion migration is compared with results from similar analysis on known Na(+) and K(+) ion conductors. K-Mn and Na-Mn were tested as cathode materials, but this resulted in poor reversibility due to low conductivity or structural collapse. The magnetic properties of the compounds were studied by vibrating sample magnetometric measurements, and their thermal stabilities were determined by thermogravimetric analysis and differential thermal analysis. Despite structural differences, the metal formates that contain the same transition metal have similar magnetic properties and thermal decomposition pathways, that is, the nature of the transition metal controls the compound properties.

  9. Halide/pseudohalide complexes of cadmium(II) with benzimidazole: Synthesis, crystal structures and fluorescence properties

    Science.gov (United States)

    Zhao, Hai-Yan; Yang, Fu-Li; Li, Na; Wang, Xiao-Jing

    2017-11-01

    Two new dinuclear Cd(II) complexes, [CdL1Cl2]2·H2O (1) and [CdL1(N3)2]2·CH3OH (2) and one dicyanamide bridged one-dimensional polynuclear network [CdL1(μ1,5-dca)dca]n (3) of the potentially tridentate NNN-donor Schiff base 2-((1H-benzimidazol-2-yl-ethylimino)-methyl)pyridine (L1) and another dinucler Cd(II) complex [CdL2Cl(dca)]2 (4) of a similar NNN-donor Schiff base ligand 2-((1H-benzimidazol-2-yl-propylimino)-methyl)pyridine (L2), have been synthesized and characterized by elemental analyses, IR and single crystal X-ray crystallography. The ligands L1 and L2 are [1 + 1] condensation products of pyridine-2-carbaldehyde with 2-aminoethyl-1H-benzimidazole and 2-aminopropyl-1H-benzimidazole, respectively. In the complexes 1 and 4 the two Cd(II) centers are held together by the bridged chloride ligands, while in 2 the two Cd(II) centers are bridged by μ1,1-azide ions. Complex 3 has a one-dimensional infinite chain structure in which Cd(II) ions are bridged by single dicyanamide groups in end-to-end fashion. All the metal centers have a distorted octahedral geometry and H-bonding or π⋯π interactions are operative to bind the complex units in the solid state. Furthermore, these complexes have been investigated by thermogravimetric analyses and fluorescence spectra.

  10. 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

  11. Alkali-ions diffusion, mullite formation, and crystals dissolution during sintering of porcelain bodies: Microstructural approach

    DEFF Research Database (Denmark)

    Leonelli, C.; Kamseu, E.; Boccaccini, Dino

    2009-01-01

    composition (amount of alkali and alumina) between the two types of porcelain studied influenced the final microstructure: density, pore size and shape, and mullite content. Quartz dissolution was more important in soft porcelain where the mullitization was limited by the low amount of alumina compared...

  12. Metal halide reduction with molten sodium/potassium alloy

    International Nuclear Information System (INIS)

    Martin, W.

    1986-01-01

    A method of obtaining a desired metal, selected from the group consisting of titanium, aluminium, iron, manganese, hafnium, zirconium, tantalum, vanadium, uranium and tungsten, which comprises reacting a halide of the desired metal with an alkali metal reducing agent at temperature at which the reducing agent is molten, in order to produce the desired metal and halide of the metal reducing agent

  13. Ternary Silver Halide Nanocrystals.

    Science.gov (United States)

    Abeyweera, Sasitha C; Rasamani, Kowsalya D; Sun, Yugang

    2017-07-18

    Nanocrystalline silver halides (AgX) such as AgCl, AgBr, and AgI, a class of semiconductor materials with characteristics of both direct and indirect band gaps, represent the most crucial components in traditional photographic processing. The nanocrystal surfaces provide sensitivity specks that can turn into metallic silver, forming an invisible latent image, upon exposure to light. The photographic processing implies that the AgX nanoparticles possess unique properties. First, pristine AgX nanoparticles absorb light only at low efficiency to convert surface AgX into tiny clusters of silver atoms. Second, AgX nanoparticles represent an excellent class of materials to capture electrons efficiently. Third, small metallic silver clusters can catalyze the reduction of AgX nanoparticles to Ag nanoparticles in the presence of mild reducing reagents, known as self-catalytic reduction. These properties indicate that AgX nanoparticles can be partially converted to metallic silver with high precision, leading to the formation of hybrid AgX/Ag nanoparticles. The nanosized metallic Ag usually exhibit intense absorption bands in the visible spectral region due to their strong surface plasmon resonances, which make the AgX/Ag nanoparticles a class of promising visible-light-driven photocatalysts for environmental remediation and CO 2 reduction. Despite the less attention paid to their ability of capturing electrons, AgX nanoparticles might be a class of ideal electron shuttle materials to bridge light absorbers and catalysts on which electrons can drive chemical transformations. In this Account, we focus on ternary silver halide alloy (TSHA) nanoparticles, containing two types of halide ions, which increase the composition complexity of the silver halide nanoparticles. Interdiffusion of halide ions between two types of AgX at elevated temperatures has been developed for fabricating ternary silver halide alloy crystals, such as silver chlorobromide optical fibers for infrared

  14. Charge-compensation effects and their influence on spectroscopic properties of alkali halides doped with ? ions; the case of a NaBr host

    Science.gov (United States)

    Hermanowicz, K.

    1997-02-01

    The Raman scattering, vibrational, electron spin-resonance, electron and luminescence spectra of the 0953-8984/9/6/020/img2 ion in a sodium bromide crystal host are reported. The results indicate that the complex ion is trapped in two nonequivalent symmetries, which have been identified and characterized by the parameters 0953-8984/9/6/020/img3 and D of the spin Hamiltonian and 0953-8984/9/6/020/img4 and B of the crystal field. The IR and Raman spectra are discussed on the basis of possible symmetries of the trapped ion. Following vibrational analysis the vibronic assignment of the phosphorescence spectrum is proposed. The role and influence of the charge-compensational configurations as regards the spectroscopic properties of the chromium (III) ion are analysed.

  15. Growth of PbX2 and CsPbX3 (X = Cl, Br) mesoscopic phases in alkali halide host lattices

    Science.gov (United States)

    Polak, K.; Nitsch, K.; Nikl, M.

    Formation of PbCl2 and CsPbBr3 microphases in NaCl and CsBr respectively is studied using mainly an absorption spectroscopy. The absorption of NaCl: Pb crystal was investigated as a function of annealing temperature and duration of thermal treatment. Changes in the position and shape of the exciton band were studied in CsBr: Pb absorption spectrum. The results showed that the shape of CsPbBr3 microcrystals is far from a spherical one. The microcrystals probably grow as highly elongated discs.

  16. Differential calorimeter and temperature controller for stored energy measurements in irradiated alkali halides; Calorimetro diferencial y controlador de temperatura para medidas de energia almacenada en haluros alcalinos irradiados

    Energy Technology Data Exchange (ETDEWEB)

    Delgado Martinez, L.

    1977-07-01

    The design and performance of a simple temperature-controlled differential calorimeter are presented. This system allows to measure radiation-induced stored energy in insulators, above room temperature with a differential thermal analysis method. With platelets of KC1 single crystals, the base lines obtained for T{sub 2} T{sub 1} (with T{sub 2}: irradiated sample temperature and T{sub 1}: reference sample temperature) show a smooth drift less of 0,2 degree centigree in the interval from 25 to 400 degree centigree. The discrepancy between two consecutive base lines is less than {+-} 0,02 degree centigree which implies a calorimeter sensitivity of about {+-}0,004 cal/g. This sensitivity allows to measure stored energy release in samples with a color center concentration low enough to be directly measured with a spectrophotometer so that a search for correlations among the features of the stored energy spectrum and the color center annealing can be made. (Author) 13 refs.

  17. Peroxynitrite formation by 60Co gamma-ray irradiation of alkali nitrate crystals

    Science.gov (United States)

    Anan'ev, V.; Kriger, L.; Poroshina, M.

    2002-08-01

    Gamma-ray irradiation at 310 K induced formation of the peroxynitrite ion-ONOO - in solid alkali nitrates has been studied. In addition to the peroxynitrite ion one more product (which can be assumed to be the oxonitrate (1-) ion - NO -) is determined by a permanganate potentiometric titration. The change of the total concentration of the two ions vs. the absorbed dose is of oscillation behaviour. The initial radiation yield of peroxynitrite and oxonitrate (1-) are equal to 0.03±0.01, 0.14±0.02, 0.78±0.09 and 1.46±0.20 (100 eV) -1 in NaNO 3, KNO 3, RbNO 3 and CsNO 3, respectively.

  18. Crystal structure and magnetic properties of two new cobalt selenite halides: Co5(SeO3)4 X 2 (X=Cl, Br)

    International Nuclear Information System (INIS)

    Becker, Richard; Prester, Mladen; Berger, Helmuth; Hui Lin, Ping; Johnsson, Mats; Drobac, Djuro; Zivkovic, Ivica

    2007-01-01

    Two new isostructural cobalt selenite halides Co 5 (SeO 3 ) 4 Cl 2 and Co 5 (SeO 3 ) 4 Br 2 have been synthesized. They crystallize in the triclinic system space group P-1 with the following lattice parameters for Co 5 (SeO 3 ) 4 Cl 2 : a=6.4935(8) A, b=7.7288(8) A, c=7.7443(10) A, α=66.051(11) o , β=73.610(11) o , γ=81.268(9) o , and Z=1. The crystal structures were solved from single-crystal X-ray data, R1=3.73 and 4.03 for Co 5 (SeO 3 ) 4 Cl 2 and Co 5 (SeO 3 ) 4 Br 2 , respectively. The new compounds are isostructural to Ni 5 (SeO 3 ) 4 Br 2 . Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range. The anisotropic susceptibility is quantitatively interpreted within the zero-field splitting schemes for Co 2+ and Ni 2+ ions. Sharp low-temperature susceptibility features, at T N =18 and 20 K for Co 5 (SeO 3 ) 4 Cl 2 and Co 5 (SeO 3 ) 4 Br 2 , respectively, are ascribed to antiferromagnetic ordering in a minority magnetic subsystem. In isostructural Ni 5 (SeO 3 ) 4 Br 2 magnetically ordered subsystem represents a majority fraction (T N =46 K). Nevertheless, anisotropic susceptibility of Ni 5 (SeO 3 ) 4 Br 2 is dominated at low temperatures by a minority fraction, subject to single-ion anisotropy effects and increasing population of S z =0 (singlet) ground state of octahedrally coordinated Ni 2+ . - Graphical abstract: Two new iso-structural cobalt selenite halides Co 5 (SeO 3 ) 4 Cl 2 and Co 5 (SeO 3 ) 4 Br 2 have been synthesized which are iso-structural to Ni 5 (SeO 3 ) 4 Br 2 . Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range, revealing significant single-ion anisotropy effects

  19. Absorption Coefficient of Alkali Halides. Part I.

    Science.gov (United States)

    1979-03-01

    transparent region by Hohls [29], Harting [30], Kublitzky [72], and Spangenberg [73], and the infrared region by Randall [74]. Zarzyski and Naudin [75...Index of NaF at Low Temperature," Aspen International Conference on Fourier Spectroscopy (1970), 371-6 (1971). 75. Zarzyski, J. and Naudin , F., "Index

  20. Electrodepositions on Tantalum in Alkali Halide Melts

    DEFF Research Database (Denmark)

    Barner, Jens H. Von; Jensen, Annemette Hindhede; Christensen, Erik

    2013-01-01

    Surface layers of tantalum metal were electrodeposited on steel from K2TaF7-LiF-NaF-KF melts. With careful control of the oxide contents dense and adherent deposits could be obtained by pulse plating. In NaCl-KCl-NaF-Na2CO3 and NaCl-KCl-Na2CO3 melts carbonate ions seems to be reduced to carbon in...

  1. Electrodepositions on Tantalum in alkali halide melts

    DEFF Research Database (Denmark)

    Barner, Jens H. Von; Jensen, Annemette Hindhede; Christensen, Erik

    2012-01-01

    Surface layers of tantalum metal were electrodeposited on steel from K 2TaF7-LiF-NaF-KF melts. With careful control of the oxide contents dense and adherent deposits could be obtained by pulse plating. In NaCl-KCl-NaF-Na2CO3 and NaCl-KCl-Na2CO 3 melts carbonate ions seems to be reduced to carbon ...

  2. Quaternary system of cesium halides

    International Nuclear Information System (INIS)

    Bukhalova, G.A.; Shegurova, G.A.; Yagub'yan, E.S.; Zaporozhets, E.G.

    1977-01-01

    The state diagram of the quaternary system consisting of fluorides, chlorides, bromides, and iodides of cesium has been studied by visual-polythermal, partially X-ray phase and thermographical analyses. The crystallization volume of the quaternary system involves the crystallization volume of cesium fluoride and the crystallization volume of the ternary solid solutions of the rest cesium halides. A quaternary nonvariant point corresponding to melting point 360 deg C appears on the crystallization surface which separates the cesium fluoride volume from the volume of the ternary solid solutions

  3. Photoluminescence Study of the Photoinduced Phase Separation in Mixed-Halide Hybrid Perovskite CH3NH3Pb(BrxI1-x)3 Crystals Synthesized via a Solvothermal Method.

    Science.gov (United States)

    Zhang, Baohua; Guo, Fuqiang; Xue, Junjun; Yang, Lianhong; Zhao, Yafei; Ge, Mei; Cai, Qing; Liu, Bin; Xie, Zili; Chen, Dunjun; Lu, Hai; Zhang, Rong; Zheng, Youdou

    2017-12-18

    We systematically synthesized mixed-halide hybrid perovskite CH 3 NH 3 Pb(Br x I 1-x ) 3 (0 ≤ x ≤ 1) crystals in the full composition range by a solvothermal method. The as-synthesized crystals retained cuboid shapes, and the crystalline structure transitioned from the tetragonal phase to the cubic phase with an increasing Br-ion content. The photoluminescence (PL) of CH 3 NH 3 Pb(Br x I 1-x ) 3 crystals exhibited a continuous variation from red (768 nm) to green (549 nm) with increasing the volume ratio of HBr (V HBr %), corresponding to a variation in the bandgap from 1.61 eV to 2.26 eV. Moreover, the bandgap of the crystals changed nonlinearly as a quadratic function of x with a bowing parameter of 0.53 eV. Notably, the CH 3 NH 3 Pb(Br x I 1-x ) 3 (0.4 ≤ x ≤ 0.6) crystals exhibited obvious phase separation by prolonged illumination. The cause for the phase separation was attributed to the formation of small clusters enriched in lower-band-gap, iodide-rich and higher-band-gap, bromide-rich domains, which induced localized strain to promote halide phase separation. We also clarified the relationship between the PL features and the band structures of the crystals.

  4. Nitrate (chloride) melts as media for crystal growth of complex phosphates of alkali and trivalent metals

    Science.gov (United States)

    Livitska, Oksana; Strutynska, Nataliia; Zatovsky, Igor; Slobodyanik, Nikolai; Odinets, Eugen

    2016-01-01

    The interaction in the molten systems MIPO3-MIII2O3-MINO3 (MICl) (MI - Na, K; MIII - Al, Fe, Y, Bi) was investigated at molar ratios P/MIII=1 or 3 at the temperatures 400 °C (for MINO3) or 810 °C (for MICl). Formation conditions of complex phosphates MI3MIII2(PO4)3 and MI3MIII(PO4)2 (MI - Na, K; MIII - Al, Fe, Bi) were established. It was shown that the crystal size of obtained phosphates can be controlled by using different salt melts. The synthesized compounds were characterized using powder X-ray diffraction, Fourier transform infrared spectroscopy, Optical microscopy and Scanning electron microscopy with Energy-dispersive X-ray spectroscopy. Differential thermal data for Na3Bi(PO4)2 and Na3Fe(PO4)2 showed congruent and incongruent melting, respectively.

  5. Controlled Crystal Grain Growth in Mixed Cation-Halide Perovskite by Evaporated Solvent Vapor Recycling Method for High Efficiency Solar Cells.

    Science.gov (United States)

    Numata, Youhei; Kogo, Atsushi; Udagawa, Yosuke; Kunugita, Hideyuki; Ema, Kazuhiro; Sanehira, Yoshitaka; Miyasaka, Tsutomu

    2017-06-07

    We developed a new and simple solvent vapor-assisted thermal annealing (VA) procedure which can reduce grain boundaries in a perovskite film for fabricating highly efficient perovskite solar cells (PSCs). By recycling of solvent molecules evaporated from an as-prepared perovskite film as a VA vapor source, named the pot-roast VA (PR-VA) method, finely controlled and reproducible device fabrication was achieved for formamidinium (FA) and methylammonium (MA) mixed cation-halide perovskite (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 . The mixed perovskite was crystallized on a low-temperature prepared brookite TiO 2 mesoporous scaffold. When exposed to very dilute solvent vapor, small grains in the perovskite film gradually unified into large grains, resulting in grain boundaries which were highly reduced and improvement of photovoltaic performance in PSC. PR-VA-treated large grain perovskite absorbers exhibited stable photocurrent-voltage performance with high fill factor and suppressed hysteresis, achieving the best conversion efficiency of 18.5% for a 5 × 5 mm 2 device and 15.2% for a 1.0 × 1.0 cm 2 device.

  6. Two-Dimensional Lead(II) Halide-Based Hybrid Perovskites Templated by Acene Alkylamines: Crystal Structures, Optical Properties, and Piezoelectricity.

    Science.gov (United States)

    Du, Ke-Zhao; Tu, Qing; Zhang, Xu; Han, Qiwei; Liu, Jie; Zauscher, Stefan; Mitzi, David B

    2017-08-07

    A series of two-dimensional (2D) hybrid organic-inorganic perovskite (HOIP) crystals, based on acene alkylamine cations (i.e., phenylmethylammonium (PMA), 2-phenylethylammonium (PEA), 1-(2-naphthyl)methanammonium (NMA), and 2-(2-naphthyl)ethanammonium (NEA)) and lead(II) halide (i.e., PbX 4 2- , X = Cl, Br, and I) frameworks, and their corresponding thin films were fabricated and examined for structure-property relationship. Several new or redetermined crystal structures are reported, including those for (NEA) 2 PbI 4 , (NEA) 2 PbBr 4 , (NMA) 2 PbBr 4 , (PMA) 2 PbBr 4 , and (PEA) 2 PbI 4 . Non-centrosymmetric structures from among these 2D HOIPs were confirmed by piezoresponse force microscopy-especially noteworthy is the structure of (PMA) 2 PbBr 4 , which was previously reported as centrosymmetric. Examination of the impact of organic cation and inorganic layer choice on the exciton absorption/emission properties, among the set of compounds considered, reveals that perovskite layer distortion (i.e., Pb-I-Pb bond angle between adjacent PbI 6 octahedra) has a more global effect on the exciton properties than octahedral distortion (i.e., variation of I-Pb-I bond angles and discrepancy among Pb-I bond lengths within each PbI 6 octahedron). In addition to the characteristic sharp exciton emission for each perovskite, (PMA) 2 PbCl 4 , (PEA) 2 PbCl 4 , (NMA) 2 PbCl 4 , and (PMA) 2 PbBr 4 exhibit separate, broad "white" emission in the long wavelength range. Piezoelectric compounds identified from these 2D HOIPs may be considered for future piezoresponse-type energy or electronic applications.

  7. Conduction bands and invariant energy gaps in alkali bromides

    NARCIS (Netherlands)

    Boer, P.K. de; Groot, R.A. de

    1998-01-01

    Electronic structure calculations of the alkali bromides LiBr, NaBr, KBr, RbBr and CsBr are reported. It is shown that the conduction band has primarily bromine character. The size of the band gaps of bromides and alkali halides in general is reinterpreted.

  8. Local fields in ionic crystals

    International Nuclear Information System (INIS)

    Claro, F.

    1981-08-01

    Local fields arising from the electronic distortion in perfect ionic crystals are described in terms of multipolar excitations. Field factors for the alkali halides and chalcogenide ions are found to differ significantly from the Lorentz value of 4π/3, the correction size following an exponential dependence on the difference in ionic radii. Local fields are only slightly modified by these corrections however, and together with the Clausius-Mossotti relation may be regarded as accurate to within 2% if the Lorentz value is adopted. (author)

  9. Strong Photonic-Band-Gap Effect on the Spontaneous Emission in 3D Lead Halide Perovskite Photonic Crystals.

    Science.gov (United States)

    Zhou, Xue; Li, Mingzhu; Wang, Kang; Li, Huizeng; Li, Yanan; Li, Chang; Yan, Yongli; Zhao, Yongsheng; Song, Yanlin

    2018-03-25

    Stimulated emission in perovskite-embedded polymer opal structures is investigated. A polymer opal structure is filled with a perovskite, and perovskite photonic crystals are prepared. The spontaneous emission of the perovskite embedded in the polymer opal structures exhibits clear signatures of amplified spontaneous emission (ASE) via gain modulation. The difference in refractive-index contrast between the perovskite and the polymer opal is large enough for retaining photonic-crystals properties. The photonic band gap has a strong effect on the fluorescence emission intensity and lifetime. The stimulated emission spectrum exhibits a narrow ASE rather than a wide fluorescence peak in the thin film. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations in this laboratory have focused on the surface structure and dynamics of ionic insulators and on epitaxial growth onto alkali halide crystals. In the later the homoepitaxial growth of NaCl/NaCl(001) and the heteroepitaxial growth of KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been studied by monitoring the specular He scattering as a function of the coverage and by measuring the angular and energy distributions of the scattered He atoms. These data provide information on the surface structure, defect densities, island sizes and surface strain during the layer-by-layer growth. The temperature dependence of these measurements also provides information on the mobilities of the admolecules. He atom scattering is unique among surface probes because the low-energy, inert atoms are sensitive only to the electronic structure of the topmost surface layer and are equally applicable to all crystalline materials. It is proposed for the next year to exploit further the variety of combinations possible with the alkali halides in order to carry out a definitive study of epitaxial growth in the ionic insulators. The work completed so far, including measurements of the Bragg diffraction and surface dispersion at various stages of growth, appears to be exceptionally rich in detail, which is particularly promising for theoretical modeling. In addition, because epitaxial growth conditions over a wide range of lattice mismatches is possible with these materials, size effects in growth processes can be explored in great depth. Further, as some of the alkali halides have the CsCl structure instead of the NaCl structure, we can investigate the effects of the heteroepitaxy with materials having different lattice preferences. Finally, by using co-deposition of different alkali halides, one can investigate the formation and stability of alloys and even alkali halide superlattices

  11. Crystallization and preliminary X-ray study of a family 10 alkali-thermostable xylanase from alkalophilic Bacillus sp. strain NG-27

    International Nuclear Information System (INIS)

    Manikandan, K.; Bhardwaj, Amit; Ghosh, Amit; Reddy, V. S.; Ramakumar, S.

    2005-01-01

    A family 10 alkali-thermostable xylanase from Bacillus sp. NG-27 has been crystallized. A diffraction data set has been collected to 2.2 Å resolution. Xylanases (EC 3.2.1.8) catalyze the hydrolysis of β-1,4-glycosidic linkages within xylan, a major hemicellulose component in the biosphere. The extracellular endoxylanase (XylnA) from the alkalophilic Bacillus sp. strain NG-27 belongs to family 10 of the glycoside hydrolases. It is active at 343 K and pH 8.4. Moreover, it has attractive features from the point of view of utilization in the paper pulp, animal feed and baking industries since it is an alkali-thermostable protein. In this study, XylnA was purified from the native host source and crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the monoclinic space group C2, with unit-cell parameters a = 174.5, b = 54.7, c = 131.5 Å, β = 131.2°, and diffract to better than 2.2 Å resolution

  12. PREPARATION OF REFRACTORY OXIDE CRYSTALS

    Science.gov (United States)

    Grimes, W.R.; Shaffer, J.H.; Watson, G.M.

    1962-11-13

    A method is given for preparing uranium dioxide, thorium oxide, and beryllium oxide in the form of enlarged individual crystals. The surface of a fused alkali metal halide melt containing dissolved uranium, thorium, or beryllium values is contacted with a water-vapor-bearing inert gas stream at a rate of 5 to 10 cubic centimeters per minute per square centimeter of melt surface area. Growth of individual crystals is obtained by prolonged contact. Beryllium oxide-coated uranium dioxide crystals are prepared by disposing uranium dioxide crystals 5 to 20 microns in diameter in a beryllium-containing melt and contacting the melt with a water-vapor-bearing inert gas stream in the same manner. (AEC)

  13. Crystal chemistry of uranyl halides containing mixed(UO2)(XmOn)5 bipyramids (X = Cl,Br). Synthesis and crystal structure of Cs2(UO2)(NO3)Cl3

    International Nuclear Information System (INIS)

    Nazarchuk, Evgeny V.; Siidra, Oleg I.; Krivovichev, Sergey V.

    2011-01-01

    Single crystals of Cs 2 (UO 2 )(NO 3 )Cl 3 were prepared by a hydrothermal method at 205 C. The crystal structure has been solved by Direct Methods: monoclinic, P2 1 /n, a = 10.3748(13), b = 9.4683(13), c = 12.5535(16) A β, = 110.280(2) , V = 1156.7(3) A 3 , R 1 = 0.029. In the structure, strongly bonded linear uranyl cations UO 2 2+ are equatorially coordinated by two O and three Cl atoms to form (UO 2 )Cl 3 O 2 pentagonal bipyramids. Each bipyramid shares its O.O edge with an adjacent (NO 3 ) - anion to form finite clusters with the chemical composition [(UO 2 )(NO 3 )Cl 3 ] 2- . The Cs + cations provide three-dimensional connectivity of the structure by forming Cs-O and Cs-Cl contacts to the uranyl nitrate chloride complexes. Related structures of mixed-ligand uranyl halides are compared. (orig.)

  14. Alkaline halides crystal growth; Effect of ion beam from accelerator on these crystals measuring penetration depth and range of proton beams on these materials

    International Nuclear Information System (INIS)

    Daraie; Ahmad Reza.

    1994-02-01

    This project was began by modification of the Czochralski/Kyropoulos crystal growth system, present in the Solid State Division of the Laser Research Center of Atomic Energy Organization of Iran, in order to be suitable of growing different K Br single crystals. The crystals were then cleaved in the direction of their (100) planes and irradiated by protons with various fluences and energies using van de Graaff accelerator. Many photomicrographs with the different modification were obtained for each samples by a microscope equipped with a camera. The obtained micrographs were then densitometerized by a laser densitometer linked with 386 IBM pc computer using an available software program (Zeineh Programs). The drawn optical density graphs, which indicate the color layers relative to the depth of damages, were used to calculate the range and damage profiles for each samples

  15. Analysis of the physical atomic forces between noble gas atoms, alkali ions and halogen ions

    Science.gov (United States)

    Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

    1986-01-01

    The physical forces between atoms and molecules are important in a number of processes of practical importance, including line broadening in radiative processes, gas and crystal properties, adhesion, and thin films. The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base for the dispersion forces is developed from the literature based on evaluations with the harmonic oscillator dispersion model for higher order coefficients. The Zener model of the repulsive core is used in the context of the recent asymptotic wave functions of Handler and Smith; and an effective ionization potential within the Handler and Smith wave functions is defined to analyze the two body potential data of Waldman and Gordon, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

  16. Influence of PbCl2 content in PbI2 solution of DMF on the absorption, crystal phase, morphology of lead halide thin films and photovoltaic performance in planar perovskite solar cells

    International Nuclear Information System (INIS)

    Wang, Mao; Shi, Chengwu; Zhang, Jincheng; Wu, Ni; Ying, Chao

    2015-01-01

    In this paper, the influence of PbCl 2 content in PbI 2 solution of DMF on the absorption, crystal phase and morphology of lead halide thin films was systematically investigated and the photovoltaic performance of the corresponding planar perovskite solar cells was evaluated. The result revealed that the various thickness lead halide thin film with the small sheet-like, porous morphology and low crystallinity can be produced by adding PbCl 2 powder into PbI 2 solution of DMF as a precursor solution. The planar perovskite solar cell based on the 300-nm-thick CH 3 NH 3 PbI 3−x Cl x thin film by the precursor solution with the mixture of 0.80 M PbI 2 and 0.20 M PbCl 2 exhibited the optimum photoelectric conversion efficiency of 10.12% along with an open-circuit voltage of 0.93 V, a short-circuit photocurrent density of 15.70 mA cm −2 and a fill factor of 0.69. - Graphical abstract: The figure showed the surface and cross-sectional SEM images of lead halide thin films using the precursor solutions: (a) 0.80 M PbI 2 , (b) 0.80 M PbI 2 +0.20 M PbCl 2 , (c) 0.80 M PbI 2 +0.40 M PbCl 2 , and (d) 0.80 M PbI 2 +0.60 M PbCl 2 . With the increase of the PbCl 2 content in precursor solution, the size of the lead halide nanosheet decreased and the corresponding thin films gradually turned to be porous with low crystallinity. - Highlights: • Influence of PbCl 2 content on absorption, crystal phase and morphology of thin film. • Influence of perovskite film thickness on photovoltaic performance of solar cell. • Lead halide thin film with small sheet-like, porous morphology and low crystallinity. • Planar solar cell with 300 nm-thick perovskite thin film achieved PCE of 10.12%.

  17. Study of absorption spectra for alkali and alkaline earth metal salts in flameless atomic absorption spectrometry using a carbon tube atomizer

    International Nuclear Information System (INIS)

    Yasuda, Seiji; Kakiyama, Hitoo

    1975-01-01

    Absorption spectra of various salts such as alkali metal salts, alkaline earth dichlorides, and ammonium halides were investigated and absorptions of some molecular species produced in the carbon tube were identified. The aqueous solution (20 μl) containing 1.0 mg/ml of each salt was placed in the carbon tube atomizer and heated in a similar manner to usual flameless atomic absorption method. D 2 -lamp was used as a continuous light source and argon gas was employed as an inert sheath gas. The spectra were obtained over the range of wavelength 200 to 350 nm. When alkali halides were feeded, the absorption spectra agreed with those of alkali halide vapors. Therefore, in such cases vapors of the alkali halides were probably produced by the sublimation or vaporization in the atomizer. The spectra of alkali perchlorates were considered to be those of alkali chlorides produced by the pyrolysis of the perchlorates in the atomizer. The absorptions of alkaline earth chlorides below 250 nm were probably due to their gaseous states. Sulfur dioxide was found to be produced by the pyrolysis of alkali sulfates, bisulfates and sulfites in the atomizer, Alkali phosphates and pyrophosphates gave almost identical spectra below 300 nm. Gamma band spectrum of nitrogen monoxide was observed from 200 to 240 nm during ashing at bout 330 0 C for alkali nitrates and nitrites. Ammonia vapor was produced from ammonium halides during drying at about 170 0 C. Although the absorptions of alkali carbonates and hydroxides were almost undetectable, the same spectra as those of alkali halides were observed by the addition of ammonium halides to the solutions of alkali compounds. This shows that alkali halides are produced in the atomizer by the addition of halide ions. (auth.)

  18. Ligand design for alkali-metal-templated self-assembly of unique high-nuclearity CuII aggregates with diverse coordination cage units: crystal structures and properties.

    Science.gov (United States)

    Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Ribas, Joan

    2004-03-19

    The construction of two unique, high-nuclearity Cu(II) supramolecular aggregates with tetrahedral or octahedral cage units, [(mu(3)-Cl)[Li subset Cu(4)(mu-L(1))(3)](3)](ClO(4))(8)(H(2)O)(4.5) (1) and [[Na(2) subset Cu(12)(mu-L(2))(8)(mu-Cl)(4)](ClO(4))(8)(H(2)O)(10)(H(3)O(+))(2)](infinity) (2) by alkali-metal-templated (Li(+) or Na(+)) self-assembly, was achieved by the use of two newly designed carboxylic-functionalized diazamesocyclic ligands, N,N'-bis(3-propionyloxy)-1,4-diazacycloheptane (H(2)L(1)) or 1,5-diazacyclooctane-N,N'-diacetate acid (H(2)L(2)). Complex 1 crystallizes in the trigonal R3c space group (a = b = 20.866(3), c = 126.26(4) A and Z = 12), and 2 in the triclinic P1 space group (a = 13.632(4), b = 14.754(4), c = 19.517(6) A, alpha = 99.836(6), beta = 95.793(5), gamma = 116.124(5) degrees and Z = 1). By subtle variation of the ligand structures and the alkali-metal templates, different polymeric motifs were obtained: a dodecanuclear architecture 1 consisting of three Cu(4) tetrahedral cage units with a Li(+) template, and a supramolecular chain 2 consisting of two crystallographically nonequivalent octahedral Cu(6) polyhedra with a Na(+) template. The effects of ligand functionality and alkali metal template ions on the self-assembly processes of both coordination supramolecular aggregates, and their magnetic behaviors are discussed in detail.

  19. Hygroscopicity Evaluation of Halide Scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Zhuravleva, M [The University of Tennessee; Stand, L [The University of Tennessee; Wei, H [The University of Tennessee; Hobbs, C. L. [University of Tennessee, Knoxville (UTK); Boatner, Lynn A [ORNL; Ramey, Joanne Oxendine [ORNL; Burger, Arnold [Fisk University, Nashville; Rowe, E [Fisk University, Nashville; Bhattacharya, P. [Fisk University, Nashville; Tupitsyn, E [Fisk University, Nashville; Melcher, Charles L [University of Tennessee, Knoxville (UTK)

    2014-01-01

    A collaborative study of relative hygroscopicity of anhydrous halide scintillators grown at various laboratories is presented. We have developed a technique to evaluate moisture sensitivity of both raw materials and grown crystals, in which the moisture absorption rate is measured using a gravimetric analysis. Degradation of the scintillation performance was investigated by recording gamma-ray spectra and monitoring the photopeak position, count rate and energy resolution. The accompanying physical degradation of the samples exposed to ambient atmosphere was photographically recorded as well. The results were compared with ben

  20. Crystal growth and evaluation of scintillation properties of Eu and alkali-metal co-doped LiSrAlF{sub 6} single crystals for thermal neutron detector

    Energy Technology Data Exchange (ETDEWEB)

    Wakahara, Shingo; Yokota, Yuui; Yamaji, Akihiro; Fujimoto, Yutaka; Sugiyama, Makoto; Kurosawa, Shunsuke [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Yanagida, Takayuki [New Industry Creation Hatchery Center (NICHe), 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan); Pejchal, Jan [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Institute of Physics AS CR, Cukrovarnicka 10, Prague 16253 (Czech Republic); Kawaguchi, Noriaki [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Tokuyama, Co. Ltd., Shibuya 3-chome, Shibuya-ku, Tokyo 150-8383 (Japan); Fukuda, Kentaro [Tokuyama, Co. Ltd., Shibuya 3-chome, Shibuya-ku, Tokyo 150-8383 (Japan); Yoshikawa, Akira [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); New Industry Creation Hatchery Center (NICHe), 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan)

    2012-12-15

    In recent work, Na co-doping have found to improve the light output of Eu doped LiCaAlF{sub 6} (Eu:LiCAF) for thermal neutron scintillator. We grew Eu 2% and alkali metal 1% co-doped LiSAF crystals by Micro-Pulling down method to understand the effect of alkali metal co-doping on scintillation properties and mechanism compared with LiCAF. In photo- and {alpha}-ray induced radio-luminescence spectra of the all grown crystals, the emissions from d-f transition of Eu{sup 2+} were observed. Without relation to excitation source, decay times of co-doped LiSAF were longer than Eu only doped one. The light yield of Na, K and Cs co-doped LiSAF under {sup 252}Cf neutron excitation were improved. Especially, K co-doped Eu:LiSAF reached 33200 ph/n, which outperformed Eu only doped one by approximately 20% (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Understanding the Effects of NaCl, NaBr and Their Mixtures on Silver Nanowire Nucleation and Growth in Terms of the Distribution of Electron Traps in Silver Halide Crystals

    Directory of Open Access Journals (Sweden)

    Yunjun Rui

    2018-03-01

    Full Text Available In recent years, many research groups have synthesized ultra-thin silver nanowires (AgNWs with diameters below 30 nm by employing Cl− and Br− simultaneously in the polyol process. However, the yield of AgNWs in this method was low, due to the production of Ag nanoparticles (AgNPs as an unwanted byproduct, especially in the case of high Br− concentration. Here, we investigated the roles of Cl− and Br− in the preparation of AgNWs and then synthesized high aspect ratio (up to 2100 AgNWs in high yield (>85% AgNWs using a Cl− and Br− co-mediated method. We found that multiply-twinned particles (MTPs with different critical sizes were formed and grew into AgNWs, accompanied by a small and large amount of AgNPs for the NaCl and NaBr additives, respectively. For the first time, we propose that the growth of AgNWs of different diameters and yields can be understood based on the electron trap distribution (ETD of the silver halide crystals. For the case of Cl− and Br− co-additives, a mixed silver halide crystal of AgBr1−xClx was formed, rather than the AgBr/AgCl mixture reported previously. In this type of crystal, the ETD is uniform, which is beneficial for the synthesis of AgNWs with small diameter (30~40 nm and high aspect ratio. AgNW transparent electrodes were prepared in air by rod coating. A sheet resistance of 48 Ω/sq and transmittance of 95% at 550 nm were obtained without any post-treatment.

  2. Synthesis, characterization and computational studies of zinc(ii)-halide complexes with a bidentate Schiff base ligand (2,5-MeO-ba).sub.2./sub.En: the crystal structure of (2,5-MeO-ba).sub.2./sub.En

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Mighani, H.; Gholinejad, M.; Grivani, G.; Jalali Akerdi, S.; Fejfarová, Karla; Dušek, Michal

    2013-01-01

    Roč. 54, č. 4 (2013), s. 766-773 ISSN 0022-4766 Institutional research plan: CEZ:AV0Z10100521 Keywords : zinc(II) halides * Schiff base * crystal structure * density functional theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.501, year: 2013

  3. 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

  4. Cs7Sm11[TeO3]12Cl16 and Rb7Nd11[TeO3]12Br16, the new tellurite halides of the tetragonal Rb6LiNd11[SeO3]12Cl16 structure type

    International Nuclear Information System (INIS)

    Charkin, Dmitri O.; Black, Cameron; Downie, Lewis J.; Sklovsky, Dmitry E.; Berdonosov, Peter S.; Olenev, Andrei V.; Zhou, Wuzong; Lightfoot, Philip; Dolgikh, Valery A.

    2015-01-01

    Two new rare-earth – alkali – tellurium oxide halides were synthesized by a salt flux technique and characterized by single-crystal X-ray diffraction. The structures of the new compounds Cs 7 Sm 11 [TeO 3 ] 12 Cl 16 (I) and Rb 7 Nd 11 [TeO 3 ] 12 Br 16 (II) (both tetragonal, space group I4/mcm) correspond to the sequence of [MLn 11 (TeO 3 ) 12 ] and [M 6 X 16 ] layers and bear very strong similarities to those of known selenite analogs. We discuss the trends in similarities and differences in compositions and structural details between the Se and Te compounds; more members of the family are predicted. - Graphical abstract: Two new rare-earth – alkali – tellurium oxide halides were predicted and synthesized. - Highlights: • Two new rare-earth – alkali – tellurium oxide halides were synthesized. • They adopt slab structure of rare earth-tellurium-oxygen and CsCl-like slabs. • The Br-based CsCl-like slabs have been observed first in this layered family.

  5. Defect production at exciton decay in ionic crystals

    International Nuclear Information System (INIS)

    Lushchik, Ch.B.

    1984-01-01

    On the example of alkali halide crystals experimentally detected phenomenon of structural point defect production in wide-gap nonmetallic solids at low-temperature radiationless decay of self-localizing excitons and recombination of electrons with self-localized holes is considered. Factors promoting radiationless transformation of electron excitations to not small oscillations of many atoms (heat release), but to separate ion large shifts, that determine one of the most important mechanisms of radiation instability of solids, used, in particular, for data recording, are discussed

  6. 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

  7. Bio-conventional bleaching of kadam kraft-AQ pulp by thermo-alkali-tolerant xylanases from two strains of Coprinellus disseminatus for extenuating adsorbable organic halides and improving strength with optical properties and energy conservation.

    Science.gov (United States)

    Lal, Mohan; Dutt, Dharm; Tyagi, C H

    2012-04-01

    Two novel thermo-alkali-tolerant crude xylanases namely MLK-01 (enzyme-A) and MLK-07 (enzyme-B) from Coprinellus disseminatus mitigated kappa numbers of Anthocephalus cadamba kraft-AQ pulps by 32.5 and 34.38%, improved brightness by 1.5 and 1.6% and viscosity by 5.75 and 6.47% after (A)XE(1) and (B)XE(1)-stages, respectively. The release of reducing sugars and chromophores was the highest during prebleaching of A. cadamba kraft-AQ pulp at enzyme doses of 5 and 10 IU/g, reaction times 90 and 120 min, reaction temperatures 75 and 65°C and consistency 10% for MLK-01 and MLK-07, respectively. MLK-07 was more efficient than MLK01 in terms of producing pulp brightness, improving mechanical strength properties and reducing pollution load. MLK-01 and MLK-07 reduced AOX by 19.51 and 42.77%, respectively at 4% chlorine demands with an increase in COD and colour due to removal of lignin carbohydrates complexes. A. cadamba kraft-AQ pulps treated with xylanases from MLK-01 to MLK-07 and followed by CEHH bleaching at half chlorine demand (2%) showed a drastic reduction in brightness with slight improvement in mechanical strength properties compared to pulp bleached at 4% chlorine demand. MLK-01 reduced AOX, COD and colour by 43.83, 39.03 and 27.71% and MLK-07 by 38.34, 40.48 and 30.77%, respectively at half chlorine demand compared to full chlorine demand (4%). pH variation during prebleaching of A. cadamba kraft-AQ pulps with strains MLK-01 and MLK-07 followed by CEHH bleaching sequences showed a decrease in pulp brightness, AOX, COD and colour with an increase in mechanical strength properties, pulp viscosity and PFI revolutions to get a beating level of 35 ± 1 °SR at full chlorine demand.

  8. Systematic hardness measurements on mixed and doped crystals of ...

    Indian Academy of Sciences (India)

    Efforts are made to improve the hardness of rubidium halide crystals by. solid solution hardening and; impurity hardening. Systematic microhardness measurements have been made on rubidium halide mixed crystals (RbBr–RbI and KI–RbI) and rubidium halide crystals doped with Sr2+ ions. The composition dependence ...

  9. Recent advances in technetium halide chemistry.

    Science.gov (United States)

    Poineau, Frederic; Johnstone, Erik V; Czerwinski, Kenneth R; Sattelberger, Alfred P

    2014-02-18

    Transition metal binary halides are fundamental compounds, and the study of their structure, bonding, and other properties gives chemists a better understanding of physicochemical trends across the periodic table. One transition metal whose halide chemistry is underdeveloped is technetium, the lightest radioelement. For half a century, the halide chemistry of technetium has been defined by three compounds: TcF6, TcF5, and TcCl4. The absence of Tc binary bromides and iodides in the literature was surprising considering the existence of such compounds for all of the elements surrounding technetium. The common synthetic routes that scientists use to obtain binary halides of the neighboring elements, such as sealed tube reactions between elements and flowing gas reactions between a molecular complex and HX gas (X = Cl, Br, or I), had not been reported for technetium. In this Account, we discuss how we used these routes to revisit the halide chemistry of technetium. We report seven new phases: TcBr4, TcBr3, α/β-TcCl3, α/β-TcCl2, and TcI3. Technetium tetrachloride and tetrabromide are isostructural to PtX4 (X = Cl or Br) and consist of infinite chains of edge-sharing TcX6 octahedra. Trivalent technetium halides are isostructural to ruthenium and molybdenum (β-TcCl3, TcBr3, and TcI3) and to rhenium (α-TcCl3). Technetium tribromide and triiodide exhibit the TiI3 structure-type and consist of infinite chains of face-sharing TcX6 (X = Br or I) octahedra. Concerning the trichlorides, β-TcCl3 crystallizes with the AlCl3 structure-type and consists of infinite layers of edge-sharing TcCl6 octahedra, while α-TcCl3 consists of infinite layers of Tc3Cl9 units. Both phases of technetium dichloride exhibit new structure-types that consist of infinite chains of [Tc2Cl8] units. For the technetium binary halides, we studied the metal-metal interaction by theoretical methods and magnetic measurements. The change of the electronic configuration of the metal atom from d(3) (Tc

  10. Effect of the nature of alkali and alkaline-earth oxides on the structure and crystallization of an alumino-borosilicate glass developed to immobilize highly concentrated nuclear waste solutions

    International Nuclear Information System (INIS)

    Quintas, A.; Caurant, D.; Majerus, O.; Charpentier, T.; Dussossoy, J.L.

    2008-01-01

    A complex rare-earth rich alumino-borosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this system, sodium and calcium cations were supposed in other works to simulate respectively all the other alkali (R + = Li + , Rb + , Cs + ) and alkaline-earth (R 2+ = Sr 2+ , Ba 2+ ) cations present in the complex glass composition. Moreover, neodymium or lanthanum are used here to simulate all the rare-earths and actinides occurring in waste solutions. In order to study the impact of the nature of R + and R 2+ cations on both glass structure and melt crystallization tendency during cooling, two glass series were prepared by replacing either Na + or Ca 2+ cations in the simplified glass by respectively (Li + , K + , Rb + , Cs + ) or (Mg 2+ , Sr 2+ , Ba 2+ ) cations. From these substitutions, it was established that alkali ions are preferentially involved in the charge compensation of (AlO 4 ) - entities in the glass network comparatively to alkaline-earth ions. The glass compositions containing calcium give way to the crystallization of an apatite silicate phase bearing calcium and rare-earth ions. The melt crystallization tendency during cooling strongly varies with the nature of the alkaline-earth. (authors)

  11. A possible role of alkali metal ions in the synthesis of pure-silica molecular sieves

    OpenAIRE

    Goepper, Michelle; Li, Hong-Xin; Davis, Mark E.

    1992-01-01

    Pure-silica ZSM-12 is synthesized in the presence and absence of alkali metal ions; addition of alkali metal ions at constant hydroxide ion concentration increases the crystallization rate of ZSM-12, and it is suggested that alkali metal ions participate in both the nucleation and crystal growth processes.

  12. 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.

  13. 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).

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

    Indian Academy of Sciences (India)

    2Department of Electronics and Telecommunication, Raipur Institute of Technology,. Raipur 492 101, India. 3Department of Physics, Government Digvijay P.G. College, Rajnandgaon 491 441, India. MS received 19 March 2002; revised 24 February 2004; accepted 13 March 2004. Abstract. The present paper reports the ...

  15. Intrinsic luminescence of alkali silicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Arbuzov, V.I.; Grabovskis, V.Y.; Tolstoi, M.N.; Vitol, I.K.

    1986-09-01

    This study obtains additional information on L centers and their role in electron excitation and intrinsic luminescence of a whole series. (Li, Na, K, Rb, and Cs) of alkali silicate glasses. The authors compare the features of the interaction with radiation of specimens of glass and crystal of a similar chemical composition, since silicates of alkali metals can be obtained in both the glassy and crystalline states.

  16. The alkali metals: 200 years of surprises.

    Science.gov (United States)

    Dye, James L

    2015-03-13

    Alkali metal compounds have been known since antiquity. In 1807, Sir Humphry Davy surprised everyone by electrolytically preparing (and naming) potassium and sodium metals. In 1808, he noted their interaction with ammonia, which, 100 years later, was attributed to solvated electrons. After 1960, pulse radiolysis of nearly any solvent produced solvated electrons, which became one of the most studied species in chemistry. In 1968, alkali metal solutions in amines and ethers were shown to contain alkali metal anions in addition to solvated electrons. The advent of crown ethers and cryptands as complexants for alkali cations greatly enhanced alkali metal solubilities. This permitted us to prepare a crystalline salt of Na(-) in 1974, followed by 30 other alkalides with Na(-), K(-), Rb(-) and Cs(-) anions. This firmly established the -1 oxidation state of alkali metals. The synthesis of alkalides led to the crystallization of electrides, with trapped electrons as the anions. Electrides have a variety of electronic and magnetic properties, depending on the geometries and connectivities of the trapping sites. In 2009, the final surprise was the experimental demonstration that alkali metals under high pressure lose their metallic character as the electrons are localized in voids between the alkali cations to become high-pressure electrides! © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  17. 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

  18. 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...

  19. 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

  20. A new route to the syntheses of alkali metal bis(fluorosulfuryl)imides: Crystal structure of LiN(SO2F)2

    Czech Academy of Sciences Publication Activity Database

    Beran, Martin; Příhoda, J.; Žák, Z.; Černík, M.

    2006-01-01

    Roč. 25, č. 6 (2006), s. 1292-1298 ISSN 0277-5387 Institutional research plan: CEZ:AV0Z40310501 Keywords : imido-bis( sulfuric acid ) difluoride * lithium bis(fluorosulfuryl)imide * alkali metal bis(fluorosulfuryl)imides Subject RIV: CA - Inorganic Chemistry Impact factor: 1.843, year: 2006

  1. Halide laser glasses

    Energy Technology Data Exchange (ETDEWEB)

    Weber, M.J.

    1982-01-14

    Energy storage and energy extraction are of prime importance for efficient laser action and are affected by the line strengths and linewidths of optical transitions, excited-state lifetimes, nonradiative decay processes, spectroscopic inhomogeneities, nonlinear refractive index, and damage threshold. These properties are all host dependent. To illustrate this, the spectroscopic properties of Nd/sup 3 +/ have been measured in numerous oxide, oxyhalide, and halide glasses. A table summarizes the reported ranges of stimulated emission cross sections, peak wavelengths, linewidths, and radiative lifetimes associated with the /sup 4/F/sub 3/2/ ..-->.. /sup 4/I/sub 11/2/ lasing transition.

  2. Effect of the nature of alkali and alkaline-earth oxides on the structure and crystallization of an alumino-borosilicate glass developed to immobilize highly concentrated nuclear waste solutions

    Energy Technology Data Exchange (ETDEWEB)

    Quintas, A.; Caurant, D.; Majerus, O. [Laboratoire de Chimie de la Matiere Condensee de Paris (UMR 7574), Ecole Nationale Superieure de Chimie de Paris - ENSCP, ParisTech, Paris, 75005 (France); Charpentier, T. [CEA Saclay, Laboratoire de Structure et Dynamique par Resonance Magnetique, DSM/DRECAM/SCM - CEA CNRS URA 331, Gif-sur-Yvette, 91191 (France); Dussossoy, J.L. [Laboratoire d' Etude de Base sur les Verres, CEA Valrho, DEN/DTCD/SCDV/LEBV, Bagnols-sur-Ceze, 30207 (France)

    2008-07-01

    A complex rare-earth rich alumino-borosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this system, sodium and calcium cations were supposed in other works to simulate respectively all the other alkali (R{sup +} = Li{sup +}, Rb{sup +}, Cs{sup +}) and alkaline-earth (R{sup 2+} = Sr{sup 2+}, Ba{sup 2+}) cations present in the complex glass composition. Moreover, neodymium or lanthanum are used here to simulate all the rare-earths and actinides occurring in waste solutions. In order to study the impact of the nature of R{sup +} and R{sup 2+} cations on both glass structure and melt crystallization tendency during cooling, two glass series were prepared by replacing either Na{sup +} or Ca{sup 2+} cations in the simplified glass by respectively (Li{sup +}, K{sup +}, Rb{sup +}, Cs{sup +}) or (Mg{sup 2+}, Sr{sup 2+}, Ba{sup 2+}) cations. From these substitutions, it was established that alkali ions are preferentially involved in the charge compensation of (AlO{sub 4}){sup -} entities in the glass network comparatively to alkaline-earth ions. The glass compositions containing calcium give way to the crystallization of an apatite silicate phase bearing calcium and rare-earth ions. The melt crystallization tendency during cooling strongly varies with the nature of the alkaline-earth. (authors)

  3. Milk-alkali syndrome

    Science.gov (United States)

    Calcium-alkali syndrome; Cope syndrome; Burnett syndrome; Hypercalcemia; Calcium metabolism disorder ... Milk-alkali syndrome is almost always caused by taking too many calcium supplements, usually in the form of calcium ...

  4. 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.

  5. Crystal chemistry of uranyl halides containing mixed(UO{sub 2})(X{sub m}O{sub n}){sub 5} bipyramids (X = Cl,Br). Synthesis and crystal structure of Cs{sub 2}(UO{sub 2})(NO{sub 3})Cl{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Nazarchuk, Evgeny V.; Siidra, Oleg I.; Krivovichev, Sergey V. [Saint-Petersburg State Univ. (Russian Federation). Dept. of Cristallography

    2011-02-15

    Single crystals of Cs{sub 2}(UO{sub 2})(NO{sub 3})Cl{sub 3} were prepared by a hydrothermal method at 205 C. The crystal structure has been solved by Direct Methods: monoclinic, P2{sub 1}/n, a = 10.3748(13), b = 9.4683(13), c = 12.5535(16) A {beta}, = 110.280(2) , V = 1156.7(3) A{sup 3}, R{sub 1} = 0.029. In the structure, strongly bonded linear uranyl cations UO{sub 2}{sup 2+} are equatorially coordinated by two O and three Cl atoms to form (UO{sub 2})Cl{sub 3}O{sub 2} pentagonal bipyramids. Each bipyramid shares its O.O edge with an adjacent (NO{sub 3}){sup -} anion to form finite clusters with the chemical composition [(UO{sub 2})(NO{sub 3})Cl{sub 3}]{sup 2-}. The Cs{sup +} cations provide three-dimensional connectivity of the structure by forming Cs-O and Cs-Cl contacts to the uranyl nitrate chloride complexes. Related structures of mixed-ligand uranyl halides are compared. (orig.)

  6. HIGH-FREQUENCY DIELECTRIC-PROPERTIES OF ALKALI AND ALKALI-HALIDE BORATE GLASSES

    NARCIS (Netherlands)

    VERHOEF, AH; DENHARTOG, HW

    Time domain reflectometry (TDR) measurements have been carried out on glasses of compositions (B2O3)1-x(Li2O)x and (B2O3)1-x-y(Li2O)x(Li2Cl2)y. Dielectric spectra have been obtained in the frequency range of 5 MHz to 10 GHz and in temperature intervals from room temperature up to values in the

  7. Research Update: Physical and electrical characteristics of lead halide perovskites for solar cell applications

    Directory of Open Access Journals (Sweden)

    Simon A. Bretschneider

    2014-04-01

    Full Text Available The field of thin-film photovoltaics has been recently enriched by the introduction of lead halide perovskites as absorber materials, which allow low-cost synthesis of solar cells with efficiencies exceeding 16%. The exact impact of the perovskite crystal structure and composition on the optoelectronic properties of the material are not fully understood. Our progress report highlights the knowledge gained about lead halide perovskites with a focus on physical and optoelectronic properties. We discuss the crystal and band structure of perovskite materials currently implemented in solar cells and the impact of the crystal properties on ferroelectricity, ambipolarity, and the properties of excitons.

  8. Coprecipitation of alkali metal ions with calcium carbonate

    International Nuclear Information System (INIS)

    Okumura, Minoru; Kitano, Yasushi

    1986-01-01

    The coprecipitation of alkali metal ions Li + , Na + , K + and Rb + with calcium carbonate has been studied experimentally and the following results have been obtained: (1) Alkali metal ions are more easily coprecipitated with aragonite than with calcite. (2) The relationship between the amounts of alkali metal ions coprecipitated with aragonite and their ionic radii shows a parabolic curve with a peak located at Na + which has approximately the same ionic radius as Ca 2+ . (3) However, the amounts of alkali metal ions coprecipitated with calcite decrease with increasing ionic radius of alkali metals. (4) Our results support the hypothesis that (a) alkali metals are in interstitial positions in the crystal structure of calcite and do not substitute for Ca 2+ in the lattice, but (b) in aragonite, alkali metals substitute for Ca 2+ in the crystal structure. (5) Magnesium ions in the parent solution increase the amounts of alkali metal ions (Li + , Na + , K + and Rb + ) coprecipitated with calcite but decrease those with aragonite. (6) Sodium-bearing aragonite decreases the incorporation of other alkali metal ions (Li + , K + and Rb + ) into the aragonite. (author)

  9. Methyl Halide Production by Fungi

    Science.gov (United States)

    Dailey, G. D.; Varner, R. K.; Blanchard, R. O.; Sive, B. C.; Crill, P. M.

    2005-12-01

    Methyl chloride (CH3Cl), methyl bromide (CH3Br) and methyl iodide (CH3I) are methyl halide gases that contribute significant amounts of halogen radicals to the atmosphere. In an effort to better understand the global budget of methyl halides and their impact on the atmosphere, we need to identify the natural sources in addition to the known anthropogenic sources of these compounds. We are investigating the role of fungi in the production of methyl halides in the soils and wetlands in southern New Hampshire, USA. Previous research has shown that wood decay fungi and ectomycorrhizal fungi, which are within a group of fungi called basidiomycetes, emit methyl halides. In our study, measurements of headspace gas extracted from flasks containing fungi grown in culture demonstrate that a variety of fungi, including basidiomycetes and non-basidiomycetes, emit methyl halides. Our research sites include four ecosystems: an agricultural field, a temperate forest, a fresh water wetland, and coastal salt marshes. We have collected and isolated fungi at each site by culturing tissue samples of fruiting bodies and plant material, by using wood baits, and from the direct culture of soil. We compared the rates of methyl halide emissions from the fungi in the four ecosystems. In addition, we measured emissions from previously assayed fungal isolates after reintroducing them to sterilized soils that were collected from their original environments. Fungal biomass was determined by substrate-induced respiration (SIR). The emission rate by the fungus was determined by a linear regression of the concentration of methyl halide in the sample headspace over time divided by the fungal biomass.

  10. 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

  11. Coloration dependence in the thermoluminescence properties of the double doped NaCl single crystals under gamma irradiation

    International Nuclear Information System (INIS)

    Sanchez-Mejorada, G.; Gelover-Santiago, A.L.; Frias, D.

    2006-01-01

    In this work the behaviour of calcium manganese doped NaCl single crystals under gamma irradiation is reported. Various single crystals of NaCl doped with Ca and Mn have been irradiated at different doses with ionising radiation. The production of defects has been correlated to the increase in the intensity of the thermo luminescent glow curve as a function of doses. The glow curves intensity as a function of doses shows the potential use of these materials as dosimeters. Optical properties of such crystals after irradiation with gamma rays have also been studied; results have shown their potentiality as a good detector and optical store memory devices. Since the creations of colour centres by photons with energy less than the band gap energy has been detected also in ns 2 -ion doped alkali halides. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Alkali metal hydride formation

    International Nuclear Information System (INIS)

    1976-01-01

    The present invention relates to a method of producing alkali metal hydrides by absorbing hydrogen gas under pressure into a mixture of lower alkyl mono amines and alkali metal alkyl amides selected from sodium and potassium amides formed from said amines. The present invention also includes purification of a mixture of the amines and amides which contain impurities, such as is used as a catalytic exchange liquid in the enrichment of deuterium, involving the formation of the alkali metal hydride

  13. Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-amino?phenyl?arsonic acid

    OpenAIRE

    Smith, Graham; Wermuth, Urs D.

    2017-01-01

    The structures of the alkali metal (K, Rb and Cs) complex salts with 4-amino?phenyl?arsonic acid (p-arsanilic acid) manifest an isotypic series with the general formula [M 2(C6H7AsNO3)2(H2O)3], with M = K {poly[di-?3-4-amino?phenyl?arsonato-tri-?2-aqua-dipotassium], [K2(C6H7AsNO3)2(H2O)3], (I)}, Rb {poly[di-?3-4-amino?phenyl?arsonato-tri-?2-aqua-dirubidium], [Rb2(C6H7AsNO3)2(H2O)3], (II)}, and Cs {poly[di-?3-4-amino?phenyl?arsonato-tri-?2-aqua-dirubidium], [Cs2(C6H7AsNO3)2(H2O)3], (III)}, in ...

  14. Bacillus thuringiensis subsp. kurstaki HD1 as a factory to synthesize alkali-labile ChiA74∆sp chitinase inclusions, Cry crystals and spores for applied use

    Science.gov (United States)

    2014-01-01

    Background The endochitinase ChiA74 is a soluble secreted enzyme produced by Bacillus thuringiensis that synergizes the entomotoxigenecity of Cry proteins that accumulate as intracellular crystalline inclusion during sporulation. The purpose of this study was to produce alkaline-soluble ChiA74∆sp inclusions in B. thuringiensis, and to determine its effect on Cry crystal production, sporulation and toxicity to an important agronomical insect, Manduca sexta. To this end we deleted the secretion signal peptide-coding sequence of chiA74 (i.e. chiA74∆sp) and expressed it under its native promoter (pEHchiA74∆sp) or strong chimeric sporulation-dependent cytA-p/STAB-SD promoter (pEBchiA74∆sp) in Escherichia coli, acrystalliferous B. thuringiensis (4Q7) and B. thuringiensis HD1. Results Based on mRNA analyses, up to ~9-fold increase in expression of chiA74∆sp was observed using the cytA-p/STAB-SD promoter. ChiA74∆sp (~70 kDa) formed intracellular inclusions that frequently accumulated at the poles of cells. ChiA74∆sp inclusions were dissolved in alkali and reducing conditions, similar to Cry crystals, and retained its activity in a wide range of pH (5 to 9), but showed a drastic reduction (~70%) at pH 10. Chitinase activity of E. coli-pEHchiA74∆sp was ~150 mU/mL, and in E. coli-pEBchiA74∆sp, 250 mU/mL. 4Q7-pEBchiA74∆sp and 4Q7-pEHchiA74∆sp had activities of ~127 mU/mL and ~41 mU/mL, respectively. The endochitinase activity in HD1-pEBchiA74∆sp increased 42x when compared to parental HD1 strain. HD1-pEBchiA74∆sp and HD1 harbored typical bipyramidal Cry inclusions, but crystals in the recombinant were ~30% smaller. Additionally, a 3x increase in the number of viable spores was observed in cultures of the recombinant strain when compared to HD1. Bioassays against first instar larvae of M. sexta with spore-crystals of HD1 or spore-crystal-ChiA74∆sp inclusions of HD1-pEBchiA74∆sp showed LC50s of 67.30 ng/cm2 and 41.45 ng/cm2, respectively

  15. The first pseudo-ternary thiocyanate containing two alkali metals. Synthesis and single-crystal structure of LiK2[SCN]3

    International Nuclear Information System (INIS)

    Reckeweg, Olaf; DiSalvo, Francis J.

    2016-01-01

    A procedure was empirically developed to prepare the compound LiK 2 [SCN] 3 , which forms colorless, transparent, very fragile, and extremely hygroscopic thin rectangular plates. Its unique crystal structure was determined by single-crystal X-ray diffraction. LiK 2 [SCN] 3 adopts the orthorhombic space group Pna2 1 (no. 33, Z = 4) with the cell parameters a = 1209.32(9), b = 950.85(9), and c = 849.95(6) pm.

  16. ALKALI RESISTANT CATALYST

    DEFF Research Database (Denmark)

    2008-01-01

    of alkali metal and/or alkali-earth compounds which process comprises using a catalyst combined of (i) a formed porous superacidic support, said superacidic support having an Hammett acidity stronger than Ho=-12, and (ii) a metal oxide catalytic component deposited on said superacidic support selected from...

  17. The first pseudo-ternary thiocyanate containing two alkali metals. Synthesis and single-crystal structure of LiK{sub 2}[SCN]{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

    2016-04-01

    A procedure was empirically developed to prepare the compound LiK{sub 2}[SCN]{sub 3}, which forms colorless, transparent, very fragile, and extremely hygroscopic thin rectangular plates. Its unique crystal structure was determined by single-crystal X-ray diffraction. LiK{sub 2}[SCN]{sub 3} adopts the orthorhombic space group Pna2{sub 1} (no. 33, Z = 4) with the cell parameters a = 1209.32(9), b = 950.85(9), and c = 849.95(6) pm.

  18. Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO38

    Directory of Open Access Journals (Sweden)

    Qiaoling Chen

    2016-12-01

    Full Text Available A new nonlinear optical (NLO material, RbNa5Ca5(CO38, has been synthesized by the hydrothermal method. The crystal structure is established by single-crystal X-ray diffraction. RbNa5Ca5(CO38 crystallizes in the hexagonal crystal system with space group P63mc (No. 186. The structure of RbNa5Ca5(CO38 can be described as the adjacent infinite [CaCO3]∞ layers lying in the a-b plane bridged through standing-on-edge [CO3] groups by sharing O atoms (two-fold coordinated to build a framework with four types of tunnels running through the b-axis. The Rb, Na, and [Na0.67Ca0.33] atoms reside in these tunnels, respectively. The measurement of second harmonic generation (SHG indicated that RbNa5Ca5(CO38 is a phase-matchable material, which had SHG responses of approximately 1×KH2PO4 (KDP. Meanwhile, the results from the UV-VIS diffuse reflectance spectroscopy study of the powder samples indicated that the UV cut-off edges of RbNa5Ca5(CO38 is about 203 nm.

  19. Crystal structures of hydrates of simple inorganic salts. III. Water-rich aluminium halide hydrates: AlCl3 · 15H2O, AlBr3 · 15H2O, AlI3 · 15H2O, AlI3 · 17H2O and AlBr3 · 9H2O.

    Science.gov (United States)

    Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang

    2014-09-01

    Water-rich aluminium halide hydrate structures are not known in the literature. The highest known water content per Al atom is nine for the perchlorate and fluoride. The nonahydrate of aluminium bromide, stable pentadecahydrates of aluminium chloride, bromide and iodide, and a metastable heptadecahydrate of the iodide have now been crystallized from low-temperature solutions. The structures of these hydrates were determined and are discussed in terms of the development of cation hydration spheres. The pentadecahydrate of the chloride and bromide are isostructural. In AlI(3) · 15H2O, half of the Al(3+) cations are surrounded by two complete hydration spheres, with six H2O in the primary and 12 in the secondary. For the heptadecahydrate of aluminium iodide, this hydration was found for every Al(3+).

  20. Charged-soft-sphere potentials for trivalent metal halides

    International Nuclear Information System (INIS)

    Erbolukbas, A.; Akdeniz, Z.; Tosi, M.P.

    1991-09-01

    Octahedral-type coordination by halogens in the liquid state has been reported for a number of trivalent metal ions from diffraction and Raman scattering experiments on their molten trihalides and from Raman scattering spectroscopy of liquid mixtures of trihalides with alkali halides. We analyze the available data on bond lengths and Raman frequencies by treating an isolated (MX 6 ) 3- species within a model which adopts charged-soft-sphere interionic potentials supplemented by an account of ionic polarization. The trivalent metal ions that we consider are M = La, Ce, Pr, Nd, Sm, Gd, Dy and Y for X = Cl and M = Al for X = F. The main result of the analysis is the prediction of trends in the soft-sphere repulsive parameters for the trivalent metal ions, leading to estimates of all the vibrational frequencies and the binding energy of such octahedral species. (author). 26 refs, 1 fig., 4 tabs

  1. 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.

  2. Organic halide electroreduction on silver

    Energy Technology Data Exchange (ETDEWEB)

    Fiori, G.; Mussini, P.; Rondinini, S.; Vertova, A. [Milan Univ., Milan (Italy). Dept. of Physical Chemistry and Electrochemistry

    2001-04-01

    Silver, whose extraordinary electrolytically properties for organic halide reduction have been recently evidenced, has been used as cathode material for systematic preparative electrolyses in membrane-divided cells. To better elucidate the substrate role on the remarkable positive shift of reduction potentials, and on the cage effect i. e. the promotion of intermolecular reaction on adsorbed intermediates, three halide substrate patterns are here compared in terms of both voltammetric characterization and preparative electroreduction products: aliphatic halides (adamantanes), aromatic halides (phenols) and anomeric glycosyl halides. The preparative electroreductions result mainly in dimerization in the case of glycosyl halides, in H {yields} Br substitution in the case of bromophenols, in dimerization + substitution in the case of haloadamantanes. The product analysis, both at the end of the reaction and at intermediate times, allows discussing the reaction pathways in terms of intermediate stability and of active surface accessibility. The possibility of complete dehalogenation on a wider substrate variety with remarkably lower energy consumption and almost quantitative current yields makes the process potentially very interesting for environmental purposes. [Italian] L'argento, di cui sono state recentemente evidenziate straordinarie proprieta' elettrocatalitiche per la riduzione degli alogenuri organici, e' stato utilizzato come materiale catodico per sistematiche elettrolisi preparative in celle a membrana. Per mettere in risalto il ruolo del substrato organico sul notevole anticipo del potenziale di riduzione e sull'effetto gabbia, ovvero la promozione di reazioni intermolecolari su intermedi adsorbiti, vengono qui confrontate, in termini sia di caratterizzazione voltammetrica sia di prodotti di elettroriduzioni preparative, tre tipologie di alogenuri: alifatici (adamantani), aromatici (fenoli) e glicosidici. Le elettroriduzioni preparative

  3. Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-amino-phenyl-arsonic acid.

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D

    2017-02-01

    The structures of the alkali metal (K, Rb and Cs) complex salts with 4-amino-phenyl-arsonic acid ( p -arsanilic acid) manifest an isotypic series with the general formula [ M 2 (C 6 H 7 AsNO 3 ) 2 (H 2 O) 3 ], with M = K {poly[di-μ 3 -4-amino-phenyl-arsonato-tri-μ 2 -aqua-dipotassium], [K 2 (C 6 H 7 AsNO 3 ) 2 (H 2 O) 3 ], (I)}, Rb {poly[di-μ 3 -4-amino-phenyl-arsonato-tri-μ 2 -aqua-dirubidium], [Rb 2 (C 6 H 7 AsNO 3 ) 2 (H 2 O) 3 ], (II)}, and Cs {poly[di-μ 3 -4-amino-phenyl-arsonato-tri-μ 2 -aqua-dirubidium], [Cs 2 (C 6 H 7 AsNO 3 ) 2 (H 2 O) 3 ], (III)}, in which the repeating structural units lie across crystallographic mirror planes containing two independent and different metal cations and a bridging water mol-ecule, with the two hydrogen p -arsanilate ligands and the second water mol-ecule lying outside the mirror plane. The bonding about the two metal cations in all complexes is similar, one five-coordinate, the other progressing from five-coordinate in (I) to eight-coordinate in both (II) and (III), with overall M -O bond-length ranges of 2.694 (5)-3.009 (7) (K), 2.818 (4)-3.246 (4) (Rb) and 2.961 (9)-3.400 (10) Å (Cs). The additional three bonds in (II) and (III) are the result of inter-metal bridging through the water ligands. Two-dimensional coordination polymeric structures with the layers lying parallel to (100) are generated through a number of bridging bonds involving the water mol-ecules (including hydrogen-bonding inter-actions), as well as through the arsanilate O atoms. These layers are linked across [100] through amine N-H⋯O hydrogen bonds to arsonate and water O-atom acceptors, giving overall three-dimensional network structures.

  4. Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-amino­phenyl­arsonic acid

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D.

    2017-01-01

    The structures of the alkali metal (K, Rb and Cs) complex salts with 4-amino­phenyl­arsonic acid (p-arsanilic acid) manifest an isotypic series with the general formula [M 2(C6H7AsNO3)2(H2O)3], with M = K {poly[di-μ3-4-amino­phenyl­arsonato-tri-μ2-aqua-dipotassium], [K2(C6H7AsNO3)2(H2O)3], (I)}, Rb {poly[di-μ3-4-amino­phenyl­arsonato-tri-μ2-aqua-dirubidium], [Rb2(C6H7AsNO3)2(H2O)3], (II)}, and Cs {poly[di-μ3-4-amino­phenyl­arsonato-tri-μ2-aqua-dirubidium], [Cs2(C6H7AsNO3)2(H2O)3], (III)}, in which the repeating structural units lie across crystallographic mirror planes containing two independent and different metal cations and a bridging water mol­ecule, with the two hydrogen p-arsanilate ligands and the second water mol­ecule lying outside the mirror plane. The bonding about the two metal cations in all complexes is similar, one five-coordinate, the other progressing from five-coordinate in (I) to eight-coordinate in both (II) and (III), with overall M—O bond-length ranges of 2.694 (5)–3.009 (7) (K), 2.818 (4)–3.246 (4) (Rb) and 2.961 (9)–3.400 (10) Å (Cs). The additional three bonds in (II) and (III) are the result of inter-metal bridging through the water ligands. Two-dimensional coordination polymeric structures with the layers lying parallel to (100) are generated through a number of bridging bonds involving the water mol­ecules (including hydrogen-bonding inter­actions), as well as through the arsanilate O atoms. These layers are linked across [100] through amine N—H⋯O hydrogen bonds to arsonate and water O-atom acceptors, giving overall three-dimensional network structures. PMID:28217343

  5. Tris(bipyridineMetal(II-Templated Assemblies of 3D Alkali-Ruthenium Oxalate Coordination Frameworks: Crystal Structures, Characterization and Photocatalytic Activity in Water Reduction

    Directory of Open Access Journals (Sweden)

    Alla Dikhtiarenko

    2016-02-01

    Full Text Available A series of 3D oxalate-bridged ruthenium-based coordination polymers with the formula of {[ZII(bpy3][MIRu(C2O43]}n (ZII = Zn2+ (1, Cu2+ (3, 4, Ru2+ (5, 6, Os2+ (7, 8; MI = Li+, Na+; bpy = 2,2’-bipyridine and {[ZnII(bpy3](H2O[LiRu(C2O43]}n (2 has been synthesized at room temperature through a self-assembly reaction in aqueous media and characterized by single-crystal and powder X-ray diffraction, elemental analysis, infrared and diffuse reflectance UV–Vis spectroscopy and thermogravimetric analysis. The crystal structures of all compounds comprise chiral 3D honeycomb-like polymeric nets of the srs-type, which possess triangular anionic cages where [ZII(bpy3]2+ cationic templates are selectively embedded. Structural analysis reveals that the electronic configuration of the cationic guests is affected by electrostatic interaction with the anionic framework. Moreover, the MLCT bands gaps values for 1–8 can be tuned in a rational way by judicious choice of [ZII(bpy3]2+ guests. The 3D host-guest polymeric architectures can be used as self-supported heterogeneous photocatalysts for the reductive splitting of water, exhibiting photocatalytic activity for the evolution of H2 under UV light irradiation.

  6. Self-Organized Superlattice and Phase Coexistence inside Thin Film Organometal Halide Perovskite.

    Science.gov (United States)

    Kim, Tae Woong; Uchida, Satoshi; Matsushita, Tomonori; Cojocaru, Ludmila; Jono, Ryota; Kimura, Kohei; Matsubara, Daiki; Shirai, Manabu; Ito, Katsuji; Matsumoto, Hiroaki; Kondo, Takashi; Segawa, Hiroshi

    2018-02-01

    Organometal halide perovskites have attracted widespread attention as the most favorable prospective material for photovoltaic technology because of their high photoinduced charge separation and carrier transport performance. However, the microstructural aspects within the organometal halide perovskite are still unknown, even though it belongs to a crystal system. Here direct observation of the microstructure of the thin film organometal halide perovskite using transmission electron microscopy is reported. Unlike previous reports claiming each phase of the organometal halide perovskite solely exists at a given temperature range, it is identified that the tetragonal and cubic phases coexist at room temperature, and it is confirmed that superlattices composed of a mixture of tetragonal and cubic phases are self-organized without a compositional change. The organometal halide perovskite self-adjusts the configuration of phases and automatically organizes a buffer layer at boundaries by introducing a superlattice. This report shows the fundamental crystallographic information for the organometal halide perovskite and demonstrates new possibilities as promising materials for various applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Energy transfer in crystalline alkali nitrates

    Energy Technology Data Exchange (ETDEWEB)

    Anan' ev, Vladimir [Department of Analytical Chemistry, Kemerovo State University, Krasnaya Str., 6, Kemerovo 650043 (Russian Federation)]. E-mail: eprlab@kemsu.ru

    2007-08-15

    The radiation annealing of peroxynitrite ions in pre-photolyzed (253.7nm) alkali nitrate crystals has been studied. This process is stated to be due to interaction with high-energy excited states of the nitrate ion symmetry E' than to low-energy excited states symmetry A{sub 1}{sup '}'. The distance of energy transfer has been found to be {approx}10nm.

  8. Cs7Sm11[TeO3]12Cl16 and Rb7Nd11[TeO3]12Br16, the new tellurite halides of the tetragonal Rb6LiNd11[SeO3]12Cl16 structure type

    Science.gov (United States)

    Charkin, Dmitri O.; Black, Cameron; Downie, Lewis J.; Sklovsky, Dmitry E.; Berdonosov, Peter S.; Olenev, Andrei V.; Zhou, Wuzong; Lightfoot, Philip; Dolgikh, Valery A.

    2015-12-01

    Two new rare-earth - alkali - tellurium oxide halides were synthesized by a salt flux technique and characterized by single-crystal X-ray diffraction. The structures of the new compounds Cs7Sm11[TeO3]12Cl16 (I) and Rb7Nd11[TeO3]12Br16 (II) (both tetragonal, space group I4/mcm) correspond to the sequence of [MLn11(TeO3)12] and [M6X16] layers and bear very strong similarities to those of known selenite analogs. We discuss the trends in similarities and differences in compositions and structural details between the Se and Te compounds; more members of the family are predicted.

  9. Nickel(II) complexes of N2S2 donor set ligand and halide ...

    Indian Academy of Sciences (India)

    Nickel(II) complexes of N2S2 donor set ligand and halide/pseudohalides: Synthesis, crystal structure, DNA and bovine/human serum albumin interaction. ANIMESH PATRAa ..... sitive to the length changes of nucleic acids, and so a classical intercalation mode should be indicated by a lengthening of the DNA double chain, ...

  10. crystal

    Science.gov (United States)

    Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu

    2014-07-01

    A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.

  11. Alkali metal ion battery with bimetallic electrode

    Science.gov (United States)

    Boysen, Dane A; Bradwell, David J; Jiang, Kai; Kim, Hojong; Ortiz, Luis A; Sadoway, Donald R; Tomaszowska, Alina A; Wei, Weifeng; Wang, Kangli

    2015-04-07

    Electrochemical cells having molten electrodes having an alkali metal provide receipt and delivery of power by transporting atoms of the alkali metal between electrode environments of disparate chemical potentials through an electrochemical pathway comprising a salt of the alkali metal. The chemical potential of the alkali metal is decreased when combined with one or more non-alkali metals, thus producing a voltage between an electrode comprising the molten the alkali metal and the electrode comprising the combined alkali/non-alkali metals.

  12. Local structure of alkalis in mixed-alkali borate glass to elucidate the origin of mixed-alkali effect

    Directory of Open Access Journals (Sweden)

    Yomei Tokuda

    2015-12-01

    Full Text Available We report the structural analysis of Na+ and Cs+ in sodium cesium borate crystals and glasses using 23Na and 133Cs magic-angle spinning nuclear magnetic resonance (MAS NMR spectroscopy. The composition dependence of NMR spectra of the borate was similar to that of the silicate: (1 the peak position of cesium borate crystals shifted to upfield for structures with larger Cs+ coordination numbers, (2 the MAS NMR spectra of xNa2O-yCs2O-3B2O3 (x = 0, 0.25, 0.5, 0.75, 1.0, x + y = 1 glass showed that the average coordination number (CN of both the alkali cations decreases with increasing Cs+/(Na+ + Cs+ ratio. However, the degree of decrement in borates is much smaller than that in silicates. We have considered that the small difference in CN is due to 4-coordinated B, because it is electrically compensated by the alkali metal ions resulting in the restriction of having various coordinations of O to alkali metal.

  13. Dehydrated rare earth halides and production process

    International Nuclear Information System (INIS)

    Picard, F.

    1990-01-01

    Rare earth chlorides, bromides or iodides containing less than 1 wt% water and less than 3 wt% oxyhalide are dehydrated by a gas flow of hydrogen halide through the halide bed. Structural water can interfer in some applications for instance metal preparation by chemical or electrochemical reduction [fr

  14. Multiplication of electronic excitations and prospects for increasing scintillation efficiency in wide-gap crystals

    International Nuclear Information System (INIS)

    Lushchik, Aleksandr; Kirm, Marco; Lushchik, Cheslav; Martinson, Indrek; Nagirnyi, Vitali; Savikhin, Fjodor; Vasil'chenko, Eugeni

    2005-01-01

    A comparative analysis of the electron-hole (e-h) excitation mechanism of impurity luminescence has been performed for wide-gap oxides (WGO) and alkali halides crystals (AHC). A low quantum yield of scintillation in WGO with respect to that in AHC is connected with the high value of the average energy needed for the creation of an e-h pair in WGO. In AHC and many WGO, the width of a valence band Ev is smaller than the energy gap Eg and hot valence holes are not able to create any secondary e-h pairs. The Ev/Eg ratio that describes 'hole losses' in scintillators is 1.5-2.0 times higher in WGO than in CsI. The scenario of the two-step transformation of an e-h pair or an anion exciton into two emitted photons in α-Al 2 O 3 :Mg 2+ ,Ti 4+ has been considered

  15. Temperature dependence of volume thermal expansion for NaCl and KCl crystals

    International Nuclear Information System (INIS)

    Fang Zhenghua

    2005-01-01

    A new relation for predicting volume thermal expansion of alkali halides at high temperatures is derived based on the assumption that the two different diffusional driving force models presented, respectively, by Sharma and Sharma (Indian J. Pure Appl. Phys. 29 (1991) 637) and Singh (J. Phys. Chem. Solids 63 (2002) 1935) are equivalent. The input parameters needed for the calculation are the volume thermal expansion coefficient and the isothermal Anderson-Gruneisen parameter, both at room temperature and zero pressure, which are available from the literature. The tests on NaCl and KCl crystals demonstrate that the agreement between the calculated results obtained by this relation and the corresponding experimental data is very good. The applicability of the relation as well as some thermodynamic relationships included in its derivation is discussed

  16. Methods of recovering alkali metals

    Science.gov (United States)

    Krumhansl, James L; Rigali, Mark J

    2014-03-04

    Approaches for alkali metal extraction, sequestration and recovery are described. For example, a method of recovering alkali metals includes providing a CST or CST-like (e.g., small pore zeolite) material. The alkali metal species is scavenged from the liquid mixture by the CST or CST-like material. The alkali metal species is extracted from the CST or CST-like material.

  17. ALKALI FUSION OF ROSETTA ZIRCON

    International Nuclear Information System (INIS)

    DAHER, A.

    2008-01-01

    The decomposition of Rosetta zircon by fusion with different types of alkalis has been investigated. These alkalis include sodium hydroxide, potassium hydroxide and eutectic mixture of both. The influences of the reaction temperature, zircon to alkalis ratio, fusion time and the stirring of the reactant on the fusion reaction have been evaluated. The obtained results favour the decomposition of zircon with the eutectic alkalis mixture by a decomposition efficiency of 96% obtained at 500 0 C after one hour

  18. Alkali elemental and potassium isotopic compositions of Semarkona chondrules

    Science.gov (United States)

    Alexander, C.M. O'D.; Grossman, J.N.

    2005-01-01

    We report measurements of K isotope ratios in 28 Semarkona chondrules with a wide range of petrologic types and bulk compositions as well as the compositions of CPX-mesostasis pairs in 17 type I Semarkona chondrules, including two chondrules with radial alkali zonation and 19 type II chondrules. Despite the wide range in K/Al ratios, no systematic variations in K isotopic compositions were found. Semarkona chondrules do not record a simple history of Rayleigh-type loss of K. Experimentally determined evaporation rates suggest that considerable alkali evaporation would have occurred during chondrule formation. Nevertheless, based on Na CPX-mesostasis distribution coefficients, the alkali contents of the cores of most chondrules in Semarkona were probably established at the time of final crystallization. However, Na CPX-mesostasis distribution coefficients also show that alkali zonation in type I Semarkona chondrules was produced by entry of alkalis after solidification, probably during parent body alteration. This alkali metasomatism may have gone to completion in some chondrules. Our preferred explanation for the lack of systematic isotopic enrichments, even in alkali depleted type I chondrule cores, is that they exchanged with the ambient gas as they cooled. ?? The Meteoritical Society, 2005.

  19. Current state and perspectives for organo-halide perovskite solar cells. Part 1. Crystal structures and thin film formation, morphology, processing, degradation, stability improvement by carbon nanotubes. A review

    Directory of Open Access Journals (Sweden)

    Nigmat Ashurov

    2017-03-01

    Full Text Available The fundamental problems of the modern state of the studies of organic–inorganic organo-halide perovskites (OHP as basis for high efficiency thin film solar cells are discussed. Perovskite varieties and background properties are introduced. The chronology of development of the studies in this direction has been presented – structural aspects of these OHP perovskites, from early 2D to recent 3D MAPbI3 perovskites and important technological aspects of smooth thin film structure creation by various techniques, such as solvent engineering, spin- and dip - coating, vacuum deposition, cation exchange approach, nanoimprinting (particularly, a many-sided role of polymers. The most important theoretical problems such as electronic structure of lattice, impurity and defect states in pure and mixed perovskites, suppressed electron-hole recombination, extra-long lifetimes, and diffusion lengths are analyzed. Degradation effects associated with moisture and photo irradiation, as well as degradation of metallic electrodes to OHP solar cells have been considered. The application of carbon nanostructures: carbon nanotubes (CNT and graphene as stable semitransparent charge collectors to OHP perovskites is demonstrated on the example of original results of authors.

  20. Spectra of alkali atoms

    International Nuclear Information System (INIS)

    Santoso, Budi; Arumbinang, Haryono.

    1981-01-01

    Emission spectra of alkali atoms has been determined by using spectrometer at the ultraviolet to infra red waves range. The spectra emission can be obtained by absorption spectrophotometric analysis. Comparative evaluations between experimental data and data handbook obtained by spark method were also presented. (author tr.)

  1. 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

  2. ICES studies on 99mTc-halide complexes: formation, hydrolysis and ligand exchange

    International Nuclear Information System (INIS)

    Fiser, M.; Brabec, V.; Dragoun, O.; Kovalik, A.; Rysavy, M.; Dragounova, N.

    1988-01-01

    The Internal Conversion Electron Spectroscopy (ICES) method was employed to study the products of reduction of no-carrier-added [ 99m Tc]pertechnetate by concentrated hydrochloric, hydrobromic and hydroiodic acids. The reductions were carried out in vacuum with subbsequent evaporation of the solution to dryness. In the solid deposits, containing ∼ 10 -9 g Tc, chemical shifts of 99m Tc electron binding energies were measured and the results were compared with known data of x-ray photoelectron spectroscopy for defined technetium compounds. It was evidenced that all reduction/evaporation procedures yielded 99m Tc(IV)-halide complexes. Another technique of reduction by vapours of halogen acids was proposed to prepare thin radioactive sources for physics studies. The reduction power of alkali halides in absence of acids was examined and a partial reduction of pertechnetate by iodide was found. The product was a hydrolysed species. The hydrolysis of halide complexes yielded the same product. In the absence of acids, dissolved species were partly oxidised to Tc(VII) by air. Oxidation was most apparent for the chloride and negligible for the iodide system. Ligand exchange of chloro and bromo complexes to chelate with DTPA at pH 3 was found to be uncomplete. Tc(IV) hydrolysed species, Tc(IV)DTPA and Tc(VII) were evidenced. Tc(V)DTPA was also observed which arises from partially oxidised products. (author)

  3. 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.

  4. Chlor-alkali electrolysis

    International Nuclear Information System (INIS)

    Sammer, G.

    2001-01-01

    The chlor-alkali industry produces simultaneously chlorine (Cl 2 ) and caustic soda (NaOH) by decomposition of a salt solution in water. Additionally to the chlorine and caustic soda, hydrogen (H 2 ) is produced. The global production capacity of chlorine in 1995 was approximately 44 million tons. The development of the chlorine production capacity in Western Europe since 1960 is presented. The most important chlorine producer in Western Europe is Germany with 38 % of the annual chlorine capacity of Western Europe. The chlorine capacity in 1997 in different Western European countries and their share an the total capacity in Western Europe is also presented. World-wide several processes are available for the production of chlorine and caustic soda. The most important routes are the following: ion exchange membrane process; mercury cell process; diaphragm process. Several other processes are available but do not have a significant contribution to the total production. The geographical distribution of the processes differs widely. In Japan the membrane process is predominate with 73 %, in the United States the diaphragm process with 75 %, whereas in Western Europe the mercury cell process is the most important one (64 %) [EIPPCB, 2000]. Approximately 65 % of the global chlorine capacity is located in these three regions. A comparison of the relative contribution of different production technologies to the chlor-alkali capacity in these three regions and in the world in 1994 is given. The distribution of processes and capacities of chlor-alkali plants in some European countries is presented (October 1999). Note that any one plant can have more than one cell technology installed. (author)

  5. The alkali-aggregate reaction - concrete microstructure evolution

    International Nuclear Information System (INIS)

    Regourd, M.; Hornain, H.; Poitevin, P.

    1981-01-01

    The alkali-aggregate reaction has been studied by scanning electron microscopy and energy dispersive X-ray analysis, electron probe microanalysis, and X-ray diffraction in concretes containing glass aggregates or hornfels and greywacke aggregates. The surface reaction of the natural aggregates in alkaline solutions has been analysed by X-ray photo-electron spectrometry. The study of concretes with glass aggregates stored at 20 degrees Celcius and 100 percent relative humidity has revealed, irrespective of alkali content and type of cement, the formation of a gel containing SiO 2 , Na 2 O, CaO, MgO and Al 2 O 3 . Under heat and pressure (210 degrees Celcius at MPa for 48 hours), the gel crystallizes and yields silicates not very different from tobermorite found in autoclaved normal concretes but cotaining Na and K in solid solutions. The alkali reaction in two natural aggregate concretes, is also shown by the formation of gels and silicate crystals. The progressive structuring of the gels in silicate crystals is promoted by an increase in temperature. Ettringite and Ca(OH) 2 reinforce the alkali-aggregate reaction which may be looked upon as a hydration reaction, partially of the pozzolanic type

  6. Heidelberg polarized alkali source

    International Nuclear Information System (INIS)

    Kraemer, D.; Steffens, E.; Jaensch, H.; Philipps Universitaet, Marburg, Germany)

    1984-01-01

    A new atomic beam type polarized alkali ion source has been installed at Heidelberg. In order to improve the beam polarization considerably optical pumping is applied in combination with an adiabatic medium field transition which results in beams in single hyperfine sublevels. The m state population is determined by laser-induced fluorescence spectroscopy. Highly polarized beams (P/sub s/ > 0.9, s = z, zz) with intensities of 30 to 130 μA can be extracted for Li + and Na + , respectively

  7. Ultralow thermal conductivity in all-inorganic halide perovskites.

    Science.gov (United States)

    Lee, Woochul; Li, Huashan; Wong, Andrew B; Zhang, Dandan; Lai, Minliang; Yu, Yi; Kong, Qiao; Lin, Elbert; Urban, Jeffrey J; Grossman, Jeffrey C; Yang, Peidong

    2017-08-15

    Controlling the flow of thermal energy is crucial to numerous applications ranging from microelectronic devices to energy storage and energy conversion devices. Here, we report ultralow lattice thermal conductivities of solution-synthesized, single-crystalline all-inorganic halide perovskite nanowires composed of CsPbI 3 (0.45 ± 0.05 W·m -1 ·K -1 ), CsPbBr 3 (0.42 ± 0.04 W·m -1 ·K -1 ), and CsSnI 3 (0.38 ± 0.04 W·m -1 ·K -1 ). We attribute this ultralow thermal conductivity to the cluster rattling mechanism, wherein strong optical-acoustic phonon scatterings are driven by a mixture of 0D/1D/2D collective motions. Remarkably, CsSnI 3 possesses a rare combination of ultralow thermal conductivity, high electrical conductivity (282 S·cm -1 ), and high hole mobility (394 cm 2 ·V -1 ·s -1 ). The unique thermal transport properties in all-inorganic halide perovskites hold promise for diverse applications such as phononic and thermoelectric devices. Furthermore, the insights obtained from this work suggest an opportunity to discover low thermal conductivity materials among unexplored inorganic crystals beyond caged and layered structures.

  8. Fabrication and characterization of rubidium/formamidinium-incorporated methylammonium-lead-halide perovskite solar cells

    Science.gov (United States)

    Kato, Masataka; Suzuki, Atsushi; Ohishi, Yuya; Tanaka, Hiroki; Oku, Takeo

    2018-01-01

    Fabrication and characterization of perovskite solar cells using mesoporous TiO2 as an electron transporting layer and 2,2',7,7'-tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'-spirobifluorene as a hole-transporting layer were performed for improving the photovoltaic performance. Additive effects of formamidinium (FA), rubidium (Rb), chlorine (Cl) and bromine (Br) into the methylammonium-lead-halide perovskite crystal on the photovoltaic properties and microstructures were investigated. The photovoltaic parameters of short-circuit current density, conversion efficiency, the surface morphology and domain in the perovskite crystal were characterized. The slight addition of FACl and RbBr to the CH3NH3PbI3 crystal provided homogeneous microstructures with the dispersed crystal domains, which improved the photovoltaic performance. The excess addition of Cl to the perovskite crystal caused nanorod-like crystals, which degraded the photovoltaic performance.

  9. NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH2)3]CdI3 and [4-ClC6H5NH3]3CdBr5

    International Nuclear Information System (INIS)

    Gesing, Thorsten M.; Lork, Enno; Terao, Hiromitsu; Ishihara, Hideta

    2016-01-01

    The crystal structures of [C(NH 2 ) 3 ]CdI 3 (1) and [4-ClC 6 H 5 NH 3 ] 3 CdBr 5 (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2 1 /c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI 4 ] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr 6 ] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three 127 I (m = ±1/2 <-> m = ±3/2), five 81 Br, and three 35 Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd 5 I 16 ] 6- for 1 and [Cd 3 Br 16 ] 10- for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

  10. Strong Electron–Phonon Coupling and Self-Trapped Excitons in the Defect Halide Perovskites A 3 M 2 I 9 (A = Cs, Rb; M = Bi, Sb)

    Energy Technology Data Exchange (ETDEWEB)

    McCall, Kyle M.; Stoumpos, Constantinos C.; Kostina, Svetlana S.; Kanatzidis, Mercouri G.; Wessels, Bruce W.

    2017-04-26

    The optical and electronic properties of Bridgman grown single crystals of the wide-bandgap semiconducting defect halide perovskites A3M2I9 (A = Cs, Rb; M = Bi, Sb) have been investigated. Intense Raman scattering was observed at room temperature for each compound, indicating high polarizability and strong electron–phonon coupling. Both low-temperature and room-temperature photoluminescence (PL) were measured for each compound. Cs3Sb2I9 and Rb3Sb2I9 have broad PL emission bands between 1.75 and 2.05 eV with peaks at 1.96 and 1.92 eV, respectively. The Cs3Bi2I9 PL spectra showed broad emission consisting of several overlapping bands in the 1.65–2.2 eV range. Evidence of strong electron–phonon coupling comparable to that of the alkali halides was observed in phonon broadening of the PL emission. Effective phonon energies obtained from temperature-dependent PL measurements were in agreement with the Raman peak energies. A model is proposed whereby electron–phonon interactions in Cs3Sb2I9, Rb3Sb2I9, and Cs3Bi2I9 induce small polarons, resulting in trapping of excitons by the lattice. The recombination of these self-trapped excitons is responsible for the broad PL emission. Rb3Bi2I9, Rb3Sb2I9, and Cs3Bi2I9 exhibit high resistivity and photoconductivity response under laser photoexcitation, indicating that these compounds possess potential as semiconductor hard radiation detector materials.

  11. Microscopic structure of the alkali metal-alkali halide solutions in the metallic regime. A neutron-scattering investigation

    International Nuclear Information System (INIS)

    Jal, J.F.; Mathieu, C.; Dupuy, J.; Chieux, P.

    1990-01-01

    The partial structure factors have been measured for two compositions (x = 0.8; x = 0.6) in the metallic regime of the solutions K x (KCl) 1-x . The potassium-potassium partials are compared with the pure potassium structure factor measured at 700 0 C. Ionic-like characteristics are obtained for the partials, even for x = 0.8. The number of potassium atoms surrounding chlorine is about four, suggesting rather open structures. Details are given on the data analysis of this difficult experiment. (author)

  12. Harmonic dynamical behaviour of thallous halides

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... Harmonic dynamical behaviour of thallous halides (TlCl and TlBr) have been studied using the new van der Waals three-body force shell model (VTSM), which incorporates the effects of the van der Waals interaction along with long-range Coulomb interactions, three-body interactions and short-range ...

  13. Unraveling halide hydration: A high dilution approach

    Science.gov (United States)

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

    2014-07-01

    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 (Δ G^{ominus }_{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 Δ G^{ominus }_{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.

  14. 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

  15. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

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

    2013-01-01

    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...

  16. Upgrading platform using alkali metals

    Science.gov (United States)

    Gordon, John Howard

    2014-09-09

    A process for removing sulfur, nitrogen or metals from an oil feedstock (such as heavy oil, bitumen, shale oil, etc.) The method involves reacting the oil feedstock with an alkali metal and a radical capping substance. The alkali metal reacts with the metal, sulfur or nitrogen content to form one or more inorganic products and the radical capping substance reacts with the carbon and hydrogen content to form a hydrocarbon phase. The inorganic products may then be separated out from the hydrocarbon phase.

  17. Development of alkali activated cements and concrete mixture design with high volumes of red mud

    OpenAIRE

    Krivenko, Pavel; Kovalchuk, Oleksandr; Pasko, Anton; Croymans, Tom; Hutt, Mikael; Lutter, Guillaume; Vandevenne, Niels; Schreurs, Sonja; Schroeyers, Wouter

    2017-01-01

    Dedicated cement compositions were formulated to enable the incorporation of large volume fractions of red mud in alkali activated cements, taking into account the role of the aluminosilicate phase in the processes of hydration and hardening. High volume red mud alkali activated cements were synthesized using a proper combination of red mud, low basic aluminosilicate compounds with a glass phase (blast-furnace slag) and additives selected from high-basic Ca-containing cements with a crystalli...

  18. Alkali silica reaction (ASR) in cement free alkali activated sustainable concrete.

    Science.gov (United States)

    2016-12-19

    This report summarizes the findings of an experimental evaluation into alkali silica : reaction (ASR) in cement free alkali-activated slag and fly ash binder concrete. The : susceptibility of alkali-activated fly ash and slag concrete binders to dele...

  19. The solvent extraction of alkali metal ions with β-diketones

    International Nuclear Information System (INIS)

    Munakata, Megumu; Niina, Syozo; Shimoji, Noboru

    1974-01-01

    This work was undertaken to investigate effects of solvent and chelating-agent on the solvent extraction of alkali metal ions by seven β-diketones, acetylacetone (Acac), benzoylacetone (BzA), dipivaloylmethane (DPM), dibenzoylmethane (DBM), thenoyltrifluoloacetone (TTA), benzoyltrifluoroacetone (BFA) and hexafluoroacetylacetone (HFA), and to separate lithium from alkali metals. The extraction of alkali metals increase with increasing donor power of the solvent: i.e., benzene Na>K>Rb>Cs, which is also the order in which the adduct formation of these β-diketone chelates with donor solvents increase. The adduct formations between β-diketone chelates of alkali metals and donor solvents markedly enhance the solubilities of the chelates in solvents and, consequently, the extractabilities of alkali metals with β-diketones. Lithium was extracted with TTA in ether at such a low base concentration that sodium, potassium, rubidium and cesium were hardly extracted, and this enabled to separate lithium from other metals by the use of rubidium hydroxide (0.02 M). An attempt has been made to isolate alkali metal β-diketone chelates and some chelates have been obtained as crystals. The infrared absorption bands arising from C=O and C.=C of TTA shift to lower frequencies in the alkali metal chelates with TTA, and consequently, β-diketones is suggested to coordinate to alkali metal as a bidentate ligand. (JPN)

  20. Synthesis and characterization of tetravalent actinide orthophosphates with alkali metals

    International Nuclear Information System (INIS)

    Volkov, Yu.F.; Melkaya, R.F.; Spiryakov, V.I.; Timofeev, G.A.

    1995-01-01

    A series of double phosphates of formula AM 2 (PO 4 ) 3 , where A = Li, Na, K, Rb, Cs; M = U, Np, Pu, is prepared by solid-state reactions. Various polymorphic modifications of AM 2 (PO 4 ) 3 are identified by using X-ray diffraction and IR spectroscopic analyses of the products from stepwise annealing. The crystal structure type, thermal stability of the modifications, and nature of the polymorphic transformations depend on the nature of the actinide and alkali metal

  1. Rare earths crystal chemistry

    International Nuclear Information System (INIS)

    Wells, A.F.

    1988-01-01

    From the viewpoint of general crystal chemistry principles and on the basis of modern data the structural chemistry of rare earth compounds in different oxidation degrees (2,3,4) is briefly presented. The change of the structure type of oxides, halides and some other compounds of rare earths, as well as the coordination number of the central atom from lanthanide ionic radius is considered

  2. Structure and bonding in metal-rich compounds: pnictides, chalcides and halides

    International Nuclear Information System (INIS)

    Franzen, H.F.

    1978-01-01

    The subject is reviewed under the following headings: introduction (compounds included in the review; purpose of the review); MX compounds with M = transition metal and X = O,N,S or P; sulfides and selenides of the transition metals; transition-metal phosphides; alkali oxides; transition-metal oxides and nitrides with X/M < 1; metal-rich halides; conclusion. The references number 238. Compounds of the following principal elements of nuclear interest are included in the tables and text: Am, Ce, Cs, Eu, Gd, Hf, La, Mo, Np, Nb, Pu, Pr, Pa, Re, Ru, Sc, Ta, Tb, Th, W, U, V, Y, Zr. The information in the tables is presented under: structure type, space group, lattice parameters and remarks. (U.K.)

  3. Process for the disposal of alkali metals

    International Nuclear Information System (INIS)

    Lewis, L.C.

    1979-01-01

    The invention describes a method of disposing of alkali metals by forming a solid waste for storage. The method comprises preparing an aqueous disposal solution of at least 55 weight percent alkali metal hydroxide, heating the alkali metal to melting temperature to form a feed solution, and spraying the molten feed solution into the disposal solution. The alkali metal reacts with the water in the disposal solution in a controlled reaction which produces alkali metal hydroxide, hydrogen and heat and thereby forms a solution of alkali metal hydroxides. Water is added to the solution in amounts sufficient to maintain the concentration of alkali metal hydroxides in the solution at 70 to 90 weight percent, and to maintain the temperature of the solution at about the boiling point. Removing and cooling the alkali metal hydroxide solution thereby forms a solid waste for storage. The method is particularly applicable to radioactive alkali metal reactor coolant. (auth)

  4. Interaction of the model alkyltrimethylammonium ions with alkali halide salts: an explicit water molecular dynamics study

    Directory of Open Access Journals (Sweden)

    M. Druchok

    2013-01-01

    Full Text Available We present an explicit water molecular dynamics simulation of dilute solutions of model alkyltrimethylammonium surfactant ions (number of methylene groups in the tail is 3, 5, 8, 10, and 12 in mixture with NaF, NaCl, NaBr, and NaI salts, respectively. The SPC/E model is used to describe water molecules. Results of the simulation at 298 K are presented in form of the radial distribution functions between nitrogen and carbon atoms of CH2 groups on the alkyltrimethylammonium ion, and the counterion species in the solution. The running coordination numbers between carbon atoms of surfactants and counterions are also calculated. We show that I- counterion exhibits the highest, and F- the lowest affinity to "bind" to the model surfactants. The results are discussed in view of the available experimental and simulation data for this and similar solutions.

  5. Refractive Index of Alkali Halides and Its Wavelength and Temperature Derivatives.

    Science.gov (United States)

    1975-05-01

    LiCl was made for one spectral line, the sodium D line, by Spangenberg [45] in 1923 using the immer- sion method. For molten LiC1, Zarzyski and Naudin ...for one spectral line, the sodium D line, by Spangenberg [45] using the immersion method. For molten LiBr, Zarzyski and Naudin [441 determined the index...infrared region by Randall [511. Zarzyski and Naudin [44] obtained n for molten NaF at the Hg green line at a temperature of 1273 K. After carefully

  6. A study on the electrochemical behaviour of polypyrrole films in concentrated aqueous alkali halide electrolytes

    DEFF Research Database (Denmark)

    Jafeen, M. J. M.; Careem, M.A.; Skaarup, Steen

    2014-01-01

    transport in concentrated electrolytes is found to be very low. In dilute electrolytes, water molecules accompany counter ions as solvated molecules and due to osmotic effect. In concentrated electrolytes, water movement is less due to limited availability of free water as well as a smaller osmotic pressure...

  7. Heteroepitaxial strain in alkali halide thin films: KCl on NaCl

    DEFF Research Database (Denmark)

    Baker, J.; Lindgård, Per-Anker

    1999-01-01

    We have pet-formed Monte Carlo simulations of the properties of a NaCl (001) surface covered by full or partial layers of KCl, for coverages up to 5 monolayers (ML). A wide variety of structures of the film is found. For integer ML coverages we find the continuous, so-called floating mode rumple ...

  8. Dimensional reductions from 2-D Nb 4P 2S 21 to 1-D ANb 2PS 10 ( A=Na, K, Rb, Cs, Tl) and to 0-D Tl 5[Nb 2S 4C l8]Cl using halide molten salts

    Science.gov (United States)

    Bang, Hyunjin; Kim, Youngmee; Kim, Seri; Kim, Sung-Jin

    2008-08-01

    We found new synthetic routes to obtain 1-D quaternary thiophosphate compounds and a 0-D molecular complex containing a Nb 2S 4 core from a 2-D ternary thiophosphate, Nb 4P 2S 21. When Nb 4P 2S 21 was reacted with alkali metal halides ( ACl; A=Na, K, Rb, Cs) or TlCl at 500-700 °C, the -S-S-S- bridges in 2-D Nb 2PS 10-S-S 10PNb 2 were excised to form a 1-D chain, and cations were inserted between the chains to form ANb 2PS 10 ( A=Na, K, Rb, Cs, Tl). We also found that thallium chloride (TlCl) is an excellent reagent for further excision, and it substitutes chloride ligands for the sulfur ligands of 2-D Nb 4P 2S 21 to form the molecular complex Tl 5[Nb 2S 4Cl 8]Cl. Crystal data for TlNb 2PS 10: monoclinic, Pn, a=6.9452(11) Å, b=7.3761(12) Å, 12.873(2) Å, β=104.472(3)°, and Z=2. Crystal data for Tl 5[Nb 2S 4Cl 8]Cl: orthorhombic, Immm, a=7.001(5) Å, b=9.509(7) Å, c=15.546(11) Å, and Z=2.

  9. 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)

  10. Alkali-vapor laser-excimer pumped alkali laser

    International Nuclear Information System (INIS)

    Yue Desheng; Li Wenyu; Wang Hongyan; Yang Zining; Xu Xiaojun

    2012-01-01

    Based on the research internal and overseas, the principle of the excimer pumped alkali laser (XPAL) is explained, and the advantages and disadvantages of the XPAL are analyzed. Taking into consideration the difficulties that the diode pumped alkali laser (DPAL) meets on its development, the ability to solve or avoid these difficulties of XPAL is also analyzed. By summing up the achievements of the XPAL, the possible further prospect is proposed. The XPAL is of possibility to improve the performance of the DPAL. (authors)

  11. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

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

    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......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....... In this project we are searching for improved mixed materials with optimal desorption temperatures and kinetics, optimally releasing all ammonia in one step. We apply Density Functional Theory, DFT, calculations on mixed compounds selected by a Genetic Algorithm (GA), relying on biological principles of natural...

  12. 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

  13. Evaluation of Ce3+ and alkali metal ions Co-doped LiSrAlF6 crystalline scintillators

    International Nuclear Information System (INIS)

    Wakahara, Shingo; Yanagida, Takayuki; Fujimoto, Yutaka; Yokota, Yuui; Pejchal, Jan; Kurosawa, Shunsuke; Suzuki, Shotaro; Kawaguchi, Noriaki; Fukuda, Kentaro; Yoshikawa, Akira

    2013-01-01

    High scintillation efficiency of Eu-doped LiSrAlF 6 (LiSAF) and LiCaAlF 6 (LiCAF) codoped with alkali metal ions has been reported in our recent studies. Thus in this paper, we demonstrated the scintillation properties of 1% Ce-doped LiSAF crystals with 1% alkali metal ions co-doping to increase the light yield and understand the scintillation mechanism. The crystals showed intense emission band corresponding to the 5d-4f transition of Ce 3+ , and their light yields under thermal neutron excitation were higher than that of the Ce only doped crystal. Especially, the light yield of Ce–Na co-doped crystal exceeded about two times that of Ce only doped one. -- Highlights: ► Ce-doped and alkali metal co-doped LiSAF crystals were grown by μ-PD method. ► Alkali metal co-doped crystals showed higher light yield than Ce only doped crystal. ► Decay time of alkali metal co-doped LiSAF were longer than that of Ce only doped one

  14. Process and composition for drying of gaseous hydrogen halides

    Science.gov (United States)

    Tom, Glenn M.; Brown, Duncan W.

    1989-08-01

    A process for drying a gaseous hydrogen halide of the formula HX, wherein X is selected from the group consisting of bromine, chlorine, fluorine, and iodine, to remove water impurity therefrom, comprising: contacting the water impurity-containing gaseous hydrogen halide with a scavenger including a support having associated therewith one or more members of the group consisting of: (a) an active scavenging moiety selected from one or more members of the group consisting of: (i) metal halide compounds dispersed in the support, of the formula MX.sub.y ; and (ii) metal halide pendant functional groups of the formula -MX.sub.y-1 covalently bonded to the support, wherein M is a y-valent metal, and y is an integer whose value is from 1 to 3; (b) corresponding partially or fully alkylated compounds and/or pendant functional groups, of the metal halide compounds and/or pendant functional groups of (a); wherein the alkylated compounds and/or pendant functional groups, when present, are reactive with the gaseous hydrogen halide to form the corresponding halide compounds and/or pendant functional groups of (a); and M being selected such that the heat of formation, .DELTA.H.sub.f of its hydrated halide, MX.sub.y.(H.sub.2 O).sub.n, is governed by the relationship: .DELTA.H.sub.f .gtoreq.n.times.10.1 kilocalories/mole of such hydrated halide compound wherein n is the number of water molecules bound to the metal halide in the metal halide hydrate. Also disclosed is an appertaining scavenger composition and a contacting apparatus wherein the scavenger is deployed in a bed for contacting with the water impurity-containing gaseous hydrogen halide.

  15. Alkali-aggregate reactivity (AAR) facts book.

    Science.gov (United States)

    2013-03-01

    This document provides detailed information on alkali-aggregate reactivity (AAR). It primarily discusses alkali-silica reaction (ASR), covering the chemistry, symptoms, test methods, prevention, specifications, diagnosis and prognosis, and mitigation...

  16. Method of making alkali metal hydrides

    Science.gov (United States)

    Pecharsky, Vitalij K.; Gupta, Shalabh; Pruski, Marek; Hlova, Ihor; Castle, Andra

    2017-05-30

    A method is provided for making alkali metal hydrides by mechanochemically reacting alkali metal and hydrogen gas under mild temperature (e.g room temperature) and hydrogen pressure conditions without the need for catalyst, solvent, and intentional heating or cooling.

  17. Mechanical filter for alkali atoms

    CERN Document Server

    Toporkov, D K

    2000-01-01

    A device for separating gases of different mass is discussed. Such a device could be used in a laser-driven spin exchange source of polarized hydrogen atoms to reduce the contamination of alkali atoms. A Monte Carlo simulation has shown that the suggested apparatus based on a commercial turbo pump could reduce by a factor of 10-15 the concentration of the alkali-metal atoms in the hydrogen flow from a laser driven polarized source. This would greatly enhance the effective polarization in hydrogen targets.

  18. 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.

  19. 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.

  20. Thermodynamics of Crystals

    Science.gov (United States)

    Navrotsky, Alexandra

    Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.

  1. White-Light Emission from Layered Halide Perovskites.

    Science.gov (United States)

    Smith, Matthew D; Karunadasa, Hemamala I

    2018-03-20

    exciton couples strongly to the lattice, creating transient elastic lattice distortions that can be viewed as "excited-state defects". These deformations stabilize the exciton affording a broad emission with a large Stokes shift. Although material defects very likely contribute to the emission width, our mechanistic studies suggest that the emission mostly arises from the bulk material. Ultrafast spectroscopic measurements support self-trapping, with new, transient, electronic states appearing upon photoexcitation. Importantly, the broad emission appears common to layered Pb-Br and Pb-Cl perovskites, albeit with a strong temperature dependence. Although the emission is attributed to light-induced defects, it still reflects changes in the crystal structure. We find that greater out-of-plane octahedral tilting increases the propensity for the broad emission, enabling synthetic control over the broad emission. Many of these perovskites have color rendering abilities that exceed commercial requirements and mixing halides affords both "warm" and "cold" white light. The most efficient white-light-emitting perovskite has a quantum efficiency of 9%. Improving this value will make these phosphors attractive for solid-state lighting, particularly as large-area coatings that can be deposited inexpensively. The emission mechanism can also be extended to other low-dimensional systems. We hope this Account aids in expanding the phase space of white-light emitters and controlling their exciton dynamics by the synthetic, spectroscopic, theoretical, and engineering communities.

  2. Electric transport properties of alkali polymethacrylates in alkali bromide solutions

    NARCIS (Netherlands)

    Drift, W.P.J.T. van der; Overbeek, J.Th.G.

    Electric mobilities of polyions, bromide ions, and alkali ions have been determined in solutions of Li, Na, and K salts of polymethacrylic acid (PMA) in aqueous solutions of the corresponding bromide of concentrations varying from 0.001 to 0.1 M. The Hittorf method was used for the determination of

  3. ACCUMULATION OF ALKALIS IN THE RECYCLING FILTRATE OF THE PHOSPHOGYPSUM PULPS

    Directory of Open Access Journals (Sweden)

    ANTANAS KAZILIUNAS

    2011-12-01

    Full Text Available Sodium and potassium combinations existing in phosphogypsum are highly soluble and remain in the filtrate, their amount increasing with each recycle. It has been determined that the amount of alkalis in the recycling filtrate depends on an amount of alkalis in uncleaned phosphogypsum, a number of recycles in the filtrate, the technology of the phosphogypsum pulp preparation and an amount of soluble phosphates. New phosphate formations composed in an acid medium (pH = 4.5-5 are well crystalized crystals. They do not alter the filtrability of the phosphogypsum pulp. The new combinations formed in an alkaline medium (pH = 7-11 are colloidal. They settle down on the surface of the hard particles and make the filtration of the phosphogypsum pulp complicated. The filtrated phosphogypsum is more humid which causes the growth of the amount of alkalis carried out together with moisture and thus the lower alkali concentration is observed in the recycling filtrate. In the discussed case, the larger amount of soluble phosphates of uncleaned phosphogypsum is formed the larger amount of the colloidal particles in the neutralized phosphogypsum pulp which results in complicated filtration. In all the cases, the alkali concentration in the recycling filtrate approaches the maximum degree which would take place if alkalis existing in uncleaned phosphogypsum were thawed in humidity of cleaned phosphogypsum.

  4. Double-Diffusive Convection During Growth of Halides and Selenides

    Science.gov (United States)

    Singh, N. B.; Su, Ching-Hua; Duval, Walter M. B.

    2015-01-01

    Heavy metal halides and selenides have unique properties which make them excellent materials for chemical, biological and radiological sensors. Recently it has been shown that selenohalides are even better materials than halides or selenides for gamma-ray detection. These materials also meet the strong needs of a wide band imaging technology to cover ultra-violet (UV), midwave infrared wavelength (MWIR) to very long wavelength infrared (VLWIR) region for hyperspectral imager components such as etalon filters and acousto-optic tunable filters (AO). In fact AOTF based imagers based on these materials have some superiority than imagers based on liquid crystals, FTIR, Fabry-Perot, grating, etalon, electro-optic modulation, piezoelectric and several other concepts. For example, broadband spectral and imagers have problems of processing large amount of information during real-time observation. Acousto-Optic Tunable Filter (AOTF) imagers are being developed to fill the need of reducing processing time of data, low cost operation and key to achieving the goal of covering long-wave infrared (LWIR). At the present time spectral imaging systems are based on the use of diffraction gratings are typically used in a pushbroom or whiskbroom mode. They are mostly used in systems and acquire large amounts of hyperspectral data that is processed off-line later. In contrast, acousto-optic tunable filter spectral imagers require very little image processing, providing new strategies for object recognition and tracking. They are ideally suited for tactical situations requiring immediate real-time image processing. But the performance of these imagers depends on the quality and homogeneity of acousto-optic materials. In addition for many systems requirements are so demanding that crystals up to sizes of 10 cm length are desired. We have studied several selenides and halide crystals for laser and AO imagers for MWIR and LWIR wavelength regions. We have grown and fabricated crystals of

  5. Electrolytic method to make alkali alcoholates using ion conducting alkali electrolyte/separator

    Science.gov (United States)

    Joshi, Ashok V [Salt Lake City, UT; Balagopal, Shekar [Sandy, UT; Pendelton, Justin [Salt Lake City, UT

    2011-12-13

    Alkali alcoholates, also called alkali alkoxides, are produced from alkali metal salt solutions and alcohol using a three-compartment electrolytic cell. The electrolytic cell includes an anolyte compartment configured with an anode, a buffer compartment, and a catholyte compartment configured with a cathode. An alkali ion conducting solid electrolyte configured to selectively transport alkali ions is positioned between the anolyte compartment and the buffer compartment. An alkali ion permeable separator is positioned between the buffer compartment and the catholyte compartment. The catholyte solution may include an alkali alcoholate and alcohol. The anolyte solution may include at least one alkali salt. The buffer compartment solution may include a soluble alkali salt and an alkali alcoholate in alcohol.

  6. Construction of thermionic alkali-ion sources

    International Nuclear Information System (INIS)

    Ul Haq, F.

    1986-01-01

    A simple technique is described by which singly charged alkali ions of K, Na, Li, Rb and Cs are produced by heating ultra-pure chemical salts of different alkali metals on tungsten filaments without employing a temperature measuring device. The character of alkali-ion currents at different heating powers and the remarkably constant ion emission current for prolonged periods are discussed. (author)

  7. Alkali binding in hydrated Portland cement paste

    NARCIS (Netherlands)

    Chen, Wei; Brouwers, Jos

    2010-01-01

    The alkali-binding capacity of C–S–H in hydrated Portland cement pastes is addressed in this study. The amount of bound alkalis in C–S–H is computed based on the alkali partition theories firstly proposed by Taylor (1987) and later further developed by Brouwers and Van Eijk (2003). Experimental data

  8. Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance

    Science.gov (United States)

    2017-01-01

    This Perspective outlines basic structural and optical properties of lead halide perovskite colloidal nanocrystals, highlighting differences and similarities between them and conventional II–VI and III–V semiconductor quantum dots. A detailed insight into two important issues inherent to lead halide perovskite nanocrystals then follows, namely, the advantages of defect tolerance and the necessity to improve their stability in environmental conditions. The defect tolerance of lead halide perovskites offers an impetus to search for similar attributes in other related heavy metal-free compounds. We discuss the origins of the significantly blue-shifted emission from CsPbBr3 nanocrystals and the synthetic strategies toward fabrication of stable perovskite nanocrystal materials with emission in the red and infrared parts of the optical spectrum, which are related to fabrication of mixed cation compounds guided by Goldschmidt tolerance factor considerations. We conclude with the view on perspectives of use of the colloidal perovskite nanocrystals for applications in backlighting of liquid-crystal TV displays. PMID:28920080

  9. New alkali metal diphosphates how materials to preserve the security of the environment: CsNaCu(P2O7), Rb2Cu(P2O7) and CsNaCo(P2O7) synthesis and crystal structure determination

    Science.gov (United States)

    Chernyatieva, Anastasiya; Filatova, Alyona; Spiridonova, Dariya; Krivovichev, Sergey

    2013-04-01

    In this work we describe preliminary results of the synthesis and of a crystal-chemical study of synthetic phosphates with transition metals. Due to the increasing requirements for environmental safety specialists from various industries, we are searching for sustainable forms of immobilization of hazardous waste during storage. We are also developing a component-based waste for new materials. In our continued exploratory synthesis of compounds containing transition-metals, we were able to produce the new diphosphate phases CsNaCu(P2O7), Rb2Cu(P2O7) and CsNaCo(P2O7). A crystal chemical study has allowed us to identify new phosphates. Crystals of CsNaCu(P2O7) (Phase 1) is orthorhombic, crystallizes in space group Pmn21, with a = 5.147(8), b = 15.126(2), c = 9.717(2) Å, V = 756.20 Å3, R1 = 0.066 and Rb2Cu(P2O7) (Phase 2) is orthorhombic as well, crystallizes in space group Pmcn, with a = 5.183(8), b = 10.096(1), c = 15.146(3) Å, V = 793.55 Å3, R1 = 0.063, they have been obtained by high-temperature reaction of RbNO3, CsNO3, Cu(NO3)2, NaOH and (NH4)4P2O7. Synthetic crystals of the phosphate of copper and rubidium were studied in detail by us on the structures of Rb2Cu(P2O7) and Rb2Cu3(P2O7)2 - new alkali metal copper diphosphates (CHERNYATIEVA et al., 2008). Here we report the synthesis, the structure and the properties of the title compounds and we compare these phases with the previously discovered K2CuP2O7 (ELMAADI et al., 1995) and CsNaMnP2O7 (HUANG et al., 1998). These structures crystallize in other space groups, although their structures are also based on 2-D layers, formed by P2O7 groups combined with polyhedra of the transition metals (CHERNYATIEVA et al., 2012). A crystal chemical study has allowed us to identify even new diphosphates CsNaCu(P2O7) (Phase 3). Crystals of CsNaCoP2O7 is monoclinic, space group P 21/n, with a = 7,424(2), b = 7,648(1), c = 12,931(3)Å, β = 90,71(2)° , V = 734.2(3) Å3 and R1 = 0.060. The structure is based framework of Co

  10. Exciton emissions in alkali cyanides

    International Nuclear Information System (INIS)

    Weid, J.P. von der.

    1979-10-01

    The emissions of Alkali Cyanides X irradiated at low temperature were measured. In addition to the molecular (Frenkel Type) exciton emissions, another emitting centre was found and tentatively assigned to a charge transfer self trapped exciton. The nature of the molecular exciton emitting state is discussed. (Author) [pt

  11. Water Content of Lunar Alkali Fedlspar

    Science.gov (United States)

    Mills, R. D.; Simon, J. I.; Wang, J.; Alexander, C. M. O'D.; Hauri, E. H.

    2016-01-01

    Detection of indigenous hydrogen in a diversity of lunar materials, including volcanic glass, melt inclusions, apatite, and plagioclase suggests water may have played a role in the chemical differentiation of the Moon. Spectroscopic data from the Moon indicate a positive correlation between water and Th. Modeling of lunar magma ocean crystallization predicts a similar chemical differentiation with the highest levels of water in the K- and Th-rich melt residuum of the magma ocean (i.e. urKREEP). Until now, the only sample-based estimates of water content of KREEP-rich magmas come from measurements of OH, F, and Cl in lunar apatites, which suggest a water concentration of alkali feldspar, a common mineral in K-enriched rocks, can have approx. 20 ppm of water, which implies magmatic water contents of approx. 1 wt % in the high-silica magmas. This estimate is 2 to 3 orders of magnitude higher than that estimated from apatite in similar rocks. However, the Cl and F contents of apatite in chemically similar rocks suggest that these melts also had high Cl/F ratios, which leads to spuriously low water estimates from the apatite. We can only estimate the minimum water content of urKREEP (+ bulk Moon) from our alkali feldspar data because of the unknown amount of degassing that led to the formation of the granites. Assuming a reasonable 10 to 100 times enrichment of water from urKREEP into the granites produces an estimate of 100-1000 ppm of water for the urKREEP reservoir. Using the modeling of and the 100-1000 ppm of water in urKREEP suggests a minimum bulk silicate Moon water content between 2 and 20 ppm. However, hydrogen loss was likely very significant in the evolution of the lunar mantle. Conclusions: Lunar granites crystallized between 4.3-3.8 Ga from relatively wet melts that degassed upon crystallization. The formation of these granites likely removed significant amounts of water from some mantle source regions, e.g. later mare basalts predicting derivation from a

  12. Nanowire Lasers of Formamidinium Lead Halide Perovskites and Their Stabilized Alloys with Improved Stability.

    Science.gov (United States)

    Fu, Yongping; Zhu, Haiming; Schrader, Alex W; Liang, Dong; Ding, Qi; Joshi, Prakriti; Hwang, Leekyoung; Zhu, X-Y; Jin, Song

    2016-02-10

    The excellent intrinsic optoelectronic properties of methylammonium lead halide perovskites (MAPbX3, X = Br, I), such as high photoluminescence quantum efficiency, long carrier lifetime, and high gain coupled with the facile solution growth of nanowires make them promising new materials for ultralow-threshold nanowire lasers. However, their photo and thermal stabilities need to be improved for practical applications. Herein, we report a low-temperature solution growth of single crystal nanowires of formamidinium lead halide perovskites (FAPbX3) that feature red-shifted emission and better thermal stability compared to MAPbX3. We demonstrate optically pumped room-temperature near-infrared (∼820 nm) and green lasing (∼560 nm) from FAPbI3 (and MABr-stabilized FAPbI3) and FAPbBr3 nanowires with low lasing thresholds of several microjoules per square centimeter and high quality factors of about 1500-2300. More remarkably, the FAPbI3 and MABr-stabilized FAPbI3 nanowires display durable room-temperature lasing under ∼10(8) shots of sustained illumination of 402 nm pulsed laser excitation (150 fs, 250 kHz), substantially exceeding the stability of MAPbI3 (∼10(7) laser shots). We further demonstrate tunable nanowire lasers in wider wavelength region from FA-based lead halide perovskite alloys (FA,MA)PbI3 and (FA,MA)Pb(I,Br)3 through cation and anion substitutions. The results suggest that formamidinium lead halide perovskite nanostructures could be more promising and stable materials for the development of light-emitting diodes and continuous-wave lasers.

  13. Synthesis and structural characterization of alkali metal arsinoamides.

    Science.gov (United States)

    Chen, Xiao; Gamer, Michael T; Roesky, Peter W

    2017-12-20

    The aminoarsane Mes 2 AsN(H)Ph was prepared from Mes 2 AsCl and aniline in good yields. Deprotonation of Mes 2 AsN(H)Ph with suitable alkali metal bases resulted in the corresponding alkali metal derivatives. Thus, reaction of Mes 2 AsN(H)Ph with nBuLi, NaN(SiMe 3 ) 2 , or KH gave the metal complexes [(Mes 2 AsNPh){Li(OEt 2 ) 2 }], [(Mes 2 AsNPh){Na(OEt 2 )}] 2 , and [(Mes 2 AsNPh){K(THF)}] 2 . These are the first metal complexes ligated by an arsinoamide. All solid-state structures were established by single crystal X-ray diffraction. The lithium compounds form a monomer in the solid-state, whereas the sodium and the potassium derivatives are dimers. In the dimeric compounds intra- and intermolecular π-interaction of the aromatic rings with the metal atoms is observed.

  14. Structure peculiarities of mixed alkali silicate glasses

    International Nuclear Information System (INIS)

    Bershtein, V.A.; Gorbachev, V.V.; Egorov, V.

    1980-01-01

    The thermal porperties and structure of alkali and mixed alkali (Li, Na, K) silicate glasses by means of differential scanning calorimetry (DSC), the positron annihilation method, X-ray fluorescence and infrared (300-30 cm -1 ) spectroscopy were studied. Introduction of different alkali cations in glass results in nonadditive change in their electron structure (bond covalence degree growth) and the thermal behaviour. The different manifestations of mixed alkali effect can be explained by the lessening of long distance Coulomb interactions and strengthening the short-range forces in the mixed alkali glasses. (orig.)

  15. Effect of alkali and heat treatments for bioactivity of TiO{sub 2} nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seo young, E-mail: mast6269@nate.com [Dept. of Dental Biomaterials and Institute of Bio degradable material, Institute of Oral Bioscience and BK21 plus project, School of Dentistry, Chonbuk National University, Jeonju, 561-756 (Korea, Republic of); Kim, Yu kyoung, E-mail: yk0830@naver.com [Dept. of Dental Biomaterials and Institute of Bio degradable material, Institute of Oral Bioscience and BK21 plus project, School of Dentistry, Chonbuk National University, Jeonju, 561-756 (Korea, Republic of); Park, Il song, E-mail: ilsong@jbnu.ac.kr [Division of Advanced Materials Engineering, Research Center for Advanced Materials Development and Institute of Biodegradable Materials, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Jin, Guang chun, E-mail: jingc88@126.com [Oral Medical College, Beihua University, Jilin City 132013 (China); Bae, Tae sung, E-mail: bts@jbnu.ac.kr [Dept. of Dental Biomaterials and Institute of Bio degradable material, Institute of Oral Bioscience and BK21 plus project, School of Dentistry, Chonbuk National University, Jeonju, 561-756 (Korea, Republic of); Lee, Min ho, E-mail: mh@jbnu.ac.kr [Dept. of Dental Biomaterials and Institute of Bio degradable material, Institute of Oral Bioscience and BK21 plus project, School of Dentistry, Chonbuk National University, Jeonju, 561-756 (Korea, Republic of)

    2014-12-01

    Highlights: • TiO{sub 2} nanotubes formed via anodization were treated by alkali and heat. • The surface roughness was increased after alkali treatment (p < 0.05). • After alkali and heat treatment, the wettability was better than before treatment. • Alkali treated TiO{sub 2} nanotubes were shown higher HAp formation in SBF. • Heat treatment affected on the attachment of cells for alkali treated nanotubes. - Abstract: In this study, for improving the bioactivity of titanium used as an implant material, alkali and heat treatments were carried out after formation of the nanotubes via anodization. Nanotubes with uniform length, diameter, and thickness were formed by anodization. The alkali and heat-treated TiO{sub 2} nanotubes were covered with the complex network structure, and the Na compound was generated on the surface of the specimens. In addition, after 5 and 10 days of immersion in the SBF, the crystallized OCP and HAp phase was significantly increased on the surface of the alkali-treated TiO{sub 2} nanotubes (PNA) and alkali and heat-treated TiO{sub 2} nanotubes (PNAH) groups. Cell proliferation was decreased due to the formation of amorphous sodium titanate (Na{sub 2}TiO{sub 3}) layer on the surface of the PNA group. However, anatase and crystalline sodium titanate were formed on the surface of the PNAH group after heat treatment at 550 °C, and cell proliferation was improved. Thus, PNA group had higher HAp forming ability in the simulated body fluid. Additional heat treatment affected on enhancement of the bioactivity and the attachment of osteoblasts for PNA group.

  16. Halide ordering in reduced mixed halides, chlorides/iodides, of zirconium: syntheses and structures of Cs2[(Zr6B)(Cl,I)15] cluster compounds.

    Science.gov (United States)

    Pigorsch, Arne; Köckerling, Martin

    2012-10-15

    A series of high-temperature solid state chemical reactions was carried out in the quasi-quarternary mixed-halide Cs-Zr-B-(Cl,I) system with stoichiometries aiming for zirconium cluster phases of the Cs(2)[(Zr(6)B)X(15)] type (X = mixture of Cl + I). In the phase range from ~ Cs(2)[(Zr(6)B)Cl(13)I(2)] to Cs(2)[(Zr(6)B)Cl(3)I(12)] the structures of the obtained cluster phases are derived from the orthorhombic CsK[(Zr(6)B)Cl(15)]. At a composition of Cs(2)[(Zr(6)B)Cl(~10) I(~4)] a lower symmetry, monoclinic derivative has been found. X-ray diffraction data of single crystals of three compounds of this phase system were collected, orthorhombic Cs(2)[(Zr(6)B)Cl(12.99(3))I(2.01)] (1), (Pmma, Z = 4, a = 19.304(4), b = 14.617(3), c = 9.921(2) Å, R1/wR2 = 0.0444/0.0886), monoclinic Cs(2)[(Zr(6)B)Cl(10.63(3))I(4.37)] (2), (P2/c, Z = 4, a = 14.9502(3), b = 10.0098(2), c = 19.8798(4) Å, β = 90.977(1) R1/wR2 = 0.0460/0.1182), and orthorhombic Cs(2)[(Zr(6)B)Cl(8.79(4))I(6.21)] (3) (Pmma, Z = 4, a = 20.0534(4), b = 15.1488(3), c = 10.1739(2) Å, R1/wR2 = 0.0494/0.1123). These compounds are obtained as single phase products. As in other known mixed-halide systems halide ordering is observed, such that the different halide sites have different amounts of Cl and I. With increasing amount of iodide, relative to Cl, the cluster-interconnecting halide sites are more and more occupied by I. For the first time it is observed for 3 that a halide site, which forms a linear bridge between two neighboring Zr(6)B cluster units (so far known examples are solely occupied by Cl), is statistically mixed occupied by Cl and I. Nevertheless, both halide types achieve acceptable bonding situations (bond lengths) because the I atoms are moved out of the linearly bridging position, thereby achieving longer Zr-X distances than the Cl atom, which remains linearly bridging. The generally interesting aspect of this paper is that in the very complex systems the atoms of the mixed occupied sites as well

  17. 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.

  18. Research Update: Luminescence in lead halide perovskites

    Science.gov (United States)

    Srimath Kandada, Ajay Ram; Petrozza, Annamaria

    2016-09-01

    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.

  19. Feature issue introduction: halide perovskites for optoelectronics.

    Science.gov (United States)

    White, Thomas P; Deleporte, Emmanuelle; Sum, Tze-Chien

    2018-01-22

    This joint Optics Express and Optical Materials Express feature issue presents a collection of nine papers on the topic of halide perovskites for optoelectronics. Perovskite materials have attracted significant attention over the past four years, initially for their outstanding performance in thin film solar cells, but more recently for applications in light-emitting devices (LEDs and lasers), photodetectors and nonlinear optics. At the same time, there is still much more to learn about the fundamental properties of these materials, and how these depend on composition, processing, and exposure to the environment. This feature issue provides a snapshot of some of the latest research in this rapidly-evolving multidisciplinary field.

  20. Two dimensional condensation of argon adsorbed on lamellar halides

    International Nuclear Information System (INIS)

    Millot, Francis.

    1976-03-01

    Lamellar halides such as NiCl 2 , FeCl 2 , NiBr 2 , MnBr 2 , MgBr 2 , CdBr 2 , CoI 2 , FeI 2 , MnI 2 , CaI 2 and PbI 2 were sublimed in a rapid stream of dry nitrogen. The adsorption of argon on such materials shows stepped isotherms which reveal two dimensional condensations. From sets of isotherms the Helmholtz free energy, the internal energy and the entropy of the successive layers are determined. From the entropy of the first layer the role of the potential relief of the adsorbent surface on the structure of the adsorbed layer may be determined while the Helmholtz free energy reveals how the ionic character of the adsorbent governs the attractive force of adsorption. The study of the second third and fourth layers shows that their growth follows quite a different behaviour depending on whether the Van der Waals diameter of argon is greater or smaller than the distance between adjacent anions on the crystal surface. A proposition is made to account for the difference in the critical temperatures of the first and second dense layers in terms of the vibrationnal state of their respective substrate. The occurence for the maximum critical temperature observed of corresponding to a triangular layer 3% more expanded than the (111) plane of solid argon is discussed [fr

  1. 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...

  2. 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

  3. Intrinsic Halide Segregation at Nanometer Scale Determines the High Efficiency of Mixed Cation/Mixed Halide Perovskite Solar Cells.

    Science.gov (United States)

    Gratia, Paul; Grancini, Giulia; Audinot, Jean-Nicolas; Jeanbourquin, Xavier; Mosconi, Edoardo; Zimmermann, Iwan; Dowsett, David; Lee, Yonghui; Grätzel, Michael; De Angelis, Filippo; Sivula, Kevin; Wirtz, Tom; Nazeeruddin, Mohammad Khaja

    2016-12-14

    Compositional engineering of a mixed cation/mixed halide perovskite in the form of (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 is one of the most effective strategies to obtain record-efficiency perovskite solar cells. However, the perovskite self-organization upon crystallization and the final elemental distribution, which are paramount for device optimization, are still poorly understood. Here we map the nanoscale charge carrier and elemental distribution of mixed perovskite films yielding 20% efficient devices. Combining a novel in-house-developed high-resolution helium ion microscope coupled with a secondary ion mass spectrometer (HIM-SIMS) with Kelvin probe force microscopy (KPFM), we demonstrate that part of the mixed perovskite film intrinsically segregates into iodide-rich perovskite nanodomains on a length scale of up to a few hundred nanometers. Thus, the homogeneity of the film is disrupted, leading to a variation in the optical properties at the micrometer scale. Our results provide unprecedented understanding of the nanoscale perovskite composition.

  4. 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.

  5. Conformer of the peroxynitrite ion formed under photolysis of crystalline alkali nitrates - cis or trans?

    Science.gov (United States)

    Pak, V. Kh; Anan'ev, V. A.; Dyagileva, E. P.; Lyrshchikov, S. Yu; Miklin, M. B.; Rezvova, M. A.

    2017-01-01

    The optical and infrared reflectance spectra of the crystalline powders prepared by co-crystallization of caesium nitrate, nitrite, and peroxynitrite from alkali solution have been studied. We find that the trans conformer forms under photolysis of crystalline pure caesium nitrate. Under its dissolution the trans conformer transforms to the cis conformer.

  6. Barium halide nanocrystals in fluorozirconate based glass ceramics for scintillation application

    Energy Technology Data Exchange (ETDEWEB)

    Selling, J.

    2007-07-01

    Europium (Eu)-activated barium halide nanocrystals in fluorozirconate based glass ceramics represent a promising class of Xray scintillators. The scintillation in these glass ceramics is mainly caused by the emission of divalent Eu incorporated in hexagonal BaCl{sub 2} nanocrystals which are formed in the glass matrix upon appropriate annealing. Experiments with cerium (Ce)-activated fluorozironate glass ceramics showed that Ce is an interesting alternative. In order to get a better understanding of the scintillation mechanism in Eu- or Ce-activated barium halide nanocrystals, an investigation of the processes in the corresponding bulk material is essential. The objective of this thesis is the investigation of undoped, Eu-, and Ce-doped barium halides by X-ray excited luminescence (XL), pulse height, and scintillation decay spectra. That will help to figure out which of these crystals has the most promising scintillation properties and would be the best nanoparticles for the glass ceramics. Furthermore, alternative dopants like samarium (Sm) and manganese (Mn) were also investigated. Besides the above-mentioned optical investigation electron paramagnetic resonance (EPR) and Moessbauer measurements were carried out in order to complete the picture of Eu-doped barium halides. The EPR data of Eu-doped BaI{sub 2} is anticipated to yield more information about the crystal field and crystal structure that will help to understand the charge carrier process during the scintillation process. The main focus of the Moessbauer investigations was set on the Eu-doped fluorochlorozirconate glass ceramics. The results of this investigation should help to improve the glass ceramics. The Eu{sup 2+}/Eu{sup 3+} ratio in the glass ceramics should be determined and optimize favor of the Eu{sup 2+}. We also want to distinguish between Eu{sup 2+} in the glass matrix and Eu{sup 2+} in the nanocrystals. For a better understanding of Moessbauer spectroscopy on Eu also measurements on Eu in a

  7. Isothermal equation of state of a lithium fluoride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.Y.

    1975-01-01

    An isothermal equation of state of a LiF single crystal was determined from length change measurements of the specimen as a function of hydrostatic pressure up to approximately 7 kbars at 28 to 41/sup 0/C. The length change was measured with an accuracy of approximately 500 A by using a Fabry Perot type He--Ne laser interferometer for a 1-m long specimen at temperatures constant to less than 0.002/sup 0/C. Several two- and three-parameter equations of state were used in analyzing the measured pressure-volume data. The computer fit for each equation of state determines not only the value of its parameters but also the standard deviations associated with them and one dependent variable, either pressure or volume. With the parameters determined, the equations of state are extrapolated to approximately 5 megabars in order to see discrepancies. Using the Born model of ionic solids, two equations of state were derived both from a power law potential and from an exponential form for the repulsive energy of alkali metal halides and used to fit the pressure-volume data of a LiF single crystal. They are also extrapolated to approximately 5 megabars. The Birch's two-parameter equation and the Grover, Getting, and Kennedy equation are indistinguishable from the two equations of state derived from the Born model for pressures approximately equal to or less than 800 kbars within +-20 kbars. The above four equations of state also fit closely the Pagannone and Drickamer static compression data, the Christian shock wave data, and the Kormer et al. shock wave data. The isothermal bulk modulus and its first pressure derivative at atmospheric pressure and 28.83/sup 0/C are 664.5 +- 0.5 kbars and 5.40 +- 0.18, respectively, in close agreement with those values ultrasonically measured by R. A. Miller and C. S. Smith. (auth)

  8. INTERRELATION OF ACIDITY-BASICITY, SOLUBILITY AND ABILITY TO INTERACTION OF HALIDES OF MX AND M'X2 (M - Li ÷ Cs, M' - Be ÷ Ba, X - Cl ÷ I TYPES

    Directory of Open Access Journals (Sweden)

    V. F. Zinchenko

    2015-11-01

    Full Text Available The size-charge factor of basicity for definition of the acid-base properties of alkaline both alkaline-earth metals and Be halides is offered. The certain interrelation of the specified factor, and also the magnitudes connected with energy of a crystal lattice (temperature of boiling and enthalpy of evaporation of salt with its solubility in water, and also with enthalpy of hydration is established. It is shown that the minimum solubility possess alkaline metals halides (KCl for chlorides, RbBr for Rubidium halides and CsI for alkaline metals halides as a whole at which value of the factor of basicity is equal to 0.83, i.e. it is slightly less than 1. Among alkaline-earth metals halides the lowest solubility has BaCl2 with the highest value of the factor of basicity (0.4. An absolute value of enthalpy of hydration for salts crystal-hydrates possesses tens kJ/mol H2O and increases with reduction of the factor of basicity at transition from metals chlorides to iodides, and also at cationic substitution by easier analogue. Qualitative correlation between a difference of basicity of binary halides and their ability to interaction with formation of complex compounds of various degree of durability is established. At an average difference of basicities 0.4 in halide systems are formed incongruently melting, and at 0.6-0.8 and more – congruently melting compounds. Forecasting of solubility of complex halide of CsSrCl3 composition on the basis of its value of equalized basicity is carried out.

  9. Selective release of phosphorus and nitrogen from waste activated sludge with combined thermal and alkali treatment.

    Science.gov (United States)

    Kim, Minwook; Han, Dong-Woo; Kim, Dong-Jin

    2015-08-01

    Selective release characteristics of phosphorus and nitrogen from waste activated sludge (WAS) were investigated during combined thermal and alkali treatment. Alkali (0.001-1.0N NaOH) treatment and combined thermal-alkali treatment were applied to WAS for releasing total P(T-P) and total nitrogen(T-N). Combined thermal-alkali treatment released 94%, 76%, and 49% of T-P, T-N, and COD, respectively. Release rate was positively associated with NaOH concentration, while temperature gave insignificant effect. The ratio of T-N and COD to T-P that released with alkali treatment ranged 0.74-0.80 and 0.39-0.50, respectively, while combined thermal-alkali treatment gave 0.60-0.90 and 0.20-0.60, respectively. Selective release of T-P and T-N was negatively associated with NaOH. High NaOH concentration created cavities on the surface of WAS, and these cavities accelerated the release rate, but reduced selectivity. Selective release of P and N from sludge has a beneficial effect on nutrient recovery with crystallization processes and it can also enhance methane production. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Extended Photo-Conversion Spectrum in Low-Toxic Bismuth Halide Perovskite Solar Cells.

    Science.gov (United States)

    Johansson, Malin B; Zhu, Huimin; Johansson, Erik M J

    2016-09-01

    Lead-based perovskites show very promising properties for use in solar cells; however, the toxicity of lead is a potential inhibitor for large-scale application of these solar cells. Here, a low-toxic bismuth halide, CsBi3I10, is synthesized from solution and the optical properties and crystal structure are compared with previously reported Cs3Bi2I9 perovskite, and the photovoltaic properties are also investigated. The XRD pattern suggests that the CsBi3I10 film has a layered structure with a different dominating crystal growth direction than the Cs3Bi2I9 perovskite. A band gap of 1.77 eV is obtained for the CsBi3I10 film, which is smaller than the band gap of Cs3Bi2I9 at 2.03 eV, and an extended visible light absorption spectrum is therefore obtained. The solar cell device with CsBi3I10 shows a photocurrent up to 700 nm, and this work shows therefore the possibility for increased light absorption and higher photocurrents in solar cells based on bismuth halide perovskites.

  11. Metal halide-group III halide gas complexes with emphasis on aluminum chloride

    International Nuclear Information System (INIS)

    Oeye, H.A.; Gruen, D.M.

    1978-01-01

    The thermodynamics of the presently known gas complexation reactions between metal halides and group III halides are treated in a self-consistent manner. By focusing on aluminum chloride as a complexing agent, certain systematic trends are revealed. The partial pressures of the gaseous complexes display shallow minima near 800 0 K whenever the complex molecules involve more than one molecule of AlCl 3 . Increasing the aluminum chloride pressure from 1 atm. to 10 3 atm. decreases somewhat the differences in the partial pressures among the various gaseous complexes which span two to three orders of magnitude. The methods developed for characterizing the complexes, and their structures as well as some applications of gas complexation are discussed

  12. Stabilization of aqueous alkali metal aluminate solutions

    Energy Technology Data Exchange (ETDEWEB)

    Allenson, S.J.

    1988-03-29

    A method of stabilizing an aqueous solution of alkali metal aluminate is described comprising: admixing an aqueous solution of alkali metal aluminate having a pH of at least 10 with a sufficient amount of vinyl polymer having pendant carboxylate groups to form a solution containing from 0.1 to 2.0 weight percent of an anionic vinyl polymer based on alkali metal aluminate solids. The anionic vinyl polymer has an average molecular weight of at least 500,000.

  13. 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.

  14. Characterization of Waste Poly(Ethylene-Terephthalate after Alkali Treatment

    Directory of Open Access Journals (Sweden)

    Rešček, A.

    2011-07-01

    Full Text Available Poly(ethylene terephthalate, PET, recycling represents one of the most successful and widespread examples of polymer recycling. This material is fully recyclable and may be used for manufacturing new products in many industrial areas. Nevertheless, the excellent properties of PET needed for its many applications are also responsible for the difficult degradation of PET and an accumulation of polymer waste, which in turn creates serious environmental problems connected to littering and illegal landfilling or incineration. The main goal of this study was to examine the effect of alkali pretreatment on the properties of PET flakes. PET flakes were washed at twotemperatures, 70 °C and 75 °C and in various time intervals of 15, 18, 21, 25, and 30 min. All samples were characterized by FTIR spectroscopy, differential scanning calorimetry and by contact angle measurements. The results showed that during the alkali treatment the partial depolymerization of PET was obtained, which resulted in the formation of various types of oligomers with hydroxyl and carboxyl end groups, which were the result of loss of high molecular structure. Decrease of intensity of characteristic vibrational bands (CO at 1717, COO at 1265 and CH2 at 722 cm-1 with extended time was observed (Figs. 1 and 2. Further on, the formation of hydroxyl groups at ṽ = 3428 cm-1 was also observed as a result of PET depolimerization during the alkali treatment, which behaviour was better visible for samples washed at 75 °C and with extended washing time (Fig 2b. During the DSC thermal analysis, multiple melting peaks were observed in some studied samples which could be linked to partial melting and re-crystallization of PET or to the occurrence of new polymer fractions of lower molecular mass (Figs. 3 and 4. It is evident that the contact angle of PET samples (Fig. 5 decreases in comparison to the PET 0, which points to the changes on the PET surface during the alkali treatment. Decrease

  15. Shape-controlled synthesis of organolead halide perovskite nanocrystals and their tunable optical absorption

    International Nuclear Information System (INIS)

    Chen, Zhenhua; Tang, Yongbing; Huang, Xing; Lee, Chun-Sing; Li, Hui; Ho, Derek

    2014-01-01

    Hybrid organolead halide perovskites (CH 3 NH 3 PbI 3 ) with polymorphic structures have been successfully synthesized by controlling their solubility in solvents with different polarities. Crystal formation stages of the perovskites have been demonstrated for the first time. Shape changes of such perovskites are accompanied by transition in their crystal structures and variation of optical properties. Herein, a new trigonal phase for CH 3 NH 3 PbI 3 has been observed with a rod-like morphology. Photoemission study indicates a significant red shift in the perovskite nanoparticles, compared to that of the rod-like nanocrystals. This solvent-controlled formation of polymorphic phases provide an additional approach for controlling the optical properties of CH 3 NH 3 PbI 3 for various optoelectronic applications. (papers)

  16. Novel Silver Cobaltacarborane Complexes with a Linearly Bridging Halide

    Energy Technology Data Exchange (ETDEWEB)

    Park, Hyun Seo; Bae, Hye Jin; Do, Youngkyu [KAIST, Daejeon (Korea, Republic of); Park, Youngwhan [LG Chem/Research Park, Daejeon (Korea, Republic of); Go, Min Jeong; Lee, Junseong [Chonnam National Univ., Gwangju (Korea, Republic of)

    2013-10-15

    The structural versatility of halides mainly originates from their coordinating abilities of adopting a bridging bond between two or more metal atoms, as well as a terminal bond. Moreover, a halide bridging bond angle is so flexible that thermodynamic stability can be endowed with proper geometry, which conceptually varies from acute to right, obtuse, and linear. In spite of innumerable reports on molecular metal halides, examples of the linearly bridging fashion are very scarce. The reason for the rarity of the linear M. X. M arrangement can be easily explained by the VSEPR (Valence Shell Electron Pair Repulsion) concept. The linear M. X. M formation has only been achieved by adopting a macrocyclic chelate ligand, which is structurally demanding, so that the VSEPR repulsions among lone-pair electrons on the halide atom could be overcome.

  17. 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

  18. Genetic control of methyl halide production in Arabidopsis.

    Science.gov (United States)

    Rhew, Robert C; Østergaard, Lars; Saltzman, Eric S; Yanofsky, Martin F

    2003-10-14

    Methyl chloride (CH(3)Cl) and methyl bromide (CH(3)Br) are the primary carriers of natural chlorine and bromine, respectively, to the stratosphere, where they catalyze the destruction of ozone, whereas methyl iodide (CH(3)I) influences aerosol formation and ozone loss in the boundary layer. CH(3)Br is also an agricultural pesticide whose use is regulated by international agreement. Despite the economic and environmental importance of these methyl halides, their natural sources and biological production mechanisms are poorly understood. Besides CH(3)Br fumigation, important sources include oceans, biomass burning, tropical plants, salt marshes, and certain crops and fungi. Here, we demonstrate that the model plant Arabidopsis thaliana produces and emits methyl halides and that the enzyme primarily responsible for the production is encoded by the HARMLESS TO OZONE LAYER (HOL) gene. The encoded protein belongs to a group of methyltransferases capable of catalyzing the S-adenosyl-L-methionine (SAM)-dependent methylation of chloride (Cl(-)), bromide (Br(-)), and iodide (I(-)) to produce methyl halides. In mutant plants with the HOL gene disrupted, methyl halide production is largely eliminated. A phylogenetic analysis with the HOL gene suggests that the ability to produce methyl halides is widespread among vascular plants. This approach provides a genetic basis for understanding and predicting patterns of methyl halide production by plants.

  19. Process for the disposal of alkali metals

    International Nuclear Information System (INIS)

    Lewis, L.C.

    1977-01-01

    Large quantities of alkali metals may be safely reacted for ultimate disposal by contact with a hot concentrated caustic solution. The alkali metals react with water in the caustic solution in a controlled reaction while steam dilutes the hydrogen formed by the reaction to a safe level. 6 claims

  20. The chemistry of the liquid alkali metals

    International Nuclear Information System (INIS)

    Addison, C.C.

    1984-01-01

    A study of liquid alkali metals. It encourages comparison with molecular solvents in chapter covering the nature and reactivity of dissolved species, solvation, solubility and electrical conductivity of solutions. It demonstrates lab techniques unique to liquid alkali metals. It discusses large-scale applications from storage batteries to sodium-cooled reactors and future fusion reactors, and associated technological problems. Contents: Some Basic Physical and Chemical Properties; Manipulation of the Liquids; The Chemistry of Purification Methods; Species Formed by Dissolved Elements; Solubilities and Analytical Methods; Alkali Metal Mixtures; Solvation in Liquid Metal; Reactions Between Liquid Alkali Metals and Water; Reactions of Nitrogen with Lithium and the Group II Metals in Liquid Sodium; The Formation, Dissociation and Stability of Heteronuclear Polyatomic Anions; Reactions of the Liquid Alkali Metals and Their Alloys with Simple Alipatic Hydrocarbons; Reactions of the Liquid Alkali Metals with Some Halogen Compounds; Hydrogen, Oxygen and Carbon Meters; Surface Chemistry and Wetting; Corrosion of Transition Metals by the Liquid Alkali Metals; Modern Applications of the Liquid Alkali Metals

  1. 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

  2. Method of handling radioactive alkali metal waste

    Science.gov (United States)

    Wolson, R.D.; McPheeters, C.C.

    Radioactive alkali metal is mixed with particulate silica in a rotary drum reactor in which the alkali metal is converted to the monoxide during rotation of the reactor to produce particulate silica coated with the alkali metal monoxide suitable as a feed material to make a glass for storing radioactive material. Silica particles, the majority of which pass through a 95 mesh screen or preferably through a 200 mesh screen, are employed in this process, and the preferred weight ratio of silica to alkali metal is 7 to 1 in order to produce a feed material for the final glass product having a silica to alkali metal monoxide ratio of about 5 to 1.

  3. Method of handling radioactive alkali metal waste

    International Nuclear Information System (INIS)

    Mcpheeters, C.C.; Wolson, R.D.

    1980-01-01

    Radioactive alkali metal is mixed with particulate silica in a rotary drum reactor in which the alkali metal is converted to the monoxide during rotation of the reactor to produce particulate silica coated with the alkali metal monoxide suitable as a feed material to make a glass for storing radioactive material. Silica particles, the majority of which pass through a 95 mesh screen or preferably through a 200 mesh screen, are employed in this process, and the preferred weight ratio of silica to alkali metal is 7 to 1 in order to produce a feed material for the final glass product having a silica to alkali metal monoxide ratio of about 5 to 1

  4. Thermoluminescence and F centers of manganese doped NaCl and NaCl-CKl crystals exposed to gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Somera, L.; Cruz Z, E.; Roman L, J. [UNAM, Instituto de Ciencias Nucleares, Circuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico); Hernandez A, J. M.; Murrieta S, H., E-mail: ecruz@nucleares.unam.mx [UNAM, Instituto de Fisica, Circuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico)

    2015-10-15

    Alkali halides crystals doped with rare earths or transition metals have been widely studied due to the luminescence properties. In particular, NaCl and KCl single crystals present thermally stimulated luminescence (Tl) after gamma irradiation. The NaCl and the NaCl KCl mixed crystal doped with manganese (MnCl{sub 2}) impurity were grown by using the Czochralski method. The emission characteristic of Mn{sup 2+} was observed at 543 nm. The crystals were exposed between 0.02 and 10 kGy gamma dose from {sup 60}Co irradiator. Optical absorption at room temperature shows the peaked band at 452 nm corresponding to the manganese impurity. The F bands, was ascribed to the electron trapped in the anion vacancy in the lattice, were obtained at 452 nm and 455 nm belonging to NaCl:Mn and NaCl KCl:Mn, respectively. The F band increases as the doses increase and it was bleaching by the UV light at 470 nm. The glow curves of the samples show the first glow peak between 92-103 degrees C, while the second main peak was observed at 183 degrees C for the undoped NaCl and at 148 and 165 degrees C for the NaCl:Mn and NaCl-KCl:Mn, respectively. The main peak was slowly bleaching when the irradiated sample was illuminated with F (470 nm) light. Optical bleaching confirms that the F center has an important participation in the thermoluminescent response. The glow curves structure from the thermal bleaching suggests the participation of different kind of traps. Also, the kinetics parameters such as activation energy (E), frequency factor (s) and the kinetic order (b) were investigated. (Author)

  5. Thermoluminescence and F centers of manganese doped NaCl and NaCl-CKl crystals exposed to gamma radiation

    International Nuclear Information System (INIS)

    Somera, L.; Cruz Z, E.; Roman L, J.; Hernandez A, J. M.; Murrieta S, H.

    2015-10-01

    Alkali halides crystals doped with rare earths or transition metals have been widely studied due to the luminescence properties. In particular, NaCl and KCl single crystals present thermally stimulated luminescence (Tl) after gamma irradiation. The NaCl and the NaCl KCl mixed crystal doped with manganese (MnCl 2 ) impurity were grown by using the Czochralski method. The emission characteristic of Mn 2+ was observed at 543 nm. The crystals were exposed between 0.02 and 10 kGy gamma dose from 60 Co irradiator. Optical absorption at room temperature shows the peaked band at 452 nm corresponding to the manganese impurity. The F bands, was ascribed to the electron trapped in the anion vacancy in the lattice, were obtained at 452 nm and 455 nm belonging to NaCl:Mn and NaCl KCl:Mn, respectively. The F band increases as the doses increase and it was bleaching by the UV light at 470 nm. The glow curves of the samples show the first glow peak between 92-103 degrees C, while the second main peak was observed at 183 degrees C for the undoped NaCl and at 148 and 165 degrees C for the NaCl:Mn and NaCl-KCl:Mn, respectively. The main peak was slowly bleaching when the irradiated sample was illuminated with F (470 nm) light. Optical bleaching confirms that the F center has an important participation in the thermoluminescent response. The glow curves structure from the thermal bleaching suggests the participation of different kind of traps. Also, the kinetics parameters such as activation energy (E), frequency factor (s) and the kinetic order (b) were investigated. (Author)

  6. Alteration of alkali reactive aggregates autoclaved in different alkali solutions and application to alkali-aggregate reaction in concrete

    International Nuclear Information System (INIS)

    Lu Duyou; Mei Laibao; Xu Zhongzi; Tang Mingshu; Fournier, Benoit

    2006-01-01

    Surface alteration of typical aggregates with alkali-silica reactivity and alkali-carbonate reactivity, i.e. Spratt limestone (SL) and Pittsburg dolomitic limestone (PL), were studied by XRD and SEM/EDS after autoclaving in KOH, NaOH and LiOH solutions at 150 deg. C for 150 h. The results indicate that: (1) NaOH shows the strongest attack on both ASR and ACR aggregates, the weakest attack is with LiOH. For both aggregates autoclaved in different alkali media, the crystalline degree, morphology and distribution of products are quite different. More crystalline products are formed on rock surfaces in KOH than that in NaOH solution, while almost no amorphous product is formed in LiOH solution; (2) in addition to dedolomitization of PL in KOH, NaOH and LiOH solutions, cryptocrystalline quartz in PL involves in reaction with alkaline solution and forms typical alkali-silica product in NaOH and KOH solutions, but forms lithium silicate (Li 2 SiO 3 ) in LiOH solution; (3) in addition to massive alkali-silica product formed in SL autoclaved in different alkaline solutions, a small amount of dolomite existing in SL may simultaneously dedolomitize and possibly contribute to expansion; (4) it is promising to use the duplex effect of LiOH on ASR and ACR to distinguish the alkali-silica reactivity and alkali-carbonate reactivity of aggregate when both ASR and ACR might coexist

  7. Crystal growth and scintillation properties of Lu substituted CeBr.sub.3./sub. single crystals

    Czech Academy of Sciences Publication Activity Database

    Ito, T.; Yokota, Y.; Kurosawa, S.; Král, Robert; Kamada, K.; Pejchal, Jan; Ohashi, Y.; Yoshikawa, A.

    2016-01-01

    Roč. 452, Oct (2016), s. 65-68 ISSN 0022-0248. [American Conference on Crystal Growth and Epitaxy /20./ (ACCGE) / 17th Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) / 2nd 2D Electronic Materials Symposium. Big Sky, MT, 02.08.2015-07.08.2015] Institutional support: RVO:68378271 Keywords : radiation * halides * scintillator materials * crystal growth Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.751, year: 2016

  8. Hydrothermal calcification of alkali treated titanium in CaHPO{sub 4} solution

    Energy Technology Data Exchange (ETDEWEB)

    Fu, T., E-mail: taofu@xjtu.edu.cn [Key Laboratory of Biomedical Information Engineering of Ministry of Education, School of Life Science and Technology, Xi’an Jiaotong University, Shaanxi, 710049 (China); Fan, J.T., E-mail: jitang_fan@hotmail.com [State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081 (China); Shen, Y.G. [Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Sun, J.M. [Key Laboratory of Biomedical Information Engineering of Ministry of Education, School of Life Science and Technology, Xi’an Jiaotong University, Shaanxi, 710049 (China)

    2017-03-01

    The alkali treated titanium was hydrothermally treated in water and 10 mM CaHPO{sub 4} solution (nominal concentration) at 80–180 °C to crystallize the titanate hydrogel layer and calcify the alkali treated titanium. Surface structure and elemental composition of the samples were analyzed by scanning electron microscopy, energy dispersive x-ray analysis, x-ray photoelectron spectroscopy, x-ray diffraction and Raman spectroscopy. Porous titanate hydrogel layer is formed on titanium after the alkali treatment. For the hydrothermal treatment in water, the hydrogel layer is crystallized as anatase TiO{sub 2} with nanoporous or nanofibrous structure at 100 and 120 °C, and the layer is converted to anatase nanoparticles at 150 and 180 °C. For the hydrothermal treatment in the CaHPO{sub 4} solution, hydroxyapatite nanocrystallites are deposited at the samples surface at 80–120 °C, but only anatase nanoparticles are formed at 150 and 180 °C. The growth of hydroxyapatite nanocrystallites is influenced by pH and temperature variations of the solution. The present alkali-hydrothermal treatment can avoid higher temperatures involved in the traditional alkali-heat treatments, which is applicable for bioactive surface modification of the thermally sensitive titanium alloys. The results also show that Raman spectroscopy is a useful technique to analyze the microstructure of TiO{sub 2} and apatite films. - Highlights: • The alkali treated titanium is hydrothermally calcified in a CaHPO{sub 4} solution. • HA nanocrystallites are formed at 80–120 °C, but TiO{sub 2} nanoparticles at 150–180 °C. • The growth mechanism of HA nanocrystallites is discussed. • This low-temperature method is fit for some special titanium alloys.

  9. On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study

    Directory of Open Access Journals (Sweden)

    Antonio Bauzá

    2017-06-01

    Full Text Available In this manuscript, we combined DFT (Density Functional Theory calculations (BP86-D3/def2-TZVP level of theory and a search in the CSD (Cambridge Structural Database to analyze the role of halogen–halogen interactions in the crystal structure of fullerene halides. We have used a theoretical model of a halogenated C60 and evaluated the formation of halogen–halogen complexes between F, Cl, Br and I derivatives. In addition, we also carried out AIM (Atoms in Molecules and NBO (Natural Bonding Orbital analyses to further describe and characterize the interactions described herein. Finally, we have carried out a search in the CSD and found several X-ray structures where these interactions are present and important in governing the crystal packing of the fullerene halides, thus giving reliability to the results derived from the calculations.

  10. Fabrication of ultra-fine-grain silver halide recording material for color holography

    Science.gov (United States)

    Bjelkhagen, H. I.; Crosby, P. G.; Green, D. P. M.; Mirlis, E.; Phillips, N. J.

    2008-02-01

    Color holography is the most accurate imaging technology known to science. It is possible to produce holographic images that are almost identical to the original scene. Color holograms and holographic optical elements (HOEs) are becoming increasingly attractive. Since the 1990s the developments in other technology areas have created many potential new applications for color holograms and HOEs but again these new market areas are unexploited due to the lack of a suitable color holographic recording material. This restricts the commercial and technical development and exploitation of holographic-based industries, applications, techniques and processes. There is not a sufficient, commercial recording material for color holograms and HOEs. Most of the materials that are in use at present have relative poor performance and many manufacture methods of the materials are limited to laboratory scale. This paper presents fabrication details of ultra-fine grain (5 -10 nm), high sensitivity (less than 2.0 mJcm -2), low light-scattering, panchromatic silver halide emulsions. Such materials can be used for high-quality 3-D imaging recording techniques, including color holograms and HOEs. A comprehensive approach regarding all aspects of the emulsion preparation, from the precipitation of the silver halide crystals to sensitization and coating is provided. There are also recommendations regarding the processing of the material in order to achieve optimum performance.

  11. Structural and Chemical Analysis of Gadolinium Halides Encapsulated within WS 2 Nanotubes

    KAUST Repository

    Anumol, E A

    2016-05-18

    The hollow cavities of nanotubes could serve as templates for the growth of size- and shape-confined functional nanostructures, giving rise to novel materials and properties. In this work, considering their potential application as MRI contrast agents, gadolinium halides are encapsulated within the hollow cavities of inorganic nanotubes of WS2 by capillary filling to obtain GdX3@WS2 nanotubes (where X = Cl, Br or I and @ means encapsulated in). Aberration corrected scanning/transmission electron microscopy (S/TEM) and spectroscopy is employed to understand the morphology and composition of the GdI3@WS2 nanotubes. The three dimensional morphology is studied with STEM tomography but understanding the compositional information is a non-trivial matter due to the presence of multiple high atomic number elements. Therefore, energy dispersive X-ray spectroscopy (EDS) tomography was employed revealing the three dimensional chemical composition. Molecular dynamics simulations of the filling procedure shed light into the mechanics behind the formation of the confined gadolinium halide crystals. The quasi-1D system employed here serves as an example of a TEM-based chemical nanotomography method that could be extended to other materials, including beam-sensitive soft materials.

  12. TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides

    International Nuclear Information System (INIS)

    Sawicka, Marlena; Storoniak, Piotr; Skurski, Piotr; Blazejowski, Jerzy; Rak, Janusz

    2006-01-01

    The thermal decomposition of quaternary methylammonium halides was studied using thermogravimetry coupled to FTIR (TG-FTIR) and differential scanning calorimetry (DSC) as well as the DFT, MP2 and G2 quantum chemical methods. There is almost perfect agreement between the experimental IR spectra and those predicted at the B3LYP/6-311G(d,p) level: this has demonstrated for the first time that an equimolar mixture of trimethylamine and a methyl halide is produced as a result of decomposition. The experimental enthalpies of dissociation are 153.4, 171.2, and 186.7 kJ/mol for chloride, bromide and iodide, respectively, values that correlate well with the calculated enthalpies of dissociation based on crystal lattice energies and quantum chemical thermodynamic barriers. The experimental activation barriers estimated from the least-squares fit of the F1 kinetic model (first-order process) to thermogravimetric traces - 283, 244 and 204 kJ/mol for chloride, bromide and iodide, respectively - agree very well with theoretically calculated values. The theoretical approach assumed in this work has been shown capable of predicting the relevant characteristics of the thermal decomposition of solids with experimental accuracy

  13. Time Domain View of Liquid-like Screening and Large Polaron Formation in Lead Halide Perovskites

    Science.gov (United States)

    Joshi, Prakriti Pradhan; Miyata, Kiyoshi; Trinh, M. Tuan; Zhu, Xiaoyang

    The structural softness and dynamic disorder of lead halide perovskites contributes to their remarkable optoelectronic properties through efficient charge screening and large polaron formation. Here we provide a direct time-domain view of the liquid-like structural dynamics and polaron formation in single crystal CH3NH3PbBr3 and CsPbBr3 using femtosecond optical Kerr effect spectroscopy in conjunction with transient reflectance spectroscopy. We investigate structural dynamics as function of pump energy, which enables us to examine the dynamics in the absence and presence of charge carriers. In the absence of charge carriers, structural dynamics are dominated by over-damped picosecond motions of the inorganic PbBr3- sub-lattice and these motions are strongly coupled to band-gap electronic transitions. Carrier injection from across-gap optical excitation triggers additional 0.26 ps dynamics in CH3NH3PbBr3 that can be attributed to the formation of large polarons. In comparison, large polaron formation is slower in CsPbBr3 with a time constant of 0.6 ps. We discuss how such dynamic screening protects charge carriers in lead halide perovskites. US Department of Energy, Office of Science - Basic Energy Sciences.

  14. Alkali aggregate reactions in concrete: a review of the Ethiopian ...

    African Journals Online (AJOL)

    The reaction of aggregates with alkalis in the cement to produce alkali silica reaction and alkali carbonate reaction is reviewed. The effects of the two reactions on the durability of concrete structures are highlighted. By taking samples of aggregates and cement test results, the potential of alkali silica reaction in Ethiopia is ...

  15. Process to separate alkali metal salts from alkali metal reacted hydrocarbons

    Science.gov (United States)

    Gordon, John Howard; Alvare, Javier; Larsen, Dennis; Killpack, Jeff

    2017-06-27

    A process to facilitate gravimetric separation of alkali metal salts, such as alkali metal sulfides and polysulfides, from alkali metal reacted hydrocarbons. The disclosed process is part of a method of upgrading a hydrocarbon feedstock by removing heteroatoms and/or one or more heavy metals from the hydrocarbon feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase containing alkali metal salts and reduced heavy metals, and an upgraded hydrocarbon feedstock. The inorganic phase may be gravimetrically separated from the upgraded hydrocarbon feedstock after mixing at a temperature between about 350.degree. C. to 400.degree. C. for a time period between about 15 minutes and 2 hours.

  16. Modulation of valence band maximum edge and photocatalytic activity of BiOX by incorporation of halides.

    Science.gov (United States)

    Lv, Jiaxin; Hu, Qingsong; Cao, Chengjin; Zhao, Yaping

    2018-01-01

    To better know the photocatalytic performance of bismuth oxyhalides (BiOX, X = Cl, Br, I) regulated by incorporation of halides within nanostructures, BiOX nanosheets were synthesized through morphology controllable solvothermal method and characterized systematically. The organic structural property greatly influences the photocatalytic activity of BiOX: 1) as for neutral molecular phenol, BiOX shows photocatalytic activity in the order of BiOCl > BiOBr > BiOI under simulated sun light irradiation, and the photo-oxidation kinetics follow Eley-Rideal mechanism; and 2) for adsorbed anionic orange II (OII) and cationic methylene blue (MB), BiOX shows photocatalytic activity in the order of BiOCl > BiOBr > BiOI, and the photo-oxidation kinetics follow Langmuir-Hinshelwood mechanism. The crystal structure of the catalyst also greatly influences the photocatalytic activity of BiOX: 1) The relative photo-oxidation power of O 2 •- radicals or HO radicals involved in this study were different which were quantitatively detected using typical radical trapping agent, separately; 2) The relative oxidation power of photogenerated holes (h + ) in this study were in the order of BiOCl > BiOBr > BiOI, which may be ascribed to lowering the valence band maximum edge of BiOX through incorporation of halides as the atomic number of halides decreased. This study provides novel explanation for fabricating BiOX heterojunctions with tunable photocatalytic reactivity via regulating the halides ratio. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Density of mixed alkali borate glasses: A structural analysis

    International Nuclear Information System (INIS)

    Doweidar, H.; El-Damrawi, G.M.; Moustafa, Y.M.; Ramadan, R.M.

    2005-01-01

    Density of mixed alkali borate glasses has been correlated with the glass structure. It is assumed that in such glasses each alkali oxide associates with a proportional quantity of B 2 O 3 . The number of BO 3 and BO 4 units related to each type of alkali oxide depends on the total concentration of alkali oxide. It is concluded that in mixed alkali borate glasses the volumes of structural units related to an alkali ion are the same as in the corresponding binary alkali borate glass. This reveals that each type of alkali oxide forms its own borate matrix and behaves as if not affected with the presence of the other alkali oxide. Similar conclusions are valid for borate glasses with three types of alkali oxide

  18. Milk Alkali and Hydrochlorothiazide: A Case Report

    Directory of Open Access Journals (Sweden)

    Babar Parvez

    2011-01-01

    Full Text Available Hypercalcemia is a relatively common clinical problem in both outpatient and inpatient settings. Primary pathophysiology is the entry of calcium that exceeds its excretion into urine or deposition in bone into circulation. Among a wide array of causes of hypercalcemia, hyperparathyroidism and malignancy are the most common, accounting for greater than 90 percent of cases. Concordantly, there has been a resurgence of milk-alkali syndrome associated with the ingestion of large amounts of calcium and absorbable alkali, making it the third leading cause of hypercalcemia (Beall and Scofield, 1995 and Picolos et al., 2005. This paper centers on a case of over-the-counter calcium and alkali ingestion for acid reflux leading to milk alkali with concordant use of thiazide diuretic for hypertension.

  19. Lattice dynamics and the nature of structural transitions in organolead halide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; Herron, Norman; Guise, William E.; Wang, Xiaoping; Whitfield, Pamela S.; Jain, Ankit; Gong, Xiwen; McGaughey, Alan J. H.; Sargent, Edward H.

    2016-09-09

    Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic x-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our findings confirm the displacive nature of the cubic-to-tetragonal phase transition, which is further shown, using neutron and x-ray diffraction, to be close to a tricritical point. Lastly, we detect quasistatic symmetry-breaking nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These findings reveal key structural properties of these materials, and also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.

  20. 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.

  1. Calcium silicate hydrate: Crystallisation and alkali sorption

    International Nuclear Information System (INIS)

    Hong, S.

    2000-01-01

    Homogeneous single C-S-H gels has been prepared for the investigation of alkali binding potential and crystallisation. A distribution coefficient, R d , was introduced to express the partition of alkali between solid and aqueous phases at 25 deg. C. R d is independent of alkali hydroxide concentration and depends only on Ca:Si ratio over wide ranges of alkali concentration. The trend of numerical values of R d indicates that alkali bonding into the solid improves as its Ca:Si ratio decreases. Reversibility is demonstrated, indicating a possibility of constant R d value of the material. Al has been introduced to form C-A-S-H gels and their alkali sorption properties also determined. Al substituted into C-S-H markedly increases R d , indicating enhancement of alkali binding. However, the dependence of R d on alkali concentration is non-ideal with composition. A two-site model for bonding is presented. Crystallisation both under saturated steam and 1 bar vapour pressure has been investigated. It has been shown that heat treatment by saturated steam causes crystallisation of gels. The principal minerals obtained were (i) C-S-H gel and Ca(OH) 2 at -55 deg. C, (ii) 1.1 nm tobermorite, jennite and afwillite at 85 -130 deg. C, and (iii) xonotlite, foshagite and hillebrandite at 150-180 deg. C. Properties of crystalline C-S-H were also reported for reversible phase transformation, pH conditioning ability, seeding effect and solubility. At 1 bar pressure, crystallisation is slower than in saturated steam due to lower water activity. Tobermorite-like nanodomains develop during reaction at low Ca/Si ratios. In some Ca-rich compositions, Ca(OH) 2 is exsolved and occurs as nano-sized crystallites. (author)

  2. 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...

  3. 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.

  4. 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.

  5. EPR Study of Hole-Trapping at Cation Vacancies in Silver-Halides

    Science.gov (United States)

    Kao, Chien-Teh

    The hole-trapping at cation vacancies in silver halides is studied by means of electron paramagnetic resonance (EPR). The studied silver halide crystals were doped with trivalent Fe, and also with one of the divalent ions Ca, Cd, or Zn. The former dopant is to serve as a hole source upon sub-band-gap irradiation, while the latter increases the concentration of silver vacancies in the crystal. In AgCl, the photo-hole is observed to become self-trapped at a silver ion at a regular lattice site near a cation vacancy. The thermal stability of the resulting vacancy-perturbed self-trapped hole (STH) is found to be substantially enhanced by the presence of the nearby vacancy. Due to the close similarity of the EPR spectrum of the new centers to that of the normal STH, the existence of the vacancy-perturbed STH centers is further confirmed by isochronal annealing experiments. By comparing the intensities of the 20K STH spectra after annealing at successively higher temperatures, it is demonstrated that, in fact, there exist two types of vacancy-perturbed STH centers, one of which decays at 70K and the other survives up to a higher temperature (110K). In addition, by computer simulation, the position of the perturbing vacancy is determined to be located at the next-nearest-neighbor position for the less stable perturbed STH. On the other hand, in AgBr, no corresponding effects have been seen here. This result is in contrast to what is expected from Kanzaki's optical absorption experiments, in which an absorption line was assigned to a hole trapped near a cation vacancy in AgBr. The metastable nature of the self-trapped hole state in AgBr might probably provide explanation for the absence of such a resonance, even with the stabilizing effect of a nearby silver vacancy.

  6. The effect of illumination on the formation of metal halide perovskite films

    Science.gov (United States)

    Ummadisingu, Amita; Steier, Ludmilla; Seo, Ji-Youn; Matsui, Taisuke; Abate, Antonio; Tress, Wolfgang; Grätzel, Michael

    2017-04-01

    Optimizing the morphology of metal halide perovskite films is an important way to improve the performance of solar cells when these materials are used as light harvesters, because film homogeneity is correlated with photovoltaic performance. Many device architectures and processing techniques have been explored with the aim of achieving high-performance devices, including single-step deposition, sequential deposition and anti-solvent methods. Earlier studies have looked at the influence of reaction conditions on film quality, such as the concentration of the reactants and the reaction temperature. However, the precise mechanism of the reaction and the main factors that govern it are poorly understood. The consequent lack of control is the main reason for the large variability observed in perovskite morphology and the related solar-cell performance. Here we show that light has a strong influence on the rate of perovskite formation and on film morphology in both of the main deposition methods currently used: sequential deposition and the anti-solvent method. We study the reaction of a metal halide (lead iodide) with an organic compound (methylammonium iodide) using confocal laser scanning fluorescence microscopy and scanning electron microscopy. The lead iodide crystallizes before the intercalation of methylammonium iodide commences, producing the methylammonium lead iodide perovskite. We find that the formation of perovskite via such a sequential deposition is much accelerated by light. The influence of light on morphology is reflected in a doubling of solar-cell efficiency. Conversely, using the anti-solvent method to form methyl ammonium lead iodide perovskite in a single step from the same starting materials, we find that the best photovoltaic performance is obtained when films are produced in the dark. The discovery of light-activated crystallization not only identifies a previously unknown source of variability in opto-electronic properties, but also opens up

  7. Halide Edib Adıvar and University Education

    OpenAIRE

    Erdal, Kelime

    2008-01-01

    As a writer worked at a university, Halide Edib Adıvar points out the problems of the university students and the people work there. The students studying abroad with many difficulties, can’t find an appropriate occupation related with the subject they have studied. Carefully choosing students who will be sent to abroad and their education in the light of our country’s needs is very important. In this article, Halide Edib’s ideas about financial problems of university members, students not wo...

  8. Influence of alkali and alkaline earth ions on the O-alkylation of the ...

    Indian Academy of Sciences (India)

    WINTEC

    Influence of alkali and alkaline earth ions on the O-alkylation of the lower rim phenolic-OH groups of p-tert-butyl-calix[4]arene to result in amide-pendants: Template action of K. + and the structure of. K. + bound tetra-amide derivative crystallized with a p-tert-butyl- calix[4]arene anion. AMJAD ALI,1,3 CHEBROLU P RAO1,* ...

  9. 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.

  10. A case study of Copper Pyridazine Halides

    Indian Academy of Sciences (India)

    In this paper, therefore, we demonstrate a retrosynthetic analysis to interpret the occurrence of isostructures and supramolecular isomers and predict the possibility of new phases in copperhalide-pyridazine- H₂O system. A significant feature of this paper is the use of crystal engineering tools, namely, synthons and tectons ...

  11. He atom surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations have focused primarily on surface structure and dynamics of ionic insulators, epitaxial growth onto alkali halide crystals and multiphoton studies. The surface dynamics of RbCl has been re-examined. We have developed a simple force constant model which provides insight into the dynamics of KBr overlayers on NaCl(001), a system with a large lattice mismatch. The KBr/NaCl(001) results are compared to Na/Cu(001) and NaCl/Ge(001). We have completed epitaxial growth experiments for KBr onto RbCl(001). Slab dynamics calculations using a shell model for this system with very small lattice mismatch are being carried out in collaboration with Professor Manson of Clemson University and with Professor Schroeder in Regensburg, Germany. Extensive experiments on multiphoton scattering of helium atoms onto NaCl and, particularly, LiF have been carried out and the theory has been developed to a rather advanced stage by Professor Manson. This work will permit the extraction of more information from time-of-flight spectra. It is shown that the theoretical model provides a very good description of the multiphoton scattering from organic films. Work has started on self-assembling organic films on gold (alkyl thiols/Au(111)). We have begun to prepare and characterize the gold crystal; one of the group members has spent two weeks at the Oak Ridge National Laboratory learning the proper Au(111) preparation techniques. One of our students has carried out neutron scattering experiments on NiO, measuring both bulk phonon and magnon dispersion curves

  12. Thermalization of different alkali and alkali-earth elements at the TRI mu P facility

    NARCIS (Netherlands)

    Shidling, P. D.; Giri, G. S.; van der Hoek, D. J.; Jungmann, K.; Kruithof, W. L.; Onderwater, C. J. G.; Santra, B.; Sohani, M.; Versolato, O. O.; Willmann, L.; Wilschut, H. W.

    2010-01-01

    Radioactive isotopes produced by the in-flight method are converted into low-energy ions with a thermal ionizer (TI) ion catcher, the operation of which is based on a hot cavity ion source. The extraction efficiency of the TI for different alkali and alkali-earth elements has been studied and

  13. Studies on the alkali-silica reaction rim in a simplified calcium-alkali-silicate system

    NARCIS (Netherlands)

    Zheng, Kunpeng; Adriaensens, Peter; De Schutter, Geert; Ye, G.; Taerwe, Luc

    2016-01-01

    This work is intended to provide a better understanding about the properties and roles of the reaction rim in an alkali-silica reaction. A simplified calcium-alkali-silicate system was created to simulate the multiple interactions among reactive silica, alkaline solution and portlandite near the

  14. Pressure-Induced Structural and Optical Properties of Inorganic Halide Perovskite CsPbBr3.

    Science.gov (United States)

    Zhang, Long; Zeng, Qingxin; Wang, Kai

    2017-08-17

    Perovskite photovoltaic materials are gaining sustained attention because of their excellent photovoltaic properties and extensive practical applicability. In this Letter, we discuss the changes in the structure and optical properties of CsPbBr 3 under high pressure. As the pressure increased, the band gap initially began to red shift before 1.0 GPa followed by a continuous blue shift until the crystal was completely amorphized. An isostructural phase transition at 1.2 GPa was determined by high-pressure synchrotron X-ray and Raman spectroscopy. The result could be attributed to bond length shrinkage and PbBr 6 octahedral distortion under high pressure. The amorphization of the crystal was due to the severe distortion and tilt of the PbBr 6 octahedron, leading to broken long-range order. Changes in optical properties are closely related to the evolution of the crystal structure. Our discussion shows that high-pressure study can be used as an effective means to tune the structure and properties of all-inorganic halide perovskites.

  15. Studying thermal dehydration of double nickel alkali metal pyrophosphates

    International Nuclear Information System (INIS)

    Bykanova, T.A.; Lavrov, A.V.; AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

    1978-01-01

    The methods of thermogravimetry, paper chromatography, infrared spectroscopy and X-ray phase analysis were used in studying the process of thermal dehydration of pyrophosphates of the M 2 Ni 3 (P 2 O 7 ) 2 xnH 2 O type (where n=6, 10; M=Na, K, Rb, Cs, NH 4 ). The dehydration of Cs 2 Ni 3 (P 2 O 7 ) 2 x10H 2 O proceeds in a single stage (endothermal effect at 210 deg C). The exothermal effects at 730 and 690 deg C correspond to the crystallization of the amorphous dehydration products. It has been established that binary pyrophosphates of nickel with alkali metals decompose when heated into Ni 3 (PO 4 ) 2 +MPO 4

  16. Alkali metal and alkali metal hydroxide intercalates of the layered transition metal disulfides

    International Nuclear Information System (INIS)

    Kanzaki, Y.; Konuma, M.; Matsumoto, O.

    1981-01-01

    The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS 2 amd NbS 2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the intercalates of TaS 2 and vice versa in those of NbS 2 . (orig.)

  17. Freezing of liquid alkali metals as screened ionic plasmas

    International Nuclear Information System (INIS)

    Badirkhan, Z.; Rovere, M.; Tosi, M.P.

    1990-08-01

    The relationship between Wigner crystallization of the classical ionic plasma and the liquid-solid transition of alkali metals is examined within the density wave theory of freezing. Freezing of the classical plasma on a rigid neutralizing background into the bcc structure is first re-evaluated, in view of recent progress in the determination of its thermodynamic functions by simulation and of the known difficulties of the theory relating to the order parameter at the (200) star of reciprocal lattice vectors. Freezing into the fcc structure is also considered in this context and found to be unfavoured. On allowing for long-wavelength deformability of the background, the ensuing appearance of a volume change on freezing into the bcc structure is accompanied by reduced stability of the fluid phase and by an increase in the entropy of melting. Freezing of alkali metals into the bcc structure is next evaluated, taking their ionic pair structure as that of an ionic plasma reference fluid screened by conduction electrons and asking that the correct ionic coupling strength at liquid-solid coexistence should be approximately reproduced. The ensuring values of the volume and entropy changes across the phase transition, as estimated from the theory by two alternative routes, are in reasonable agreement with experiment. The order parameters of the phase transition, excepting the (200) one, conform rather closely to a Gaussian behaviour and yield a Lindemann ratio in reasonable agreement with the empirical value for melting of bcc crystals. It is suggested that ionic ordering at the (200) star in the metal may be (i) assisted by medium range ordering in the conduction electrons, as indicated by differences in X-ray and neutron diffraction intensities from the liquid, and/or (ii) quite small in the hot bcc solid. Such a possible premelting behaviour of bcc metals should be worth testing experimentally by diffraction. (author). 48 refs, 1 fig., 1 tab

  18. Efficient and convenient oxidation of benzyl halides to carbonyl ...

    African Journals Online (AJOL)

    ketones in good to high yields by phase transfer catalysis combined with sodium nitrate and acetic acid at reflux. As a result, a simple and high yield procedure has been developed. KEY WORDS: Oxidation, Benzyl halides, Phase transfer catalyst, ...

  19. 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

  20. 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…

  1. 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.

  2. 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 ...

  3. 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.

  4. International Symposium on Halide Glasses (2nd) (Extended Abstracts).

    Science.gov (United States)

    1983-08-05

    Glasses In the CuCI -CsBr-PbBr, System" T. Yamagishi, J. Nishii and Y. Kaite, Nippon Sheet Glass Co., Itami City, Japan The glass forming ability of...PbBr2 melts which contained various other halides have been investigated. Among the systems studied, the ternary system CuCI -CsBr-PbBr2 showed a

  5. 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

  6. 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

  7. Semiempirical and DFT Investigations of the Dissociation of Alkyl Halides

    Science.gov (United States)

    Waas, Jack R.

    2006-01-01

    Enthalpy changes corresponding to the gas phase heats of dissociation of 12 organic halides were calculated using two semiempirical methods, the Hartree-Fock method, and two DFT methods. These calculated values were compared to experimental values where possible. All five methods agreed generally with the expected empirically known trends in the…

  8. Silica enigma and ignorance in alkali

    International Nuclear Information System (INIS)

    Du Letian.

    1990-01-01

    Si migration and K, Na alterations are two key problems for understanding the whole process of hydrothermal metallogenesis, but they have not attracted sufficient attention of geologists for a long time. It is impossible for us to know hydrothermal metallogenetic regularity actually without studying dequartzfication and alkali-introduction. Being distinct from common habitual thinking, it is considered that ore-forming elements are micro-amount, passive subordinate components in the flow of hydrothermal matter movement, and there is no metallogenesis for a certain element in nature. Except that the ore source is controlled by the uneven distribution ore-forming elements in the mantle and crust the same metallogenesis may almost lead to the formation of deposits of all elements. Principal active components in the hydrothermal matter system include alkali, silica and acid volatiles. The ternary system has determined the fate of release, activation, migration, precipitaion and concentration of ore-forming elements. Each member of the ternary system plays a different role in metallogenesis, having marvellous functional division of work. of these three members main control factor is alkali metal, whereas silica and acid are constrained by alkali. Acidic matter (including silica) and ore-forming elements are derivatives from activities of alkali metals

  9. Rb-Sr Isotopic Systematics of Alkali-Rich Fragments in the Yamato-74442 LL-Chondritic Breccia

    Science.gov (United States)

    Yokoyama, T.; Misawa, K.; Okano, O.; Shih, C.-Y.; Nyquist, L. E.; Simo, J. I.; Tappa, M. J.; Yoneda, S.

    2012-01-01

    Alkali-rich igneous fragments were identified in the brecciated LL-chondrites, Kr henberg (LL5)], Bhola (LL3-6) and Yamato (Y)-74442 (LL4), and show characteristic fractionation patterns of alkaline elements. The K-Rb-Cs-rich fragments in Kr henberg, Bhola, and Y-74442 are very similar in mineralogy and petrography (olivine + pyroxene + glass), suggesting that they could have come from related precursor materials. We have undertaken Rb-Sr isotopic studies on alkali-rich fragments in Y-74442 to precisely determine their crystallization ages and the isotopic signatures of their precursor material(s).

  10. Characterization of an Alkali- and Halide-Resistant Laccase Expressed in E. coli: CotA from Bacillus clausii

    DEFF Research Database (Denmark)

    Brander, Søren; Mikkelsen, Jørn Dalgaard; Kepp, Kasper Planeta

    2014-01-01

    . subtilis. Both laccases were expressed in E. coli strain BL21(DE3) and characterized fully in parallel for strict benchmarking. We report activity on ABTS, SGZ, DMP, caffeic acid, promazine, phenyl hydrazine, tannic acid, and bilirubin at variable pH. Whereas ABTS, promazine, and phenyl hydrazine...... activities vs. pH were similar, the activity of B. clausii cotA was shifted upwards by ,0.5–2 pH units for the simple phenolic substrates DMP, SGZ, and caffeic acid. This shift is not due to substrate affinity (KM) but to pH dependence of catalytic turnover: The kcat of B. clausii cotA was 1 s21 at pH 6...... and 5 s21 at pH 8 in contrast to 6 s21 at pH 6 and 2 s21 at pH 8 for of B. subtilis cotA. Overall, kcat/KM was 10-fold higher for B. subtilis cotA at pHopt. While both proteins were heat activated, activation increased with pH and was larger in cotA from B. clausii. NaCl inhibited activity at acidic p...

  11. Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-halide Salts and Their Mixtures in Water and in Hydrochloric Acid

    Czech Academy of Sciences Publication Activity Database

    Moučka, F.; Lísal, Martin; Smith, W. R.

    2012-01-01

    Roč. 116, č. 18 (2012), s. 5468-5478 ISSN 1520-6106 R&D Projects: GA ČR GA203/08/0094; GA MŠk LH12020 Grant - others:NSERC(CA) OGP1041; EC(XE) COST TD0802 Institutional research plan: CEZ:AV0Z40720504 Keywords : molecular simulation s * electrolyte hydrates * oemc simulation s Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.607, year: 2012

  12. Study of the point defect creation and of the excitonic luminescence in alkali halides irradiated by swift heavy ions

    International Nuclear Information System (INIS)

    Protin, L.

    1994-01-01

    The aim of this experimental thesis is to study the excitonic mechanisms and of the defect creation, in NaCl and KBr, under dense electronic excitations induced by swift heavy ion irradiations. In the first part, we present the main features of the interaction of swift heavy ions with solid targets, and after we review the well known radiolytic processes of the defect creation during X-ray irradiation. In the second chapter, we describe our experimental set-up. In the chapter III, we present our results of the in-situ optical absorption measurements. This results show that defect creation is less sensitive to the temperature than during a classical irradiation. Besides, we observe new mechanisms concerning the defect aggregation. In the chapter IV, we present the results of excitonic luminescence induced by swift by swift heavy ions. We observe that the luminescence yields only change with the highest electronic stopping power. In the chapter V, we perform thermal spike and luminescence yields calculations and we compare the numerical results to the experiments presented in the chapter IV. (author). 121 refs., 65 figs., 30 tabs

  13. Examination of Organic Vapor Adsorption onto Alkali Metal and Halide Atomic Ions by using Ion Mobility Mass Spectrometry.

    Science.gov (United States)

    Maiβer, Anne; Hogan, Christopher J

    2017-11-03

    We utilize ion mobility mass spectrometry with an atmospheric pressure differential mobility analyzer coupled to a time-of-flight mass spectrometer (DMA-MS) to examine the formation of ion-vapor molecule complexes with seed ions of K + , Rb + , Cs + , Br - , and I - exposed to n-butanol and n-nonane vapor under subsaturated conditions. Ion-vapor molecule complex formation is indicated by a shift in the apparent mobility of each ion. Measurement results are compared to predicted mobility shifts based upon the Kelvin-Thomson equation, which is commonly used in predicting rates of ion-induced nucleation. We find that n-butanol at saturation ratios as low as 0.03 readily binds to all seed ions, leading to mobility shifts in excess of 35 %. Conversely, the binding of n-nonane is not detectable for any ion for saturation ratios in the 0-0.27 range. An inverse correlation between the ionic radius of the initial seed and the extent of n-butanol uptake is observed, such that at elevated n-butanol concentrations, the smallest ion (K + ) has the smallest apparent mobility and the largest (I - ) has the largest apparent mobility. Though the differences in behavior of the two vapor molecules types examined and the observed effect of ionic seed radius are not accounted for by the Kelvin-Thomson equation, its predictions are in good agreement with measured mobility shifts for Rb + , Cs + , and Br - in the presence of n-butanol (typically within 10 % of measurements). © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  14. Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry

    Czech Academy of Sciences Publication Activity Database

    Vlček, L.; Uhlík, F.; Moučka, F.; Nezbeda, Ivo; Chialvo, L.

    2015-01-01

    Roč. 119, č. 3 (2015), s. 488-500 ISSN 1089-5639 Institutional support: RVO:67985858 Keywords : monte-carlo simulations * molecular-dynamic simulations * classical drude oscillators Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.883, year: 2015

  15. 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

  16. Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

    KAUST Repository

    Alahmary, Fatimah S.

    2014-05-01

    The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4-tetrahedral building blocks and metals gives rise to a broad structural variety where approximately one third of all known ternary (A/P/S) and quaternary (A/M/P/S) (A = alkali metal, M = metal) structures are acentric and potential nonlinear optical materials. The molten alkali metal polychalcophosphate fluxes are a well-established method for the synthesis of new ternary and quaternary thiophosphate and selenophosphate compounds. It has been a wide field of study and investigation through the last two decades. Here, the flux method is used for the synthesis of new quaternary phases containing Rb, Ag, P and S. Four new alkali metal thiophosphates, Rb4P2S10, RbAg5(PS4), Rb2AgPS4 and Rb3Ag9(PS4)4, have been synthesized successfully from high purity elements and binary starting materials. The new compounds were characterized by single crystal and powder X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), ultraviolet-visible (UV-VIS), Raman spectroscopy, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). These compounds show interesting structural variety and physical properties. The crystal structures feature 3D anionic framework built up of PS4 tetrahedral units and charge balanced by Ag and alkali metal cations. All prepared compounds are semiconductors with band gap between 2.3 eV to 2.6 eV and most of them are thermally stable up to 600ºC.

  17. Effect of alkali and heat treatments for bioactivity of TiO2 nanotubes

    Science.gov (United States)

    Kim, Seo young; Kim, Yu kyoung; Park, Il song; Jin, Guang chun; Bae, Tae sung; Lee, Min ho

    2014-12-01

    In this study, for improving the bioactivity of titanium used as an implant material, alkali and heat treatments were carried out after formation of the nanotubes via anodization. Nanotubes with uniform length, diameter, and thickness were formed by anodization. The alkali and heat-treated TiO2 nanotubes were covered with the complex network structure, and the Na compound was generated on the surface of the specimens. In addition, after 5 and 10 days of immersion in the SBF, the crystallized OCP and HAp phase was significantly increased on the surface of the alkali-treated TiO2 nanotubes (PNA) and alkali and heat-treated TiO2 nanotubes (PNAH) groups. Cell proliferation was decreased due to the formation of amorphous sodium titanate (Na2TiO3) layer on the surface of the PNA group. However, anatase and crystalline sodium titanate were formed on the surface of the PNAH group after heat treatment at 550 °C, and cell proliferation was improved. Thus, PNA group had higher HAp forming ability in the simulated body fluid. Additional heat treatment affected on enhancement of the bioactivity and the attachment of osteoblasts for PNA group.

  18. Superconductivity in alkali-doped C60

    International Nuclear Information System (INIS)

    Ramirez, Arthur P.

    2015-01-01

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

  19. In.sup.+./sup., Pb.sup.2+./sup. and Bi.sup.3+./sup. in KBr crystal: Luminescence dynamics

    Czech Academy of Sciences Publication Activity Database

    Polák, Karel; Mihóková, Eva

    2010-01-01

    Roč. 32, č. 10 (2010), s. 1280-1282 ISSN 0925- 3467 . [5th International Symposium on Laser, Scintillator and Non Linear Optical Materials (ISLNOM - 5). Pisa, 03.09.2009-05.09.2009] Institutional research plan: CEZ:AV0Z10100521 Keywords : alkali halides * optical properties * photoluminescence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.679, year: 2010

  20. Alkali-bonded composites for thermal and acoustic insulation

    OpenAIRE

    Medri, Valentina

    2012-01-01

    Geopolymers are alkali bonded ceramics that thank to their fully inolrganic nature have high temperature resistance depending on their compositions. An overview of the research of ISTEC on Alkali-bonded composites for thermal and acoustic insulation have been presented

  1. Crystal structure from one-electron theory

    DEFF Research Database (Denmark)

    Skriver, H. L.

    1985-01-01

    by the theory, the predicted crystal structures are in accord with experiment in all cases except 79Au. In addition, they have investigated the effect of pressure upon the alkali metals (3Li, 11Na, 37Rb, 55Cs) and selected lanthanide metals (57La, 58Ce, 71Lu) and actinide metals (90Th, 91Pa). In these cases...

  2. Lanthanum halide scintillators: Properties and applications

    International Nuclear Information System (INIS)

    Iltis, Alain; Mayhugh, M.R.; Menge, P.; Rozsa, C.M.; Selles, O.; Solovyev, V.

    2006-01-01

    BrilLanCe[reg]-350 and BrilLanCe[reg]-380, Saint-Gobain Crystals' trade-names for LaCl 3 :Ce and LaBr 3 :Ce are being brought to market under exclusive license to Delft and Bern Universities. We are reporting the properties of crystals produced with commercially viable processes and find they match others' observations. These scintillators are bright (60,000 photons/MeV for LaBr 3 :Ce) and have very linear response, a combination that leads to very good energy resolution ( 3 :Ce). The materials also have fast scintillation decay times ( 3 :Ce). These excellent properties are retained at high temperature with only moderate light loss ( 138 and Ac 227 , the latter having been substantially reduced in recent processing. BrilLanCe[reg]-350 is now available in detectors up to 51 mm diameter while 38 mm diameter is available for BrilLanCe[reg]-380. Larger sizes are expected

  3. Purification and characterization of an extracellular, thermo-alkali-stable, metal tolerant laccase from Bacillus tequilensis SN4.

    Directory of Open Access Journals (Sweden)

    Sonica Sondhi

    Full Text Available A novel extracellular thermo-alkali-stable laccase from Bacillus tequilensis SN4 (SN4LAC was purified to homogeneity. The laccase was a monomeric protein of molecular weight 32 KDa. UV-visible spectrum and peptide mass fingerprinting results showed that SN4LAC is a multicopper oxidase. Laccase was active in broad range of phenolic and non-phenolic substrates. Catalytic efficiency (kcat/Km showed that 2, 6-dimethoxyphenol was most efficiently oxidized by the enzyme. The enzyme was inhibited by conventional inhibitors of laccase like sodium azide, cysteine, dithiothreitol and β-mercaptoethanol. SN4LAC was found to be highly thermostable, having temperature optimum at 85°C and could retain more than 80% activity at 70°C for 24 h. The optimum pH of activity for 2, 6-dimethoxyphenol, 2, 2'-azino bis[3-ethylbenzthiazoline-6-sulfonate], syringaldazine and guaiacol was 8.0, 5.5, 6.5 and 8.0 respectively. Enzyme was alkali-stable as it retained more than 75% activity at pH 9.0 for 24 h. Activity of the enzyme was significantly enhanced by Cu2+, Co2+, SDS and CTAB, while it was stable in the presence of halides, most of the other metal ions and surfactants. The extracellular nature and stability of SN4LAC in extreme conditions such as high temperature, pH, heavy metals, halides and detergents makes it a highly suitable candidate for biotechnological and industrial applications.

  4. Density functional study of ferromagnetism in alkali metal thin films

    Indian Academy of Sciences (India)

    model (UJM), and it is argued that within LSDA or GGA, alkali metal thin films cannot be claimed to have an FM ground state. Relevance of these results to the experiments on transition metal-doped alkali metal thin films and bulk hosts are also discussed. Keywords. Alkali metal; thin films; magnetism; density functional ...

  5. 40 CFR 721.4660 - Alcohol, alkali metal salt.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alcohol, alkali metal salt. 721.4660... Substances § 721.4660 Alcohol, alkali metal salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance generically identified as alcohol, alkali metal salt (PMN P-91-151) is...

  6. 40 CFR 721.4740 - Alkali metal nitrites.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal nitrites. 721.4740... Substances § 721.4740 Alkali metal nitrites. (a) Chemical substances and significant new use subject to reporting. (1) The category of chemical substances which are nitrites of the alkali metals (Group IA in the...

  7. 40 CFR 721.5278 - Substituted naphthalenesulfonic acid, alkali salt.

    Science.gov (United States)

    2010-07-01

    ..., alkali salt. 721.5278 Section 721.5278 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.5278 Substituted naphthalenesulfonic acid, alkali salt. (a) Chemical... as a substituted naphthalenesulfonic acid, alkali salt (PMN P-95-85) is subject to reporting under...

  8. 40 CFR 721.1878 - Alkali metal alkyl borohydride (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal alkyl borohydride... Specific Chemical Substances § 721.1878 Alkali metal alkyl borohydride (generic). (a) Chemical substance... alkali metal alkyl borohydride (PMN P-00-1089) is subject to reporting under this section for the...

  9. 40 CFR 721.8900 - Substituted halogenated pyridinol, alkali salt.

    Science.gov (United States)

    2010-07-01

    ..., alkali salt. 721.8900 Section 721.8900 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.8900 Substituted halogenated pyridinol, alkali salt. (a) Chemical... as substituted halogenated pyridinols, alkali salts (PMNs P-88-1271 and P-88-1272) are subject to...

  10. Synthesis and characterization of the 1.1 adducts of copper(1) halides with bidentatate N,N-bis(benzophenone)-1,2-diiminoethane Schiff bases: Crystal structures of [Cu(bz2en)2][CuX2](X=Br,l) complexes

    NARCIS (Netherlands)

    Kia, Reza; Mirkhani, Valiollah; Harkema, Sybolt; van Hummel, G.J.

    2007-01-01

    1:1 adducts of N,N′-bis(benzophenone)-1,2-diiminoethane (bz2en) with copper(I) chloride, bromide and iodide, [Cu(bz2en)2][CuX2] (X = Cl, Br, and I), have been synthesized and the structures of the solid bromide and iodide adducts were determined by X-ray crystallography from single-crystal data. The

  11. Anionic halide···alcohol clusters in the solid state.

    Science.gov (United States)

    Gushchin, Pavel V; Kuznetsov, Maxim L; Haukka, Matti; Kukushkin, Vadim Yu

    2014-10-09

    The cationic (1,3,5-triazapentadiene)Pt(II) complexes [1](Cl)2, [2](Cl)2, [3](Br)2, and [4](Cl)2, were crystallized from ROH-containing systems (R = Me, Et) providing alcohol solvates studied by X-ray diffraction. In the crystal structures of [1-4][(Hal)2(ROH)2] (R = Me, Et), the Hal(-) ion interacts with two or three cations [1-4](2+) by means of two or three or four contacts thus uniting stacked arrays of complexes into the layers. The solvated MeOH or EtOH molecules occupy vacant space, giving contacts with [1-4](2+), and connects to the Hal(-) ion through a hydrogen bridge via the H(1O)O(1S) H atom forming, by means of the Hal(-)···HOR (Hal = Cl, Br) contact, the halide-alcohol cluster. Properties of the Cl(-)···HO(Me) H-bond in [1][(Cl)2(MeOH)2] were analyzed using theoretical DFT methods.

  12. Chemical effects of alkali atoms on critical temperature in superconducting alkali-doped fullerides

    Science.gov (United States)

    Hetfleisch, F.; Gunnarsson, O.; Srama, R.; Han, J. E.; Stepper, M.; Roeser, H.-P.; Bohr, A.; Lopez, J. S.; Mashmool, M.; Roth, S.

    2018-03-01

    Alkali metal doped fullerides (A3C60) are superconductors with critical temperatures, Tc, extending up to 38 K. Tc is known to depend strongly on the lattice parameter a, which can be adjusted by physical or chemical pressure. In the latter case an alkali atom is replaced by a different sized one, which changes a. We have collected an extensive data base of experimental data for Tc from very early up to recent measurements. We disentangle alkali atom chemical effects on Tc, beyond the well-known consequences of changing a. It is found that Tc, for a fixed a, is typically increased as smaller alkali atoms are replaced by larger ones, except for very large a. Possible reasons for these results are discussed. Although smaller in size than the lattice parameter contribution, the chemical effect is not negligible and should be considered in future physical model developments.

  13. Alkali resistant optical coatings for alkali lasers and methods of production thereof

    Science.gov (United States)

    Soules, Thomas F; Beach, Raymond J; Mitchell, Scott C

    2014-11-18

    In one embodiment, a multilayer dielectric coating for use in an alkali laser includes two or more alternating layers of high and low refractive index materials, wherein an innermost layer includes a thicker, >500 nm, and dense, >97% of theoretical, layer of at least one of: alumina, zirconia, and hafnia for protecting subsequent layers of the two or more alternating layers of high and low index dielectric materials from alkali attack. In another embodiment, a method for forming an alkali resistant coating includes forming a first oxide material above a substrate and forming a second oxide material above the first oxide material to form a multilayer dielectric coating, wherein the second oxide material is on a side of the multilayer dielectric coating for contacting an alkali.

  14. 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.

  15. High effective silica fume alkali activator

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Growing demands on the engineering properties of cement based materials and the urgency to decrease unsuitable ecologic impact of Portland cement manufacturing represent significant motivation for the development of new cement corresponding to these aspects. One category represents prospective alkali.

  16. High effective silica fume alkali activator

    Indian Academy of Sciences (India)

    Unknown

    Development of compressive strength of mortars depending on the alkali activator used and the composition of the binder and the time of hardening. 1. Slag + NaOH; 2. Silica fume activator + slag; 3. Portland cement + water; 4. 70% Port- land cement + 30% slag + water glass; 5. 30% Portland cement. + 70% slag + water; 6.

  17. Bioactivity of NANOZR Induced by Alkali Treatment

    Directory of Open Access Journals (Sweden)

    Mariko Nishizaki

    2017-04-01

    Full Text Available In recent years, zirconia has been a recognized implant material in clinical dentistry. In the present study, we investigated the performance of an alkali-modified ceria-stabilized tetragonal ZrO2 polycrystalline ceramic-based nanostructured zirconia/alumina composite (NANOZR implant by assessing surface morphology and composition, wettability, bovine serum albumin adsorption rate, rat bone marrow (RBM cell attachment, and capacity for inducing bone differentiation. NANOZR surfaces without and with alkali treatment served as the control and test groups, respectively. RBM cells were seeded in a microplate with the implant and cultured in osteogenic differentiation medium, and their differentiation was evaluated by measuring alkaline phosphatase (ALP activity, osteocalcin (OCN production, calcium deposition, and osteogenic gene expression. The alkali-treated NANOZR surface increased ALP activity, OCN production, calcium deposition, and osteogenesis-related gene expression in attached RBM cells. These data suggest that alkali treatment enhances the osteogenesis-inducing capacity of NANOZR implants and may therefore improve their biointegration into alveolar bone.

  18. High effective silica fume alkali activator

    Indian Academy of Sciences (India)

    Growing demands on the engineering properties of cement based materials and the urgency to decrease unsuitable ecologic impact of Portland cement manufacturing represent significant motivation for the development of new cement corresponding to these aspects. One category represents prospective alkali activated ...

  19. Alkali slagging problems with biomass fuels

    Energy Technology Data Exchange (ETDEWEB)

    Miles, T.R.; Miles, T.R. Jr.; Baxter, L.L.; Jenkins, B.M.; Oden, L.L.

    1993-12-31

    Biomass fueled power boilers are unable to burn more than minor percentages of annually generated agricultural fuels. Determining the mechanisms of deposit formation, and developing means of increasing the proportion of these annual biofuels to be fired are the aims of the ongoing Alkali Deposit Investigation sponsored by DOE/NREL with matching funds from industry sponsors, combining Science, Engineering and Industry.

  20. Corrosion and compatibility in liquid alkali metals

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

    The literature dealing with liquid alkali metal corrosion of vanadium and its alloys is reviewed in the following subsections. Attention is given to both lithium and sodium data. Preceding this review, a brief outline of the current state of understanding of liquid metal corrosion mechanisms is provided

  1. Terahertz radiation in alkali vapor plasmas

    International Nuclear Information System (INIS)

    Sun, Xuan; Zhang, X.-C.

    2014-01-01

    By taking advantage of low ionization potentials of alkali atoms, we demonstrate terahertz wave generation from cesium and rubidium vapor plasmas with an amplitude nearly one order of magnitude larger than that from nitrogen gas at low pressure (0.02–0.5 Torr). The observed phenomena are explained by the numerical modeling based upon electron tunneling ionization

  2. Alternative alkali resistant deNOx catalysts

    DEFF Research Database (Denmark)

    Putluru, Siva Sankar Reddy; Kristensen, Steffen Buus; Due-Hansen, Johannes

    2012-01-01

    Alternative alkali resistant deNOx catalysts were prepared using three different supports ZrO2, TiO2 and Mordenite zeolite. The majority of the catalysts were prepared by incipient wetness impregnation of a commercial support, with vanadium, copper or iron precursor, one catalyst was prepared...

  3. Structural and energetic characteristics of alkali metal hexachlorouranates (5)

    International Nuclear Information System (INIS)

    Kudryashov, V.L.; Suglobova, I.G.; Chirkst, D.Eh.

    1978-01-01

    Structure types and lattice parameters of alkali metal hexachlorouranates (5) have been determined by indicating the X-ray diffraction patterns of polycrystals. α-NaVCl 6 has a cubic structure of the Csub(s)PFsub(6) type; β-NaVCl 6 -trigonal lattice of the LiSbF 6 type; KVCl 6 and RbVCl 6 crystallize in the RbPaF 6 structure type; CsVCl 6 is isomorphous to CsPF 6 . Enthalpy values of hexachlorouranates (5) dissolution in 0.5% FeCl 3 solution and in 2% HCl have been measured and the standard enthalpy values of their formation have been calculated. The energies of crystal lattices and of the uranium-uranium-chlorine bonds have been calculated. When uranium coordination number is 6 the energy of the uranium-chlorine bond is 99.6+-0.5; when this number is 8 the energy equals 101.9+-0.5 kcal/mol

  4. Structural Diversity in Alkali Metal and Alkali Metal Magnesiate Chemistry of the Bulky 2,6-Diisopropyl-N-(trimethylsilyl)anilino Ligand.

    Science.gov (United States)

    Fuentes, M Ángeles; Zabala, Andoni; Kennedy, Alan R; Mulvey, Robert E

    2016-10-10

    Bulky amido ligands are precious in s-block chemistry, since they can implant complementary strong basic and weak nucleophilic properties within compounds. Recent work has shown the pivotal importance of the base structure with enhancement of basicity and extraordinary regioselectivities possible for cyclic alkali metal magnesiates containing mixed n-butyl/amido ligand sets. This work advances alkali metal and alkali metal magnesiate chemistry of the bulky arylsilyl amido ligand [N(SiMe 3 )(Dipp)] - (Dipp=2,6-iPr 2 -C 6 H 3 ). Infinite chain structures of the parent sodium and potassium amides are disclosed, adding to the few known crystallographically characterised unsolvated s-block metal amides. Solvation by N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA) or N,N,N',N'-tetramethylethylenediamine (TMEDA) gives molecular variants of the lithium and sodium amides; whereas for potassium, PMDETA gives a molecular structure, TMEDA affords a novel, hemi-solvated infinite chain. Crystal structures of the first magnesiate examples of this amide in [MMg{N(SiMe 3 )(Dipp)} 2 (μ-nBu)] ∞ (M=Na or K) are also revealed, though these breakdown to their homometallic components in donor solvents as revealed through NMR and DOSY studies. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  5. 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

  6. Halide Re-Shelled Quantum Dot Inks for Infrared Photovoltaics.

    Science.gov (United States)

    Fan, James Z; Liu, Mengxia; Voznyy, Oleksandr; Sun, Bin; Levina, Larissa; Quintero-Bermudez, Rafael; Liu, Min; Ouellette, Olivier; García de Arquer, F Pelayo; Hoogland, Sjoerd; Sargent, Edward H

    2017-11-01

    Colloidal quantum dots are promising materials for tandem solar cells that complement silicon and perovskites. These devices are fabricated from solution phase; however, existing methods for making infrared-bandgap CQD inks suffer agglomeration and fusion during solution exchange. Here we develop a ligand exchange that provides robust surface protection and thereby avoids aggregation. First, we exchanged long oleic acid ligands to a mixed system comprising medium-chain ammonium and anionic chloride ligands; we then reshelled the surface using short halides and pseudohalide ligands that enabled transfer to a polar solvent. Absorbance and photoluminescence measurements reveal the retention of exciton sharpness, whereas X-ray photoelectron spectroscopy indicates halide capping. The best power conversion efficiency of these devices is 0.76 power points after filtering through silicon, which is 1.9× higher than previous single-step solution-processed IR-CQD solar cells.

  7. Laser Direct Write Synthesis of Lead Halide Perovskites.

    Science.gov (United States)

    Chou, Stanley S; Swartzentruber, Brian S; Janish, Matthew T; Meyer, Kristin C; Biedermann, Laura B; Okur, Serdal; Burckel, D Bruce; Carter, C Barry; Kaehr, Bryan

    2016-10-06

    Lead halide perovskites are increasingly considered for applications beyond photovoltaics, for example, light emission and detection, where an ability to pattern and prototype microscale geometries can facilitate the incorporation of this class of materials into devices. Here we demonstrate laser direct write of lead halide perovskites, a remarkably simple procedure that takes advantage of the inverse dependence between perovskite solubility and temperature by using a laser to induce localized heating of an absorbing substrate. We demonstrate arbitrary pattern formation of crystalline CH 3 NH 3 PbBr 3 on a range of substrates and fabricate and characterize a microscale photodetector using this approach. This direct write methodology provides a path forward for the prototyping and production of perovskite-based devices.

  8. Phase holograms formed by silver halide (sensitized) gelatin processing.

    Science.gov (United States)

    Graver, W R; Gladden, J W; Eastes, J W

    1980-05-01

    A novel recording process for the formation of phase volume holograms at up to 1500 cycles/mm is described. The term silver halide (sensitized) gelatin or SHG denotes an all-gelatin phase material, which records the initial image information through photon absorption by the silver halide. Our process uses a reversal bleach that dissolves the developed silver image and cross-links the gelatin molecules in the vicinity of the developed image. Experiments have determined the stored image as refractive-index differences within the remaining gelatin. The major attributes of SHG holograms are (1) panchromatic response, (2) 100:1 greater light sensitivity than dichromate (sensitized) gelatin, and (3) elimination of darkening (printout) effects.

  9. Influence of the gypsum dehydration temperature and alkali additives on the properties of anhydrite cement

    Directory of Open Access Journals (Sweden)

    Leskeviciene V.

    2010-01-01

    Full Text Available While dehydrating gypsum with additives at the temperatures of 800°C and 900°C the influence of alkali additives on both the crystalline structure of anhydrite and properties of anhydrite binder was investigated. The industrial and household wastes including other lowcost materials were used as additives. Having heated them with gypsum the anhydrite with alkali activation properties was obtained. The properties of such substances were evaluated using the methods of chemical, diffractive X-ray scanning and scanning electron microscopy (SEM analyses. Some additives, e.g. 5 % ground glass waste, were found to increase crystal agglomerate formation of anhydrite binder, accelerate the hydration process of anhydrite and double the compressive strength of hydrated samples compared to samples without additives.

  10. The mechanism for diamagnetic products formation under the radiolysis of alkali nitrates

    Energy Technology Data Exchange (ETDEWEB)

    Anan' ev, Vladimir [Department of Analytical Chemistry, Kemerovo State University, Krasnaya Street, 6, Kemerovo 650043 (Russian Federation)], E-mail: eprlab@kemsu.ru

    2009-06-15

    Based on optical measurements, the kinetics of peroxynitrite accumulation in alkali nitrate crystals {gamma}-irradiated at 310 K has been investigated. The initial radiation chemical yields were calculated to be 0.60{+-}0.05, 0.14{+-}0.03, 0.35{+-}0.03, 0.65{+-}0.04 (100 eV){sup -1} for NaNO{sub 3}, KNO{sub 3}, RbNO{sub 3}, and CsNO{sub 3}, respectively. The mechanism for the radiolysis of crystalline alkali nitrates is interpreted in terms of formation of the peroxynitrite ions and the nitrite ions from high-energy singlet and triplet excited states of the nitrate ions, respectively. These states can be generating under the radiationless transitions of electrons from the cation conductivity band into the anion conductivity band accompanied by the Auger excitation of the nitrate ions.

  11. Influence of the Print Run on Silver Halide Printing Plates

    Directory of Open Access Journals (Sweden)

    Tomislav Cigula

    2010-09-01

    Full Text Available The most common printing technique today is lithography. The difference between printing and nonprinting areason a printing plate is accomplished by opposite physical and chemical properties of those areas (MacPhee, 1998.The printing areas are made of photoactive layer that attracts oil and chemical substances with oil solvent – printinginks. The nonprinting areas are made of aluminium-oxide which attracts water based substances – the fountainsolution.There are many of various types of photoactive layer which are used for production of offset printing plates, amongothers is silver halide layer. The usage of the silver halide technology in the graphic reproduction is not a novelty.The filmmaking phase is based on the usage of the silver halide as the photographically active ingredient, for instance,AgBr (silver bromide. The new, digital plate making technology (Computer to Plate, CtP eliminates thefilmmaking phase and therefore enables control of the printing plate’s exposure made by computer. CtP technologyeliminates the filmmaking phase, but it also results with the reduction of needed material quantities and requiredtime for the production (Limburg, 1994; Seydel, 1996.In this paper the basis of the graphic reproduction by using the silver halide digital printing plates was described.The changes of the AgX copying layer and the surface of the aluminium base in the printing process have beenobserved. The surface characteristics were determined by measuring the relevant surface roughness parameters. Inaddition, measurements of coverage values on the prints, detailed at smaller print run, were conducted.Results showed that surface changes on the printing plate are changing during printing process and that thesechanges influence transfer of the printing ink on the printing substrate. These measurements proved to be of greatinterest in the graphic reproduction as they enable us to determine consistency of the printing plates during theprinting

  12. 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.

  13. 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

  14. Lanthanide and actinide complex formation in Halide melts

    Energy Technology Data Exchange (ETDEWEB)

    Barbanel, Yu.A.; Klokman, V.R.; Kotlin, V.P.; Kolin, V.V.

    1980-01-01

    High-temperature absorption spectra have been measured for the following systems: (1) Nd (III), Am (III), Np (IV), Pu (IV), Np (V) and Pu (VI) in molten alkali chlorides; (2) Pu (III) and U (IV) in molten alkali chloride - alkali fluoride mixtures; (3) NdCl/sub 3/, Gd(Am)Cl/sub 3/, AmCl/sub 3/, Cs/sub 2/NaNdCl/sub 6/ and Cs/sub 2/NaAmCl/sub 6/ in molten and solid states. Predominant complex species have been identified, and regularities of coordination number and f-covalency variation have been studied depending on melt composition and temperature. 23 references, 15 figures.

  15. Effects of halides on plasmid-mediated silver resistance in Escherichia coli.

    Science.gov (United States)

    Gupta, A; Maynes, M; Silver, S

    1998-12-01

    Silver resistance of sensitive Escherichia coli J53 and resistance plasmid-containing J53(pMG101) was affected by halides in the growth medium. The effects of halides on Ag+ resistance were measured with AgNO3 and silver sulfadiazine, both on agar and in liquid. Low concentrations of chloride made the differences in MICs between sensitive and resistant strains larger. High concentrations of halides increased the sensitivities of both strains to Ag+.

  16. Thermodynamic properties of alkali borosilicate gasses and metaborates

    International Nuclear Information System (INIS)

    Asano, Mitsuru

    1992-01-01

    Borosilicate glasses are the proposed solidifying material for storing high level radioactive wastes in deep underground strata. Those have low melting point, and can contain relatively large amount of high level radioactive wastes. When borosilicate glasses are used for this purpose, they must be sufficiently stable and highly reliable in the vitrification process, engineered storage and the disposal in deep underground strata. The main vaporizing components from borosilicate glasses are alkali elements and boron. In this report, as for the vaporizing behavior of alkali borosilicate glasses, the research on thermodynamic standpoint carried out by the authors is explained, and the thermodynamic properties of alkali metaborates of monomer and dimer which are the main evaporation gases are reported. The evaporation and the activity of alkali borosilicate glasses, the thermodynamic properties of alkali borosilicate glasses, gaseous alkali metaborates and alkali metaborate system solid solution and so on are described. (K.I.)

  17. Nanostructured Lanthanum Halides and CeBr3 for Nuclear Radiation and Detection

    International Nuclear Information System (INIS)

    Guss, Paul; Mukhopadhyay, Sanjoy; Guise, Ron; Yuan, Ding

    2010-01-01

    Scintillator materials are used to detect, and in some cases identify, gamma rays. Higher performance scintillators are expensive, hard to manufacture, fragile, and sometimes require liquid nitrogen or cooling engines. But whereas lower-quality scintillators are cheap, easy to manufacture, and more rugged, their performance is lower. At issue: can the desirable qualities of high-and low-performance scintillators be combined to achieve better performance at lower cost? Preliminary experiments show that a LaF 3 :Ce oleic acid-based nanocomposite exhibits a photopeak when exposed to 137 Cs source gamma-radiation. The chemical synthesis of the cerium-doped lanthanum halide nanoparticles are scalable and large quantities of material can be produced at a time, unlike typical crystal growth processes such as the Bridgeman process. Using a polymer composite (Figure 1), produced by LANL, initial measurements of the unloaded and 8% LaF 3 :Ce-loaded sample have been made using 137 Cs sources. Figure 2 shows an energy spectrum acquired for CeF 3 . The lighter plot is the measured polymer-only spectrum and the black plot is the spectrum from the nanocomposite scintillator. As the development of this material continues, the energy resolution is expected to improve and the photopeak-to-Compton ratio will become greater at higher loadings. These measurements show the expected Compton edge in the polymer-only sample, and the Compton edge and photo-peak expected in the nanophosphor composites that LANL has produced. Using a porous VYCORR with CdSe/ZnS core shell quantum dots, Letant has demonstrated that he has obtained signatures of the 241Am photopeak with energy resolution as good at NaI (Figure 3). We begin with the fact that CeBr 3 crystals do not have a self-activity component as strong as the lanthanum halides. The radioactive 0.090% 138 La component of lanthanum leads to significant self-activity, which will be a problem for very large detector volumes. Yet a significant

  18. Na-K-Interdiffusion in Alkali Feldspars

    Science.gov (United States)

    Schaeffer, A.-K.; Petrishcheva, E.; Rhede, D.; Abart, R.

    2012-04-01

    Exchange experiments between crystallographically oriented plates of gem-quality alkali feldspar (XOr 0.85) with NaCl/KCl melts have been conducted at 850° and 920° C. The melt composition was varied systematically between XKCl 0.6 and 1 to induce a shift of the feldspar composition towards more Na-rich as well as K-rich compositions (XOr 0.74 to 1). We applied 40-times molar excess of cations in the melt to ensure constant concentration boundary conditions for cation exchange. Depending on the direction of the composition shift diffusion profiles with different geometries develop. After a shift towards more K-rich compositions the diffusion profile shows two plateaus representing the unexchanged core and the exchanged rim in equilibrium with the melt, respectively. The exchange front between the two plateaus has an inflection point and propagates through the crystal with t1/2. Its width depends on the composition difference between the exchanged and unexchanged domains of the grain as well as crystallographic direction. The profiles that develop during a shift towards more Na-rich compositions lack an inflection point. If XOr is shifted by more than 10 mole-% crack systems begin to develop due to composition strain associated with the substitution of K+ by the smaller Na+ion. While the propagation rate of the fronts is roughly equal in all crystallographic directions, the profiles measured in the direction normal to (001) are always narrower than those normal to (010). This indicates a marked anisotropy in interdiffusion which appears fastest in the direction perpendicular to (001), i.e. c*. The observed geometry of the diffusion fronts can be explained by a composition dependence of the interdiffusion coefficient. This dependence was first described by Christoffersen et al. (1983) but these authors used a different experimental setup and only had reliable data for intermediate compositions. From our data we could extract the interdiffusion coefficient for high

  19. Effect of alkali lignins with different molecular weights from alkali pretreated rice straw hydrolyzate on enzymatic hydrolysis.

    Science.gov (United States)

    Li, Yun; Qi, Benkun; Luo, Jianquan; Wan, Yinhua

    2016-01-01

    This study investigated the effect of alkali lignins with different molecular weights on enzymatic hydrolysis of lignocellulose. Different alkali lignins fractions, which were obtained from cascade ultrafiltration, were added into the dilute acid pretreated (DAP) and alkali pretreated (AP) rice straws respectively during enzymatic hydrolysis. The results showed that the addition of alkali lignins enhanced the hydrolysis and the enhancement for hydrolysis increased with increasing molecular weights of alkali lignins, with maximum enhancement being 28.69% for DAP and 20.05% for AP, respectively. The enhancement was partly attributed to the improved cellulase activity, and filter paper activity increased by 18.03% when adding lignin with highest molecular weight. It was found that the enhancement of enzymatic hydrolysis was correlated with the adsorption affinity of cellulase on alkali lignins, and the difference in surface charge and hydrophobicity of alkali lignins were responsible for the difference in affinity between cellulase and lignins. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Infrared and Raman spectroscopic studies on alkali borate glasses: evidence of mixed alkali effect.

    Science.gov (United States)

    Padmaja, G; Kistaiah, P

    2009-03-19

    A lithium-potassium-borate glass system containing manganese and iron cations has been thoroughly investigated in order to obtain information about the mixed alkali effect and the structural role of both the manganese and iron in such glass hosts. Mixed alkali borate glasses of the (30 - x)Li(2)O - xK(2)O - 10CdO/ZnO - 59B(2)O(3) (x = 0, 10, 15, 20, and 30) doped with 1MnO(2)/1Fe(2)O(3) system were prepared by a melt quench technique. The amorphous phase of the prepared glass samples was confirmed from their X-ray diffraction. The spectroscopic properties of glass samples were studied using infrared (IR) and Raman spectroscopic techniques. The density of all the prepared glasses was measured using Archimedes principle. Molar volumes were estimated from the density data. IR spectra of these glasses revealed a dramatic variation of three- and four-coordinated boron structures as a function of mixed alkali concentration. The vibrations due to Li-O, K-O, and MnO(4)/FeO(4) arrangements are consistent in all the compositions and show a nonlinear variation in the intensity with alkali content. Raman spectra of different alkali combinations with CdO and ZnO present drastic changes in the intensity of various Raman bands. The observation of disappearance and reappearance of IR and Raman bands as a function of various alkali concentrations is an important result pertaining to the mixed alkali effect in borate glasses. Acting as complementary spectroscopic techniques, both types of measurements, IR and Raman, revealed that the network structure of the studied glasses is mainly based on BO(3) and BO(4) units placed in different structural groups, the BO(3) units being dominant. The measured IR and Raman spectra of different glasses are used to clarify the optical properties of the present glasses correlating them with their structure and composition.

  1. 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.

  2. Accurate and efficient band gap predictions of metal halide perovskites using the DFT-1/2 method: GW accuracy with DFT expense.

    Science.gov (United States)

    Tao, Shu Xia; Cao, Xi; Bobbert, Peter A

    2017-10-30

    The outstanding optoelectronics and photovoltaic properties of metal halide perovskites, including high carrier motilities, low carrier recombination rates, and the tunable spectral absorption range are attributed to the unique electronic properties of these materials. While DFT provides reliable structures and stabilities of perovskites, it performs poorly in electronic structure prediction. The relativistic GW approximation has been demonstrated to be able to capture electronic structure accurately, but at an extremely high computational cost. Here we report efficient and accurate band gap calculations of halide metal perovskites by using the approximate quasiparticle DFT-1/2 method. Using AMX 3 (A = CH 3 NH 3 , CH 2 NHCH 2 , Cs; M = Pb, Sn, X = I, Br, Cl) as demonstration, the influence of the crystal structure (cubic, tetragonal or orthorhombic), variation of ions (different A, M and X) and relativistic effects on the electronic structure are systematically studied and compared with experimental results. Our results show that the DFT-1/2 method yields accurate band gaps with the precision of the GW method with no more computational cost than standard DFT. This opens the possibility of accurate electronic structure prediction of sophisticated halide perovskite structures and new materials design for lead-free materials.

  3. Effect of alkali ions (Na+, K+, Cs+) on reaction mechanism of CZTS nano-particles synthesis

    Science.gov (United States)

    Kumar, Suresh; Altosaar, Mare; Grossberg, Maarja; Mikli, Valdek

    2018-04-01

    The control of morphology, elemental composition and phase composition of Cu2ZnSnS4 (CZTS) nano-crystals depends on the control of complex formation and surface stabilization of nano-particles in solution-based synthesis in oleylamine. At temperatures ≥280 °C, the control of nano-crystal's morphology and homogenous growth is difficult because of fast poly-nuclear growth occurring at higher temperatures. In the present work the effect of oleylamine complex formation with different alkali ions (Na+, K+ and Cs+) on nano-crystals growth at synthesis temperature of 280 °C was studied. It was found that nano-powders synthesized in the presence of Na+ and K+ ions showed the formation of crystals of different sizes - small nano-particles (18 nm-30 nm), large aggregated crystals (few nm to 1 μm) and large single crystals (1 μm - 4 μm). The presence of Cs+ ions in the nano-powder synthesis in oleylamine-metal precursor-CsOH solution promoted growth of nano-crystals of homogenous size. It is proposed that the formed oleylamine-Cs complexes a) enhance the formation and stabilization of oleylamine-metal (Cu, Zn and Sn) complexes before the injection of sulphur precursor into the oleylamine-metal precursor solution and b) after addition of sulphur stabilize the fast nucleated nano-particles and promote diffusion limited growth.

  4. NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH{sub 2}){sub 3}]CdI{sub 3} and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Gesing, Thorsten M.; Lork, Enno [Bremen Univ. (Germany). MAPEX Center for Material and Processes; Terao, Hiromitsu [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Ishihara, Hideta [Saga Univ. (Japan). Faculty of Culture and Education

    2016-05-01

    The crystal structures of [C(NH{sub 2}){sub 3}]CdI{sub 3} (1) and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5} (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2{sub 1}/c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI{sub 4}] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr{sub 6}] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three {sup 127}I (m = ±1/2 <-> m = ±3/2), five {sup 81}Br, and three {sup 35}Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd{sub 5}I{sub 16}]{sup 6-} for 1 and [Cd{sub 3}Br{sub 16}]{sup 10-} for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

  5. Structural and electronic properties of alkali-doped single-walled carbon nanotubes

    Science.gov (United States)

    Nemes, Norbert Marcel

    In this thesis, we study the properties of alkali doped single walled carbon nanotubes (SWNT). SWNT are crystallized into ropes, which display the one-dimensional electronic properties of the constituent nanotubes. Using x-ray diffraction, we show that the alkali atoms invade the channels in the triangular rope lattice and determine the structure of the doped ropes. We show that the diffraction profile of the doped SWNT is best described by a model where the alkali ions surround each tube in an ordered fashion by dilating the channels. Alkali doped SWNT exhibit colors similar to alkali doped graphite (GIC). We study their electronic structure with IR reflectivity; the alkali dopants donate their valence electron to the SWNT host, so the free carrier concentration increases, shifting the Drude-edge into the visible spectral range. This is accompanied by a large shift of the Fermi-level, so the characteristic transitions between the 1D van Hove singularities of the undoped SWNT diminish. The presence of the alkali ions around the SWNT breaks the translational symmetry and increases coupling between parallel tubes within ropes. We find that the momentum relaxation time shortens as the ropes become more three dimensional. We also find that alkali disorder contributes to the scattering. In p-type, HNO3 doped SWNT, the charge transfer is smaller; only the first subband of the semiconducting tubes gets depleted, shown by the disappearance of the first van Hove transition. This indicates a Fermi-level shift of ˜0.3 eV. The reflectivity has structure at low energy, which moves the Drude-peak to a sharp, intense peak at 0.1 eV in the optical conductivity, reminiscent of quasi-1D TTF-TCNQ. The DC conductivity also increases ˜80-fold during doping. The low temperature divergence of undoped SWNT disappears in alkali doped SWNT. However, we find that oxygen can modulate the low-T divergence. After outgassing, the divergence becomes ˜10 times stronger. We interpret the low

  6. First diffraction peak in alkali metaphosphate glasses

    Science.gov (United States)

    Beaufils, S.; Bionducci, M.; Ecolivet, C.; Marchand, R.; Le Sauze, A.

    2000-11-01

    The structure factor of the alkali metaphosphate glasses LiPO 3 and Na 0.5Li 0.5PO 3 has been measured at 300 K for both systems and up to 800 K for the latter. The first diffraction peak of alkali metaphosphate glasses merges at lower Q (around 1.1 Å -1) than in other covalent glasses, with the highest intensity for Li-containing glasses. These points are discussed following the hypothesis of voids ordering in the structure and contrasts effects due to the negative neutron Li scattering length. The intensity of the prepeak is significantly growing with temperature, in case of Na 0.5Li 0.5PO 3, in contrast to the other peaks of the structure factor. This point is discussed in relation with literature data from flow birefringence indicating structural changes in these glassy systems.

  7. Pyrolysis characteristic of kenaf studied with separated tissues, alkali pulp, and alkali li

    Directory of Open Access Journals (Sweden)

    Yasuo Kojima

    2015-12-01

    Full Text Available To estimate the potential of kenaf as a new biomass source, analytical pyrolysis was performed using various kenaf tissues, i.e., alkali lignin and alkali pulp. The distribution of the pyrolysis products from the whole kenaf was similar to that obtained from hardwood, with syringol, 4-vinylsyringol, guaiacol, and 4-vinylguaiacol as the major products. The phenols content in the pyrolysate from the kenaf core was higher than that from the kenaf cuticle, reflecting the higher lignin content of the kenaf core. The ratios of the syringyl and guaiacyl compounds in the pyrolysates from the core and cuticle samples were 2.79 and 6.83, respectively. Levoglucosan was the major pyrolysis product obtained from the kenaf alkali pulp, although glycol aldehyde and acetol were also produced in high yields, as previously observed for other cellulosic materials. Moreover, the pathways for the formation of the major pyrolysis products from alkali lignin and alkali pulp were also described, and new pyrolysis pathways for carbohydrates have been proposed herein. The end groups of carbohydrates bearing hemiacetal groups were subjected to ring opening and then they underwent further reactions, including further thermal degradation or ring reclosing. Variation of the ring-closing position resulted in the production of different compounds, such as furans, furanones, and cyclopentenones.

  8. MgAl2O4 spinel refractory as containment liner for high-temperature alkali salt containing environments

    Science.gov (United States)

    Peascoe-Meisner, Roberta A [Knoxville, TN; Keiser, James R [Oak Ridge, TN; Hemric, James G [Knoxville, TN; Hubbard, Camden R [Oak Ridge, TN; Gorog, J Peter [Kent, WA; Gupta, Amul [Jamestown, NY

    2008-10-21

    A method includes containing a high-temperature alkali salt containing environment using a refractory containment liner containing MgAl.sub.2O.sub.4 spinel. A method, includes forming a refractory brick containing MgAl.sub.2O.sub.4 spinel having an exterior chill zone defined by substantially columnar crystallization and an interior zone defined by substantially equiaxed crystallization; and removing at least a portion of the exterior chill zone from the refractory brick containing MgAl.sub.2O.sub.4 spinel by scalping the refractory brick containing MgAl.sub.2O.sub.4 spinel to define at least one outer surface having an area of substantially equiaxed crystallization. A product of manufacture includes a refractory brick containing MgAl.sub.2O.sub.4 spinel including an interior zone defined by substantially equiaxed crystallization; and at least one outer surface having an area of substantially equiaxed crystallization.

  9. Seasonal variations in halides in marine brown algae from Porbandar and Okha coasts (NW coast of India)

    Digital Repository Service at National Institute of Oceanography (India)

    Rao, Ch.K.; Singbal, S.Y

    Seasonal variation of halides and their ratios were estimated in three brown algae, namely Cystoseira indica, Sargassum tenerrimum) and S. johnstonii from Porbandar and Okha Coasts. Halides were found to be higher in early stages of growth. The Br...

  10. Alteration of alkali reactive aggregates autoclaved in different alkali solutions and application to alkali-aggregate reaction in concrete (II) expansion and microstructure of concrete microbar

    International Nuclear Information System (INIS)

    Lu Duyou; Mei Laibao; Xu Zhongzi; Tang Mingshu; Mo Xiangyin; Fournier, Benoit

    2006-01-01

    The effect of the type of alkalis on the expansion behavior of concrete microbars containing typical aggregate with alkali-silica reactivity and alkali-carbonate reactivity was studied. The results verified that: (1) at the same molar concentration, sodium has the strongest contribution to expansion due to both ASR and ACR, followed by potassium and lithium; (2) sufficient LiOH can completely suppress expansion due to ASR whereas it can induce expansion due to ACR. It is possible to use the duplex effect of LiOH on ASR and ACR to clarify the ACR contribution when ASR and ACR may coexist. It has been shown that a small amount of dolomite in the fine-grained siliceous Spratt limestone, which has always been used as a reference aggregate for high alkali-silica reactivity, might dedolomitize in alkaline environment and contribute to the expansion. That is to say, Spratt limestone may exhibit both alkali-silica and alkali-carbonate reactivity, although alkali-silica reactivity is predominant. Microstructural study suggested that the mechanism in which lithium controls ASR expansion is mainly due to the favorable formation of lithium-containing less-expansive product around aggregate particles and the protection of the reactive aggregate from further attack by alkalis by the lithium-containing product layer

  11. Alkali adsorption on Ni(1 1 1) and their coadsorption with CO and O

    International Nuclear Information System (INIS)

    Politano, A.; Formoso, V.; Chiarello, G.

    2008-01-01

    The adsorption of alkalis (Na, K) on Ni(1 1 1) and their coadsorption with CO and O were studied by high-resolution electron energy loss spectroscopy. Loss measurements of clean alkali adlayers provided the expected behaviour of the alkali-substrate vibration energy as a function of the alkali coverage. This result was achieved by eliminating any trace of CO contamination from the alkali adlayer. As a matter of fact, a significant softening of the alkali-Ni vibration energy was revealed in the alkali + CO coadsorbed phase. Moreover, alkali coadsorption with oxygen caused a weakening of the O-Ni bond and a strengthening of the alkali-Ni bond

  12. Alkali Influence on Synthesis of Solid Electrolyte Based on Alkali Nitrate-Alumina

    International Nuclear Information System (INIS)

    Yustinus Purwamargapratala; Purnama, S.; Purwanto, P.

    2008-01-01

    Research of solid electrolyte based on alumina with addition of alkali materials of barium nitrate, calcium nitrate, sodium nitrate and lithium nitrate has been done. Aluminium hydroxide and alkali nitrate were mixed in mole ratio of 1 : 1 in water media and pyrolyzed at 300 o C for 1 hour Pyrolysis result were then mixed with alumina in mole ratio of 1 : 1, compacted and heated at 600 o C for 3 hours. To characterize the sample, XRD (X-Ray Diffractometers) and LCR meter (impedance, capacitance, and resistance) were used for analysis the phase and conductivity properties. The result showed formation of alkali-aluminate in which Li-base have the highest room temperature conductivity of 3.1290 x 10 -5 S.cm -1 , while Ba-base have the lowest conductivity of 5.7266 x 10 -8 S.cm -1 . (author)

  13. 10 CFR 431.322 - Definitions concerning metal halide lamp ballasts and fixtures.

    Science.gov (United States)

    2010-01-01

    ... lamp, and the capacitor when the capacitor is provided, shall constitute a nominal system in accordance... designed to be operated with a metal halide lamp and a ballast for a metal halide lamp. Probe-start metal... discharge and then power to sustain the discharge through the glow-to-arc transition. Test Procedures ...

  14. 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

  15. 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.

  16. Method for the safe disposal of alkali metal

    Science.gov (United States)

    Johnson, Terry R.

    1977-01-01

    Alkali metals such as those employed in liquid metal coolant systems can be safely reacted to form hydroxides by first dissolving the alkali metal in relatively inert metals such as lead or bismuth. The alloy thus formed is contacted with a molten salt including the alkali metal hydroxide and possibly the alkali metal carbonate in the presence of oxygen. This oxidizes the alkali metal to an oxide which is soluble within the molten salt. The salt is separated and contacted with steam or steam-CO.sub.2 mixture to convert the alkali metal oxide to the hydroxide. These reactions can be conducted with minimal hydrogen evolution and with the heat of reaction distributed between the several reaction steps.

  17. Alkali depletion and ion-beam mixing in glasses

    International Nuclear Information System (INIS)

    Arnold, G.W.

    1983-01-01

    Ion-implantation-induced alkali depletion in simple alkali-silicate glasses (12M 2 O.88SiO 2 ) has been studied for implantations at room temperature and near 77K. Results are consistent with a mechanism for alkali removal, by heavy ion bombardment, based on radiation-enhanced migration and preferential removal of alkali from the outermost layers. Similar results were obtained for mixed-alkali glasses ((12-x)Cs 2 .O.xM 2 O.88SiO 2 ) where, in addition, a mixed-alkali effect may also be operative. Some preliminary experiments with ion implantation through thin Al films on SiO 2 glass and on a phosphate glass show that inter-diffusion takes place and suggest that this ion-mixing technique may be a useful method for altering the physical properties of glass surfaces

  18. Method for the safe disposal of alkali metal

    International Nuclear Information System (INIS)

    Johnson, T.R.

    1977-01-01

    Alkali metals such as those employed in liquid metal coolant systems can be safely reacted to form hydroxides by first dissolving the alkali metal in relatively inert metals such as lead or bismuth. The alloy thus formed is contacted with a molten salt including the alkali metal hydroxide and possibly the alkali metal carbonate in the presence of oxygen. This oxidizes the alkali metal to an oxide which is soluble within the molten salt. The salt is separated and contacted with steam or steam--CO 2 mixture to convert the alkali metal oxide to the hydroxide. These reactions can be conducted with minimal hydrogen evolution and with the heat of reaction distributed between the several reaction steps. 5 claims, 1 figure

  19. 10 CFR 431.324 - Uniform test method for the measurement of energy efficiency of metal halide ballasts.

    Science.gov (United States)

    2010-01-01

    ... energy efficiency of metal halide ballasts. (b) Testing and Calculations. [Reserved] Energy Conservation... efficiency of metal halide ballasts. 431.324 Section 431.324 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Metal Halide Lamp Ballasts and...

  20. Method for producing hydrocarbon fuels and fuel gas from heavy polynuclear hydrocarbons by the use of molten metal halide catalysts

    Science.gov (United States)

    Gorin, Everett

    1979-01-01

    In a process for hydrocracking heavy polynuclear carbonaceous feedstocks to produce lighter hydrocarbon fuels by contacting the heavy feedstocks with hydrogen in the presence of a molten metal halide catalyst in a hydrocracking zone, thereafter separating at least a major portion of the lighter hydrocarbon fuels from the spent molten metal halide and thereafter regenerating the spent molten metal halide by incinerating the spent molten metal halide by combustion of carbon and sulfur compounds in the spent molten metal halide in an incineration zone, the improvement comprising: (a) contacting the heavy feedstocks and hydrogen in the presence of the molten metal halide in the hydrocracking zone at reaction conditions effective to convert from about 60 to about 90 weight percent of the feedstock to lighter hydrocarbon fuels; (b) separating at least a major portion of the lighter hydrocarbon fuels from the spent molten metal halide; (c) contacting the spent molten metal halide with oxygen in a liquid phase gasification zone at a temperature and pressure sufficient to vaporize from about 25 to about 75 weight percent of the spent metal halide, the oxygen being introduced in an amount sufficient to remove from about 60 to about 90 weight percent of the carbon contained in the spent molten metal halide to produce a fuel gas and regenerated metal halide; and (d) incinerating the spent molten metal halide by combusting carbon and sulfur compounds contained therein.

  1. Transport phenomena of aluminium oxide in metal halide lamps

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, S; Markus, T [Institute for Energy Research, Forschungszentrum Juelich GmbH, D-52425 Juelich (Germany); Niemann, U [Philips GmbH, Research Laboratories, PO Box 500145, Aachen, D-52085 (Germany)], E-mail: s.fischer@fz-juelich.de

    2008-07-21

    A better understanding of the transport phenomena observed in metal halide lamps can be achieved using computer-based model calculations. The chemical transport of aluminium oxide in advanced high-pressure discharge vessels was calculated as a function of temperature and composition of the salt mixture relevant to the lamp. Below 1773 K chemical transport is the prevailing process; above this temperature the vaporization and condensation of the envelope material-aluminium oxide-become more important. The results of the calculations show that the amount of transported alumina increases linearly with the number of iteration cycles and exponentially with the temperature gradient.

  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. Effect of alkali ion on relaxation properties of binary alkali-borate glasses

    International Nuclear Information System (INIS)

    Lomovskoj, V.A.; Bartenev, G.M.

    1992-01-01

    Method of relaxation spectrometry were used to analyze the data on internal friction spectra of lithium, sodium, potassium and rubidium alkali-borate glasses in wide range of temperatures and frequencies. The nature of two relaxation processes was clarified: β m -process, related with mobility of alkaline metal cations, and α-process (vitrification), conditioned by system transformation from viscous-flow to vitreous state. It is shown that atomic-molecular mechanism of vitrification process changes when passing from vitreous B 2 O 3 to alkali-borate glasses

  6. Survival probability in small angle scattering of low energy alkali ions from alkali covered metal surfaces

    International Nuclear Information System (INIS)

    Neskovic, N.; Ciric, D.; Perovic, B.

    1982-01-01

    The survival probability in small angle scattering of low energy alkali ions from alkali covered metal surfaces is considered. The model is based on the momentum approximation. The projectiles are K + ions and the target is the (001)Ni+K surface. The incident energy is 100 eV and the incident angle 5 0 . The interaction potential of the projectile and the target consists of the Born-Mayer, the dipole and the image charge potentials. The transition probability function corresponds to the resonant electron transition to the 4s projectile energy level. (orig.)

  7. Physical and optical studies in mixed alkali borate glasses with three types of alkali ions

    International Nuclear Information System (INIS)

    Samee, M.A.; Awasthi, A.M.; Shripathi, T.; Bale, Shashidhar; Srinivasu, Ch.; Rahman, Syed

    2011-01-01

    Research highlights: → We report, for the first time, the mixed alkali effect in the (40-x)Li 2 O-xNa 2 O-10K 2 O-50B 2 O 3 glasses through optical properties, density and modulated DSC studies. → Optical band gap (E opt ) and Urbach energy (ΔE) have been evaluated. → The values of E opt and ΔE show non-linear behavior with compositional parameter showing the mixed alkali effect. → The glass stability S is observed to be less which may be important for the present glasses as promising material for non-optical applications. - Abstract: So far only a handful of publications have been concerned with the study of the mixed alkali effect in borate glasses containing three types of alkali ions. In the present work, the mixed alkali effect (MAE) has been investigated in the glass system (40-x)Li 2 O-xNa 2 O-10K 2 O-50B 2 O 3 . (0 ≤ x ≤ 40 mol%) through density and modulated DSC studies. The density and glass transition temperature of the present glasses varies non-linearly exhibiting mixed alkali effect. The glass stability is observed to be less which may be important for the present glasses as promising material for non-optical applications. We report, for the first time, the mixed alkali effect in the present glasses through optical properties. From the absorption edge studies, the values of indirect optical band gap (E opt ), direct optical band gap and Urbach energy (ΔE) have been evaluated. The values of E opt and ΔE show non-linear behavior with compositional parameter showing the mixed alkali effect. The average electronic polarizability of oxide ions α O 2- , optical basicity Λ, and Yamashita-Kurosawa's interaction parameter A have been examined to check the correlations among them and bonding character. Based on good correlation among electronic polarizability of oxide ions, optical basicity and interaction parameter, the present Li 2 O-Na 2 O-K 2 O-B 2 O 3 glasses are classified as normal ionic (basic) oxides.

  8. Alkali absorption and citrate excretion in calcium nephrolithiasis

    Science.gov (United States)

    Sakhaee, K.; Williams, R. H.; Oh, M. S.; Padalino, P.; Adams-Huet, B.; Whitson, P.; Pak, C. Y.

    1993-01-01

    The role of net gastrointestinal (GI) alkali absorption in the development of hypocitraturia was investigated. The net GI absorption of alkali was estimated from the difference between simple urinary cations (Ca, Mg, Na, and K) and anions (Cl and P). In 131 normal subjects, the 24 h urinary citrate was positively correlated with the net GI absorption of alkali (r = 0.49, p vegetables and fruits or a relative excess of animal proteins).

  9. Determination of the common and rare alkalies in mineral analysis

    Science.gov (United States)

    Wells, R.C.; Stevens, R.E.

    1934-01-01

    Methods are described which afford a determination of each member of the alkali group and are successful in dealing with the quantities of the rare alkalies found in rocks and minerals. The procedures are relatively rapid and based chiefly on the use of chloroplatinic acid, absolute alcohol and ether, and ammonium sulfate. The percentages of all the alkalies found in a number of minerals are given.

  10. Organic-inorganic hybrid lead halide perovskites for optoelectronic and electronic applications.

    Science.gov (United States)

    Zhao, Yixin; Zhu, Kai

    2016-02-07

    Organic and inorganic hybrid perovskites (e.g., CH(3)NH(3)PbI(3)), with advantages of facile processing, tunable bandgaps, and superior charge-transfer properties, have emerged as a new class of revolutionary optoelectronic semiconductors promising for various applications. Perovskite solar cells constructed with a variety of configurations have demonstrated unprecedented progress in efficiency, reaching about 20% from multiple groups after only several years of active research. A key to this success is the development of various solution-synthesis and film-deposition techniques for controlling the morphology and composition of hybrid perovskites. The rapid progress in material synthesis and device fabrication has also promoted the development of other optoelectronic applications including light-emitting diodes, photodetectors, and transistors. Both experimental and theoretical investigations on organic-inorganic hybrid perovskites have enabled some critical fundamental understandings of this material system. Recent studies have also demonstrated progress in addressing the potential stability issue, which has been identified as a main challenge for future research on halide perovskites. Here, we review recent progress on hybrid perovskites including basic chemical and crystal structures, chemical synthesis of bulk/nanocrystals and thin films with their chemical and physical properties, device configurations, operation principles for various optoelectronic applications (with a focus on solar cells), and photophysics of charge-carrier dynamics. We also discuss the importance of further understanding of the fundamental properties of hybrid perovskites, especially those related to chemical and structural stabilities.

  11. Metal-Halide Perovskite Transistors for Printed Electronics: Challenges and Opportunities

    KAUST Repository

    Lin, Yen-Hung

    2017-10-12

    Following the unprecedented rise in photovoltaic power conversion efficiencies during the past five years, metal-halide perovskites (MHPs) have emerged as a new and highly promising class of solar-energy materials. Their extraordinary electrical and optical properties combined with the abundance of the raw materials, the simplicity of synthetic routes, and processing versatility make MHPs ideal for cost-efficient, large-volume manufacturing of a plethora of optoelectronic devices that span far beyond photovoltaics. Herein looks beyond current applications in the field of energy, to the area of large-area electronics using MHPs as the semiconductor material. A comprehensive overview of the relevant fundamental material properties of MHPs, including crystal structure, electronic states, and charge transport, is provided first. Thereafter, recent demonstrations of MHP-based thin-film transistors and their application in logic circuits, as well as bi-functional devices such as light-sensing and light-emitting transistors, are discussed. Finally, the challenges and opportunities in the area of MHPs-based electronics, with particular emphasis on manufacturing, stability, and health and environmental concerns, are highlighted.

  12. Electronic defects in the halide antiperovskite semiconductor Hg3Se2I2

    Science.gov (United States)

    Kim, Joon-Il; Peters, John A.; He, Yihui; Liu, Zhifu; Das, Sanjib; Kontsevoi, Oleg Y.; Kanatzidis, Mercouri G.; Wessels, Bruce W.

    2017-10-01

    Halide perovskites have emerged as a potential photoconducting material for photovoltaics and hard radiation detection. We investigate the nature of charge transport in the semi-insulating chalcohalide Hg3Se2I2 compound using the temperature dependence of dark current, thermally stimulated current (TSC) spectroscopy, and photoconductivity measurements as well as first-principles density functional theory (DFT) calculations. Dark conductivity measurements and TSC spectroscopy indicate the presence of multiple shallow and deep level traps that have relatively low concentrations of the order of 1013-1015c m-3 and capture cross sections of ˜10-16c m2 . A distinct persistent photoconductivity is observed at both low temperatures (230 K), with major implications for room-temperature compound semiconductor radiation detection. From preliminary DFT calculations, the origin of the traps is attributed to intrinsic vacancy defects (VHg, VSe, and VI) and interstitials (Seint) or other extrinsic impurities. The results point the way for future improvements in crystal quality and detector performance.

  13. Methylammonium lead mixed halide films processed with a new composition for planar perovskite solar cells

    Science.gov (United States)

    Park, Ban-Suk; Lee, Seojun; Yoon, Saemon; Ha, Tae-Jun; Kang, Dong-Won

    2018-01-01

    In this work, we propose a new mixed halide precursor composition for MAPbI3-xClx organic/inorganic perovskite (PRV) solar cells. PRV films made with a new precursor composition of (MAI: PbCl2: PbI2 = 2 : 1 : 1) could be crystallized at lower temperature (70 °C) and shorter annealing duration (60 min), whereas previous standard composition (MAI: PbCl2 = 3 : 1) requires multi-step and high temperature (from 75 °C to 130 °C) annealing for longer durations (∼100 min). By adopting the suggested composition, much uniform surface morphology of PRV light harvester was obtained even though non-polar solvent washing was not introduced yet. Also, when the suitable toluene washing treatment was introduced, PRV surfaces of highly compact and large crystallites with regular distribution were achieved without any pinhole, which offered significant improvements in fill factor (41 → 65%) and power conversion efficiency (5.85 → 9.39%) of PRV cells. The suggested new precursor composition contributing for surface topography can be widely utilized for inverted planar PRV devices with low-temperature and simple processing.

  14. 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.

  15. Electron core ionization in compressed alkali metal cesium

    Science.gov (United States)

    Degtyareva, V. F.

    2018-01-01

    Elements of groups I and II in the periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc-types, defined by electrostatic (Madelung) energy. Diverse structures were found under high pressure with decrease of the coordination number, packing fraction and symmetry. Formation of complex structures can be understood within the model of Fermi sphere-Brillouin zone interactions and supported by Hume-Rothery arguments. With the volume decrease there is a gain of band structure energy accompanied by a formation of many-faced Brillouin zone polyhedra. Under compression to less than a half of the initial volume the interatomic distances become close to or smaller than the ionic radius which should lead to the electron core ionization. At strong compression it is necessary to assume that for alkali metals the valence electron band overlaps with the upper core electrons, which increases the valence electron count under compression.

  16. The structure of alkali silicate gel by total scattering methods

    KAUST Repository

    Benmore, C.J.

    2010-06-01

    The structure of the alkali silicate gel (ASR) collected from the galleries of Furnas Dam in Brazil was determined by a pair distribution function (PDF) analysis of high energy X-ray diffraction data. Since this method is relatively new to concrete structure analysis a detailed introduction on the PDF method is given for glassy SiO2. The bulk amorphous structure of the dam material is confirmed as no Bragg peaks are observed in the scattered intensity. The real space results show that the local structure of the amorphous material is similar to kanemite (KHSi2O5:3H2O) however the long range layer structure of the crystal is broken up in the amorphous state, so that ordering only persists of the length scale of a few polyhedra. The silicate layer structure is a much more disordered than predicted by molecular dynamics models. The X-ray results are consistent with the molecular dynamics model of Kirkpatrick et al. (2005) [1] which predicts that most of the water resides in pores within the amorphous network rather than in layers. The total scattering data provide a rigorous basis against which other models may also be tested. © 2010.

  17. Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene

    Science.gov (United States)

    Sahin, H.; Peeters, F. M.

    2013-02-01

    The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale.

  18. Copper(I) halide complexes with 1,3-propanebis(diphenylphosphine) and heterocyclic thione ligands: crystal and electronic structures (DFT) of [CuCl(pymtH)(dppp)], [CuBr(pymtH)(dppp)], and [Cu(mu-I)(dppp)](2).

    Science.gov (United States)

    Aslanidis, Paraskevas; Cox, Philip J; Divanidis, Savvas; Tsipis, Athanassios C

    2002-12-16

    Reaction of copper(I) chloride or bromide with equimolar amounts of the diphos ligand 1,3-propanebis(diphenylphosphine) and a heterocyclic thione (L) in acetonitrile/methanol solvent afforded mononuclear complexes of the type [CuX(dppp)(L)] with the diphosphine ligand acting as a chelating ligand. In contrast, copper(I) iodide under the same conditions gave the dimeric complex [Cu(mu-I)(dppp)](2), which contains doubly bridging iodo ligands. The structures of three complexes, namely, [CuCl(pymtH)(dppp)], [CuCl(pymtH)(dppp)], and [Cu(mu-I)(dppp)](2), have been established by single-crystal X-ray diffraction. Density functional calculations at the B3LYP level of theory provided a satisfactory description of the structural, bonding, electronic, and related properties of the [CuX(PH(3))(2)] and [CuX(1,3-pdp)] (1,3-pdp = 1,3-propane-di-phosphine) complexes and their dimers along with their associations with the pyrimidine-2-thione (pymtH) ligand. The interaction of the pymtH ligand with the Cu(I) metal center in these complexes corresponds to loose associations, the computed interaction energies predicted to be about 20 kcal/mol for all complexes in the series. The bonding mechanism of the thione ligand with the Cu(I) metal centers involves both a sigma-dative and pi-back-bonding components. The coordination of the pymtH ligand is further stabilized by X...H-N bond formation being more pronounced in the chloro than in the iodo derivatives. The Cu-X bond was also found to be a composite bond involving sigma- and pi-dative bonding components. Most important is the presence of pi-type MOs delocalized over the entire four-membered Cu(mu-X)(2)Cu ring, which supports a ring current and could probably account for the nearly equivalent Cu-X bonds in the rhombus. Moreover, all [Cu(mu-X)(PH(3))(2)](2) dimers exhibit a sigma-type MO corresponding to weak Cu.Cu interactions supporting through-ring intermetallic interactions, which seems to be responsible for the stabilization of

  19. Low -Dimensional Halide Perovskites and Their Advanced Optoelectronic Applications

    Science.gov (United States)

    Zhang, Jian; Yang, Xiaokun; Deng, Hui; Qiao, Keke; Farooq, Umar; Ishaq, Muhammad; Yi, Fei; Liu, Huan; Tang, Jiang; Song, Haisheng

    2017-07-01

    Metal halide perovskites are crystalline materials originally developed out of scientific curiosity. They have shown great potential as active materials in optoelectronic applications. In the last 6 years, their certified photovoltaic efficiencies have reached 22.1%. Compared to bulk halide perovskites, low-dimensional ones exhibited novel physical properties. The photoluminescence quantum yields of perovskite quantum dots are close to 100%. The external quantum efficiencies and current efficiencies of perovskite quantum dot light-emitting diodes have reached 8% and 43 cd A-1, respectively, and their nanowire lasers show ultralow-threshold room-temperature lasing with emission tunability and ease of synthesis. Perovskite nanowire photodetectors reached a responsivity of 10 A W-1 and a specific normalized detectivity of the order of 1012 Jones. Different from most reported reviews focusing on photovoltaic applications, we summarize the rapid progress in the study of low-dimensional perovskite materials, as well as their promising applications in optoelectronic devices. In particular, we review the wide tunability of fabrication methods and the state-of-the-art research outputs of low-dimensional perovskite optoelectronic devices. Finally, the anticipated challenges and potential for this exciting research are proposed.

  20. Subsurface Ectomycorrhizal Fungi: A New Source of Atmospheric Methyl Halides?

    Science.gov (United States)

    Treseder, K. K.; Redeker, K. R.; Allen, M. F.

    2001-12-01

    Incomplete source budgets for methyl halides---compounds that release inorganic halogen radicals which, in turn, catalyze atmospheric ozone depletion---limit our abilities to predict the fate of the stratospheric ozone layer. We tested the ability ectomycorrhizal fungi to produce methyl bromide and methyl iodide. These fungi are abundant in temperate forests, where they colonize tree roots and provide nutrients to their symbiotic plants in exchange for carbon compounds. The observed range of emissions from seven different species in culture is 0.001- to 100-μ g g-1 fungi d-1 for methyl bromide, and 0.5- to 500-μ g g-1 fungi d-1 for methyl iodide. While methyl chloride was not specifically tested, large emissions were observed from several species with little to no emissions observed from others. Further analyses of the effects of substrate concentration, headspace concentration, and temperature were performed on the species Cenococcum geophilum, one of the most abundant ectomycorrhizal fungi. Our results suggest that subsurface fungal emissions may be a significant global source of methyl halides.

  1. Cation Dynamics Governed Thermal Properties of Lead Halide Perovskite Nanowires.

    Science.gov (United States)

    Wang, Yuxi; Lin, Renxing; Zhu, Pengchen; Zheng, Qinghui; Wang, Qianjin; Li, Deyu; Zhu, Jia

    2018-04-09

    Metal halide perovskite (MHP) nanowires such as hybrid organic-inorganic CH 3 NH 3 PbX 3 (X = Cl, Br, I) have drawn significant attention as promising building blocks for high-performance solar cells, light-emitting devices, and semiconductor lasers. However, the physics of thermal transport in MHP nanowires is still elusive even though it is highly relevant to the device thermal stability and optoelectronic performance. Through combined experimental measurements and theoretical analyses, here we disclose the underlying mechanisms governing thermal transport in three different kinds of lead halide perovskite nanowires (CH 3 NH 3 PbI 3 , CH 3 NH 3 PbBr 3 and CsPbBr 3 ). It is shown that the thermal conductivity of CH 3 NH 3 PbBr 3 nanowires is significantly suppressed as compared to that of CsPbBr 3 nanowires, which is attributed to the cation dynamic disorder. Furthermore, we observed different temperature-dependent thermal conductivities of hybrid perovskites CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3 , which can be attributed to accelerated cation dynamics in CH 3 NH 3 PbBr 3 at low temperature and the combined effects of lower phonon group velocity and higher Umklapp scattering rate in CH 3 NH 3 PbI 3 at high temperature. These data and understanding should shed light on the design of high-performance MHP based thermal and optoelectronic devices.

  2. 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.

  3. 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

  4. Alkali content of fly ash : measuring and testing strategies for compliance : [tech transfer summary].

    Science.gov (United States)

    2015-04-01

    This study investigated the test methods used to determine the : alkali content of fly ash. It also evaluated if high-alkali fly ash : exacerbates alkali-silica reaction in laboratory tests and field : concrete.

  5. Alkali content of fly ash : measuring and testing strategies for compliance.

    Science.gov (United States)

    2015-04-01

    Sodium and potassium are the common alkalis present in fly ash. Excessive amounts of fly ash alkalis can cause efflorescence : problems in concrete products and raise concern about the effectiveness of the fly ash to mitigate alkali-silica reaction (...

  6. Electric conductivity of alkali metal perchlorates

    International Nuclear Information System (INIS)

    Ulikhin, A.S.; Uvarov, N.F.

    2007-01-01

    Ionic conductivity of high-temperature phases of alkali metal perchlorates, MClO 4 , where M stands for Li-Cs, is studied. It is found that the conductivity passes through a minimum with increasing radius of cation, and KClO 4 exhibits the lowest conductivity. This is explained by a decrease in the relative size of conduction channel, which hampers the cation transfer, and an increase in the relative free volume. The free-volume increase promotes the perchlorate anion reorientation and reduces the activation energy for ion transfer by the paddle-wheel mechanism; as a result, the conductivity increases [ru

  7. Cathode architectures for alkali metal / oxygen batteries

    Science.gov (United States)

    Visco, Steven J; Nimon, Vitaliy; De Jonghe, Lutgard C; Volfkovich, Yury; Bograchev, Daniil

    2015-01-13

    Electrochemical energy storage devices, such as alkali metal-oxygen battery cells (e.g., non-aqueous lithium-air cells), have a cathode architecture with a porous structure and pore composition that is tailored to improve cell performance, especially as it pertains to one or more of the discharge/charge rate, cycle life, and delivered ampere-hour capacity. A porous cathode architecture having a pore volume that is derived from pores of varying radii wherein the pore size distribution is tailored as a function of the architecture thickness is one way to achieve one or more of the aforementioned cell performance improvements.

  8. 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.)

  9. 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.

  10. COMPLEX FLUORIDES OF PLUTONIUM AND AN ALKALI METAL

    Science.gov (United States)

    Seaborg, G.T.

    1960-08-01

    A method is given for precipitating alkali metal plutonium fluorides. such as KPuF/sub 5/, KPu/sub 2/F/sub 9/, NaPuF/sub 5/, and RbPuF/sub 5/, from an aqueous plutonium(IV) solution by adding hydrogen fluoride and alkali-metal- fluoride.

  11. Effect of fibre content and alkali treatment on mechanical properties ...

    Indian Academy of Sciences (India)

    Roystonea regia fibre; epoxy resin; alkali treatment; mechanical properties. Abstract. The present paper investigates the effect of fibre content and alkali treatment on tensile, flexural and impact properties of unidirectional Roystonea regia natural-fibre-reinforced epoxy composites which are partially biodegradable.

  12. Thermochemical properties of the alkali hydroxides: A review

    International Nuclear Information System (INIS)

    Konings, R.J.M.; Cordfunke, E.H.P.

    1989-01-01

    The formation of volatile alkali hydroxides as a result of high-temperature steam corrosion plays an important role in nuclear technology. For the modeling of the volatilization processes, reliable thermodynamic data are required. In the present paper recent physico-chemical experiments by the authors will be discussed and the thermochemical properties of the alkali hydroxide series will be evaluated. (orig.)

  13. Possible applications of alkali-activated systems in construction

    OpenAIRE

    Boháčová, J.; Staněk, S.; Vavro, M. (Martin)

    2013-01-01

    This paper deals with the possibilities of using alkali-activated systems in construction. This article summarizes the advantages and disadvantages of geopolymer in comparison to Portland cement, summarizes research and practical applications of alkali-activated materials in our country and abroad, and provides an overview of directions where these alternative inorganic binders can be in the future very well applied.

  14. Profiling application potential for alkali treated sisal fiber ...

    African Journals Online (AJOL)

    Profiling application potential for alkali treated sisal fiber-polypropylene composite in Ashby material-property plots. ... International Journal of Engineering, Science and Technology ... The effect of alkali treatment on sisal fiber from the plant agave sisalana in appropriation for composite material application is presented.

  15. Alkali and bleach treatment of the extracted cellulose from pineapple ...

    African Journals Online (AJOL)

    We successfully extracted cellulose from pineapple leaves (Ananas comosus) using alkali treatment and bleaching. Alkali treatment was done using aqueous sodium hydroxide while bleaching was done using acetate buffer and aqueous sodium chlorite. The extracted cellulose was characterized using Scanning electron ...

  16. Alkali aggregate reactivity in concrete structures in western Canada

    International Nuclear Information System (INIS)

    Morgan, D.R.; Empey, D.

    1989-01-01

    In several regions of Canada, particularly parts of Ontario, Quebec and the Maritime Provinces, research, testing and evaluation of aged concrete structures in the field has shown that alkali aggregate reactivity can give rise to pronounced concrete deterioration, particularly in hydraulic structures subjected to saturation or alternate wetting and drying such as locks, dams, canals, etc. Concrete deterioration is mainly caused by alkali-silica reactions and alkali-carbonate reactions, but a third type of deterioration involves slow/late expanding alkali-silicate/silica reactivity. The alkalies NaOH and KOH in the concrete pore solutions are mainly responsible for attack on expansive rocks and minerals in concrete. Methods for evaluating alkali-aggregate reaction potential in aggregates, and field and laboratory methods for detecting deterioration are discussed. Examples of alkali-aggregate reactions in structures is western Canada are detailed, including a water reservoir at Canadian Forces Base Chilliwack in British Columbia, the Oldman River diversion and flume, the Lundbreck Falls Bridge, and the St Mary's Reservoir spillway, all in southern Alberta. Mitigative measures include avoidance of use of suspect aggregates, but if this cannot be avoided it is recommended to keep the total alkalies in the concrete as low as possible and minimize opportunities for saturation of concrete by moisture. 16 refs., 19 figs., 1 tab

  17. Language and Style in Zaynab Alkali's The Stillborn | Azuike ...

    African Journals Online (AJOL)

    This paper examines the language and style of Zaynab Alkali's The Stillborn. Alkali's style in The Stillborn lies in her effective deployment of linguo-literary resources to tell the story. The study scrutinizes the nexus of figures of speech and linguistic artifacts, which link the events and characters that populate her novel and ...

  18. Metal analyses of ash derived alkalis from banana and plantain ...

    African Journals Online (AJOL)

    The objective of this work was to determine the metal content of plantain and banana peels ash derived alkali and the possibility of using it as alternate and cheap source of alkali in soap industry. This was done by ashing the peels and dissolving it in de-ionised water to achieve the corresponding hydroxides with pH above ...

  19. [Raman spectra of endospores of Bacillus subtilis by alkali stress].

    Science.gov (United States)

    Dong, Rong; Lu, Ming-qian; Li, Feng; Shi, Gui-yu; Huang, Shu-shi

    2013-09-01

    To research the lethal mechanism of spores stressed by alkali, laser tweezers Raman spectroscopy (LTRS) combined with principal components analysis (PCA) was used to study the physiological process of single spore with alkali stress. The results showed that both spores and germinated spores had tolerance with alkali in a certain range, but the ability of spores was obviously lower than that of spores due to the release of their Ca2+ -DPA which plays a key role in spores resistance as well as spores resistance to many stresses; A small amount of Ca2+ -DPA of spores was observed to release after alkali stress, however, the behavior of release was different with the normal Ca2+ -DPA release behavior induced by L-alanine; The data before and after alkali stress of the spores and g. spores with PCA reflected that alkali mainly injured the membrane of spores, and alkali could be easily enter into the inner structure of spores to damage the structure of protein backbone and injure the nucleic acid of spores. We show that the alkali could result in the small amount of Ca2+ -DPA released by destroying the member channel of spores.

  20. Formation of lysinoalanine in egg white under alkali treatment.

    Science.gov (United States)

    Zhao, Yan; Luo, Xuying; Li, Jianke; Xu, Mingsheng; Tu, Yonggang

    2016-03-01

    To investigate the formation mechanism of lysinoalanine (LAL) in eggs during the alkali treatment process, NaOH was used for the direct alkali treatment of egg white, ovalbumin, and amino acids; in addition, the amount of LAL formed during the alkali treatment process was measured. The results showed that the alkali treatment resulted in the formation of LAL in the egg white. The LAL content increased with increasing pH and temperature, with the LAL content first increasing and then leveling off with increasing time. The amount of LAL formed in the ovalbumin under the alkali treatment condition accounted for approximately 50.51% to 58.68% of the amount of LAL formed in the egg white. Thus, the LAL formed in the ovalbumin was the main source for the LAL in the egg white during the alkali treatment process. Under the alkali treatment condition, free L-serine, L-cysteine, and L-cystine reacted with L-lysine to form LAL; therefore, they are the precursor amino acids of LAL formed in eggs during the alkali treatment process. © 2016 Poultry Science Association Inc.

  1. Density functional study of ferromagnetism in alkali metal thin films

    Indian Academy of Sciences (India)

    thickness uniform jellium model (UJM), and it is argued that within LSDA or GGA, alkali metal thin films cannot be claimed to have an FM ground state. Relevance of these results to the experiments on transition metal-doped alkali metal thin films ...

  2. Superconductivity and electrical resistivity in alkali metal doped ...

    Indian Academy of Sciences (India)

    Unknown

    Fullerenes; alkali-C60 phonon; on-ball-C60 phonon; pressure effect; electrical resistivity. 1. Introduction. Buckminsterfullerenes are known to make compounds with alkali metals intensively studied mainly due to superconductivity and the variation of compounds (Hebard et al 1991; Holczer et al 1991; Tanigaki et al 1991).

  3. Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin

    OpenAIRE

    Kouyama, Tsutomu; Kawaguchi, Haruki; Nakanishi, Taichi; Kubo, Hiroki; Murakami, Midori

    2015-01-01

    Halorhodopsin from Natronomonas pharaonis (pHR) functions as a light-driven halide ion pump. In the presence of halide ions, the photochemical reaction of pHR is described by the scheme: K→ L1 → L2 → N → O → pHR′ → pHR. Here, we report light-induced structural changes of the pHR-bromide complex observed in the C2 crystal. In the L1-to-L2 transition, the bromide ion that initially exists in the extracellular vicinity of retinal moves across the retinal Schiff base. Upon the formation of the N ...

  4. Solidification of nitrate solutions with alkali-activated slag and slag–metakaolin cements

    Energy Technology Data Exchange (ETDEWEB)

    Rakhimova, Nailia R., E-mail: rahimova.07@list.ru [Kazan State University of Architecture and Engineering, Kazan (Russian Federation); Rakhimov, Ravil Z. [Kazan State University of Architecture and Engineering, Kazan (Russian Federation); Osin, Yury N. [Kazan Federal University, Kazan (Russian Federation); Naumkina, Natalia I.; Gubaidullina, Alfiya M. [Central Research Institute for Geology of Industrial Minerals, Kazan (Russian Federation); Yakovlev, Grigory I.; Shaybadullina, Arina V. [Kalashnikov Izhevsk State Technical University, Izhevsk (Russian Federation)

    2015-02-15

    Highlights: • The effectiveness of an AASC matrix for NaNO{sub 3} solution solidification is stated. • XRD, DTA-TG, and X-ray microtomography experiments were performed. • Crystallization of NaNO{sub 3} reduces the shrinkage of hardened AASC-based waste forms. • Metakaolin shortens the setting time and increases the compressive strength of AASC. - Abstract: The solidification of nitrate solutions with alkali-activated slag (AASC) and slag–metakaolin cements (AASMC) and the resulting setting times, compressive strengths, dimensional stability, water resistance, hydration products, microstructures, and macroporous network structures were evaluated. The influences of the alkali activator concentration, mineral composition of metakaolin, ratio of slag to slag + metakaolin, and concentration of NaNO{sub 3} on the cement performance were all evaluated in detail. The compressive strength of cemented nitrate solutions with AASC and AASMC aged for 28 days was from 13.4 to 42 MPa depending on the NaNO{sub 3} concentration. X-ray diffractometer, differential thermal analyzer, and electron microscope analyses suggested that NaNO{sub 3} crystallizes in cementitious matrices without reacting with the hydration products of AASC and AASMC. X-ray microtomography showed that the solidified NaNO{sub 3} solution with a salt concentration of 700 g/l and AASC had a denser microstructure without shrinkage microcracks, a smaller macropore volume, and smaller macropore sizes than hardened AASC-based paste mixed with water.

  5. Solidification of nitrate solutions with alkali-activated slag and slag–metakaolin cements

    International Nuclear Information System (INIS)

    Rakhimova, Nailia R.; Rakhimov, Ravil Z.; Osin, Yury N.; Naumkina, Natalia I.; Gubaidullina, Alfiya M.; Yakovlev, Grigory I.; Shaybadullina, Arina V.

    2015-01-01

    Highlights: • The effectiveness of an AASC matrix for NaNO 3 solution solidification is stated. • XRD, DTA-TG, and X-ray microtomography experiments were performed. • Crystallization of NaNO 3 reduces the shrinkage of hardened AASC-based waste forms. • Metakaolin shortens the setting time and increases the compressive strength of AASC. - Abstract: The solidification of nitrate solutions with alkali-activated slag (AASC) and slag–metakaolin cements (AASMC) and the resulting setting times, compressive strengths, dimensional stability, water resistance, hydration products, microstructures, and macroporous network structures were evaluated. The influences of the alkali activator concentration, mineral composition of metakaolin, ratio of slag to slag + metakaolin, and concentration of NaNO 3 on the cement performance were all evaluated in detail. The compressive strength of cemented nitrate solutions with AASC and AASMC aged for 28 days was from 13.4 to 42 MPa depending on the NaNO 3 concentration. X-ray diffractometer, differential thermal analyzer, and electron microscope analyses suggested that NaNO 3 crystallizes in cementitious matrices without reacting with the hydration products of AASC and AASMC. X-ray microtomography showed that the solidified NaNO 3 solution with a salt concentration of 700 g/l and AASC had a denser microstructure without shrinkage microcracks, a smaller macropore volume, and smaller macropore sizes than hardened AASC-based paste mixed with water

  6. Crystals in crystals

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Schmidt, I.; Carlsson, A.

    2005-01-01

    A major factor governing the performance of catalytically active particles supported on a zeolite carrier is the degree of dispersion. It is shown that the introduction of noncrystallographic mesopores into zeolite single crystals (silicalite-1, ZSM-5) may increase the degree of particle dispersion...... of the zeolite particles, particularly after thermal treatment. When using mesoporous zeolites, the particles were evenly distributed throughout the mesopore system of the zeolitic support, even after calcination, leading to nanocrystals within mesoporous zeolite single crystals....

  7. Remarkably Enhancing Green-Excitation Efficiency for Solar Energy Utilization: Red Phosphors Ba2ZnS3:Eu2+, X-Co-Doped Halide Ions (X = Cl, Br, I).

    Science.gov (United States)

    Luo, Tingting; Du, Yun; Qiu, Zhongxian; Li, Yanmei; Wang, Xiaofang; Zhou, Wenli; Zhang, Jilin; Yu, Liping; Lian, Shixun

    2017-05-15

    Eu 2+ -activated Ba 2 ZnS 3 has been reported as a red phosphor with a broad emission band peaking at 650 nm under blue excitation for white-LED. In this study, Ba 2 ZnS 3 :Eu 2+ , X - (X = F, Cl, Br, I) phosphors doped with halide ions were prepared by traditional high-temperature solid-state reaction. Phase identification of powders was performed by X-ray powder diffraction analysis, confirming the existence of single-phase Ba 2 ZnS 3 crystals without dopant. The corresponding excitation spectra showed an additional broad band in the green region peaking at 550 nm when the phosphor was halogenated except by the smallest F - . It was proved that the green-excitation efficiency successively strengthened from Cl - , to Br - , to I - , which suggested larger halide ions made a greater contribution to the further splitting of the t 2g energy level of the doped Eu 2+ ions in the host Ba 2 ZnS 3 , and the optimized formula Ba 1.995 ZnS 2.82 :Eu 2+ 0.005 , I - 0.18 showed a potential application in solar spectral conversion for agricultural greenhouse and solar cell. Defect chemistry theory and crystal field theory provided insights into the key role of halide ions in enhancing green-excitation efficiency.

  8. Electronic and atomic structures of liquid tellurium containing alkali elements

    International Nuclear Information System (INIS)

    Kawakita, Yukinobu; Yao, Makoto; Endo, Hirohisa.

    1997-01-01

    The measurements of electrical conductivity σ, density, EXAFS and neutron scattering were carried out for liquid K-Te and Rb-Te mixtures. The conductivity σ decreases rapidly with alkali concentration and a metal-semiconductor transition occurs at about 10 at.% alkali. It is found that the compositional variation of σ is nearly independent of the alkali species. The Te-Te bond length deduced from EXAFS and neutron scattering measurements is 2.8 A and changes little with alkali concentrations. The average distances from K and Rb atom to Te atoms are 3.6 A and 3.8 A, respectively. Two kinds of relaxation processes are observed in quasielastic neutron scattering for K 20 Te 80 . Upon the addition of alkali the interaction between the neighbouring Te chains, which is responsible for the metallic conduction, weaken considerably. (author)

  9. A tentative model for estimating the compressibility of rock-salt ...

    Indian Academy of Sciences (India)

    that interconnects Gibbs energy for the formation and/or migration of defects in solids with bulk properties. Keywords. Compressibility; point defects; mixed crystals. PACS Nos 61.72.Bb; 61.72.J–; 62.20.D–; 66.30.Fq; 66.30.–h. 1. Introduction. Silver halides exhibit interesting properties compared to the alkali halides, such as ...

  10. Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts

    KAUST Repository

    Falivene, Laura

    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.

  11. Electrochemical mechanism of silver nanoprisms transformation in aqueous solutions containing the halide ions

    Science.gov (United States)

    Abkhalimov, E. V.; Timofeev, A. A.; Ershov, B. G.

    2018-02-01

    The transformation process of 20-50 nm silver nanoprisms in the presence of Cl-, Br-, and I- ions was studied. The threshold concentrations of halide ions that initiate the transformation do not depend on the size of nanoprisms. It was shown that the structure change is caused by the formation of poorly soluble silver complexes on nanoprisms and occurs by an electrochemical mechanism. The induction period preceding the onset of shape transformation is related to the formation of silver halide nanoelectrodes. The electrochemical reactions involving silver and silver halide nanoelectrodes induce restructuring of silver particles the efficiency of which is determined by electrode potentials. [Figure not available: see fulltext.

  12. IRMPD Action Spectroscopy of Alkali Metal Cation-Cytosine Complexes: Effects of Alkali Metal Cation Size on Gas Phase Conformation

    NARCIS (Netherlands)

    Yang, B.; Wu, R.R.; Polfer, N.C.; Berden, G.; Oomens, J.; Rodgers, M.T.

    2013-01-01

    The gas-phase structures of alkali metal cation-cytosine complexes generated by electrospray ionization are probed via infrared multiple photon dissociation (IRMPD) action spectroscopy and theoretical calculations. IRMPD action spectra of five alkali metal cation-cytosine complexes exhibit both

  13. Ion Partitioning at the liquid/vapor interface of a multi-component alkali halidesolution: A model for aqueous sea salt aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Ghosal, Sutapa; Brown, Matthew A.; Bluhm, Hendrik; Krisch, Maria J.; Salmeron, Miquel; Jungwirth, Pavel; Hemminger, John C.

    2008-12-22

    The chemistry of Br species associated with sea salt ice and aerosols has been implicated in the episodes of ozone depletion reported at Arctic sunrise. However, Br{sup -} is only a minor component in sea salt, which has a Br{sup -}/Cl{sup -} molar ratio of {approx}0.0015. Sea salt is a complex mixture of many different species, with NaCl as the primary component. In recent years experimental and theoretical studies have reported enhancement of the large, more polarizable halide ion at the liquid/vapor interface of corresponding aqueous alkali halide solutions. The proposed enhancement is likely to influence the availability of sea salt Br{sup -} for heterogeneous reactions such as those involved in the ozone depletion episodes. We report here ambient pressure x-ray photoelectron spectroscopy studies and molecular dynamics simulations showing direct evidence of Br{sup -} enhancement at the interface of an aqueous NaCl solution doped with bromide. The experiments were carried out on samples with Br{sup -}/Cl{sup -} ratios in the range 0.1% to 10%, the latter being also the ratio for which simulations were carried out. This is the first direct measurement of interfacial enhancement of Br{sup -} in a multi-component solution with particular relevance to sea salt chemistry.

  14. Feshbach resonances associated with Rydberg states of the hydrogen halides

    International Nuclear Information System (INIS)

    Spence, D.; Noguchi, T.

    1975-01-01

    Using an electron transmission spectrometer we locate Feshbach resonances in the hydrogen halides HF, HCl, HBr, and HI. These resonances consist of two Rydberg electrons bound to a positive ion core grandparent state. By analysis of previously published data, we determine the electron configurations of resonances observed in the isoelectronic rare gases and hence deduce the electron configurations of the resonances observed in HCl, HBr, and HI. We find that most of the observed resonances whose grandparent positive ion states have term value X 2 Pi are associated with Rydberg parent states of symmetry X 2 Pinssigma, X 2 Pinpsigma, and X 2 Pindlambda. In HF, only one resonance series, associated with the X 2 Pi3ssigma 1 , 3 Pi Rydberg state is observed

  15. Properties and potential optoelectronic applications of lead halide perovskite nanocrystals

    Science.gov (United States)

    Kovalenko, Maksym V.; Protesescu, Loredana; Bodnarchuk, Maryna I.

    2017-11-01

    Semiconducting lead halide perovskites (LHPs) have not only become prominent thin-film absorber materials in photovoltaics but have also proven to be disruptive in the field of colloidal semiconductor nanocrystals (NCs). The most important feature of LHP NCs is their so-called defect-tolerance—the apparently benign nature of structural defects, highly abundant in these compounds, with respect to optical and electronic properties. Here, we review the important differences that exist in the chemistry and physics of LHP NCs as compared with more conventional, tetrahedrally bonded, elemental, and binary semiconductor NCs (such as silicon, germanium, cadmium selenide, gallium arsenide, and indium phosphide). We survey the prospects of LHP NCs for optoelectronic applications such as in television displays, light-emitting devices, and solar cells, emphasizing the practical hurdles that remain to be overcome.

  16. Recent progress in efficient hybrid lead halide perovskite solar cells.

    Science.gov (United States)

    Cui, Jin; Yuan, Huailiang; Li, Junpeng; Xu, Xiaobao; Shen, Yan; Lin, Hong; Wang, Mingkui

    2015-06-01

    The efficiency of perovskite solar cells (PSCs) has been improved from 9.7 to 19.3%, with the highest value of 20.1% achieved in 2014. Such a high photovoltaic performance can be attributed to optically high absorption characteristics and balanced charge transport properties with long diffusion lengths of the hybrid lead halide perovskite materials. In this review, some fundamental details of hybrid lead iodide perovskite materials, various fabrication techniques and device structures are described, aiming for a better understanding of these materials and thus highly efficient PSC devices. In addition, some advantages and open issues are discussed here to outline the prospects and challenges of using perovskites in commercial photovoltaic devices.

  17. 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.

  18. Vacuum-Deposited Organometallic Halide Perovskite Light-Emitting Devices.

    Science.gov (United States)

    Chiang, Kai-Ming; Hsu, Bo-Wei; Chang, Yi-An; Yang, Lin; Tsai, Wei-Lun; Lin, Hao-Wu

    2017-11-22

    In this work, a sequential vacuum deposition process of bright, highly crystalline, and smooth methylammonium lead bromide and phenethylammonium lead bromide perovskite thin films are investigated and the first vacuum-deposited organometallic halide perovskite light-emitting devices (PeLEDs) are demonstrated. Exceptionally low refractive indices and extinction coefficients in the emission wavelength range are obtained for these films, which contributed to a high light out-coupling efficiency of the PeLEDs. By utilizing these perovskite thin films as emission layers, the vacuum-deposited PeLEDs exhibit a very narrow saturated green electroluminescence at 531 nm, with a spectral full width at half-maximum bandwidth of 18.6 nm, a promising brightness of up to 6200 cd/m 2 , a current efficiency of 1.3 cd/A, and an external quantum efficiency of 0.36%.

  19. 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.

  20. Structure and electrical resistivity of alkali-alkali and lithium-based liquid binary alloys

    International Nuclear Information System (INIS)

    Mishra, A.K.; Mukherjee, K.K.

    1990-01-01

    Harmonic model potential, developed and used for simple metals is applied here to evaluate hardsphere diameters, which ensure minimum interionic pair potential for alkali-alkali (Na-K, Na-Rb, Na-Cs, K-Rb, K-Cs) and lithium-based (Li-Na, Li-Mg, Li-In, Li-Tl) liquid binary alloys as a function of composition for use in the determination of their partial structure factors. These structure factors are then used to calculate electrical resistivities of alloys considered. The computed values of electrical resistivity as a function of composition agree both, in magnitude and gradient reasonably well with experimental values in all cases except in Cs systems, where the disagreement is appreciable. (author)

  1. 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.

  2. Lightweight and Flexible Metal Halide Perovskite Thin Films for High Temperature Solar Cells

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of this project is to develop metal halide perovskites (MHPs) based solar cells for high temperature operation. MHPs have been recently discovered as high...

  3. Non-hydrolytic metal oxide films for perovskite halide overcoating and stabilization

    Energy Technology Data Exchange (ETDEWEB)

    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.

  4. 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

  5. Maternal exposure to alkali, alkali earth, transition and other metals: Concentrations and predictors of exposure

    International Nuclear Information System (INIS)

    Hinwood, A.L.; Stasinska, A.; Callan, A.C.; Heyworth, J.; Ramalingam, M.; Boyce, M.; McCafferty, P.; Odland, J.Ø.

    2015-01-01

    Most studies of metals exposure focus on the heavy metals. There are many other metals (the transition, alkali and alkaline earth metals in particular) in common use in electronics, defense industries, emitted via combustion and which are naturally present in the environment, that have received limited attention in terms of human exposure. We analysed samples of whole blood (172), urine (173) and drinking water (172) for antimony, beryllium, bismuth, cesium, gallium, rubidium, silver, strontium, thallium, thorium and vanadium using ICPMS. In general most metals concentrations were low and below the analytical limit of detection with some high concentrations observed. Few factors examined in regression models were shown to influence biological metals concentrations and explained little of the variation. Further study is required to establish the source of metals exposures at the high end of the ranges of concentrations measured and the potential for any adverse health impacts in children. - This study has demonstrated exposure to alkali, alkali earth and transition metals in pregnant women with factors such as breastfeeding, fish oil use and diet affecting exposures

  6. United States Air Force Summer Faculty Research Program. 1989 Program Management Report

    Science.gov (United States)

    1989-12-01

    hamstring , quadricep and gastrocnemius/soleus muscles were recorded from 3 subjects during sustained gravitational stress of 6 +GZ. Each subject was...alkali halides possessing a combination of cation to anion size ratio and a crystal packing structure. The azide--alkali halide adducts exhibit stability...In this paper, we make an attempt to determine the degree of convergence to the limiting properties of the Occurrence/ Exposure Ratio by resorting to

  7. Concrete alkali-silica reaction and nuclear radiation damage

    International Nuclear Information System (INIS)

    Ichikawa, Tsuneki

    2008-01-01

    The deterioration of concrete by alkali-silica reaction of aggregates (ASR) and the effect of nuclear radiations on the ASR have been reviewed based on our studies on the mechanism of ASR and the effect of nuclear radiations on the resistivity of minerals to alkaline solution. It has been found that the ASR is initiated by the attack of alkaline solution in concrete to silicious aggregates to convert them into hydrated alkali silicate. The consumption of alkali hydroxide by the aggregates induces the dissolution of Ca 2+ ions into the solution. The alkali silicate surrounding the aggregates then reacts with Ca 2+ ions to convert to insoluble tight and rigid reaction rims. The reaction rim allows the penetration of alkaline solution but prevents the leakage of viscous alkali silicate, so that alkali silicate generated afterward is accumulated in the aggregate to give an expansive pressure enough for cracking the aggregate and the surrounding concrete. The effect of nuclear radiation on the reactivity of quartz and plagioclase, a part of major minerals composing volcanic rocks as popular aggregates, to alkaline solution has been examined for clarifying whether nuclear radiations accelerates the ASR. It has been found that the irradiation of these minerals converts them into alkali-reactive amorphous ones. The radiation dose for plagioclase is as low as 10 8 Gy, which suggests that the ASR of concrete surrounding nuclear reactors is possible to be accelerated by nuclear radiation. (author)

  8. Controlled in-situ dissolution of an alkali metal

    Science.gov (United States)

    Jones, Jeffrey Donald; Dooley, Kirk John; Tolman, David Donald

    2012-09-11

    A method for the controllable dissolution of one or more alkali metals from a vessel containing a one or more alkali metals and/or one or more partially passivated alkali metals. The vessel preferably comprising a sodium, NaK or other alkali metal-cooled nuclear reactor that has been used. The alkali metal, preferably sodium, potassium or a combination thereof, in the vessel is exposed to a treatment liquid, preferably an acidic liquid, more preferably citric acid. Preferably, the treatment liquid is maintained in continuous motion relative to any surface of unreacted alkali metal with which the treatment liquid is in contact. The treatment liquid is preferably pumped into the vessel containing the one or more alkali metals and the resulting fluid is extracted and optionally further processed. Preferably, the resulting off-gases are processed by an off-gas treatment system and the resulting liquids are processed by a liquid disposal system. In one preferred embodiment, an inert gas is pumped into the vessel along with the treatment liquid.

  9. EPR and luminescence of u.v. irradiated PbCl2 and PbBr2 crystals

    NARCIS (Netherlands)

    Gruijter, W.C. de; Kerssen, J.

    Results are presented of EPR-measurements on PbCl2 and PbBr2 single crystals at low temperatures. Pb+, Pb+-pairs and colloidal lead particles are formed during u.v. irradiation. The concentration of the Pb+-pairs increases after the irradiation is stopped. The red luminescence of both lead halides

  10. On-line separation of volatile fission products by thermochromatography: Comparison of halide systems

    International Nuclear Information System (INIS)

    Hickmann, U.; Greulich, N.; Trautmann, N.; Herrmann, G.

    1993-01-01

    The volatilization and deposition of fission product fluorides, bromides, iodides and of complexes with aluminum trichloride were investigated with an on-line system. The activity was transported by a gas jet from the target area to a quartz-powder column. Volatile halides were generated with various reagents at the entrance into the column and deposited along the column in a descending temperature gradient. Adsorption enthalpies for some fission product halides on quartz surfaces were derived. (orig.)

  11. Electro-optic response of metal halide : A first-principles study

    Indian Academy of Sciences (India)

    Amreen Bano

    2017-07-08

    Jul 8, 2017 ... A theoretical study of electronic and optical properties of metal-halide cubic perovskite, CsPbI3, ... In the case of conductors, the ... To the best of our knowledge, no attempts have been made to study the optical properties of cubic CsPbI3. In this paper, we assess the properties of halide perovskite CsPbI3 ...

  12. Neutral and Charged Exciton Fine Structure in Single Lead Halide Perovskite Nanocrystals Revealed by Magneto-optical Spectroscopy.

    Science.gov (United States)

    Fu, Ming; Tamarat, Philippe; Huang, He; Even, Jacky; Rogach, Andrey L; Lounis, Brahim

    2017-05-10

    Revealing the crystal structure of lead halide perovskite nanocrystals is essential for the optimization of stability of these emerging materials in applications such as solar cells, photodetectors, and light-emitting devices. We use magneto-photoluminescence spectroscopy of individual perovskite CsPbBr 3 nanocrystals as a unique tool to determine their crystal structure, which imprints distinct signatures in the excitonic sublevels of charge complexes at low temperatures. At zero magnetic field, the identification of two classes of photoluminescence spectra, displaying either two or three sublevels in their exciton fine structure, shows evidence for the existence of two crystalline structures, namely tetragonal D 4h and orthorhombic D 2h phases. Magnetic field shifts, splitting, and coupling of the sublevels provide a determination of the diamagnetic coefficient and valuable information on the exciton g-factor and its anisotropic character. Moreover, this spectroscopic study reveals the optical properties of charged excitons and allows the extraction of the electron and hole g-factors for perovskite systems.

  13. Synthesis of tunable-band-gap "Open-Box" halide perovskites by use of anion exchange and internal dissolution procedures.

    Science.gov (United States)

    Wu, Zhengcui; Wang, Baohua; He, Jian; Chen, Tao

    2016-01-01

    We demonstrate the synthesis of cuboid MAPbBr3 (MA=CH3NH3) microcrystals and subsequent conversion into open-box-like MAPb(Br(1-x)I(x))3 (0⩽x⩽1) microcrystals by anion exchange in MAI solution. During the substitution of Br(-) with I(-), the initial cuboid framework of MAPbBr3 crystals is retained. The preferential internal dissolution of MAPbBr3 due to the surface coverage and protection of MAPb(Br(1-x)I(x))3 induces voids inside the cuboid crystals, finally leading to open-box-like iodide-rich MAPb(Br(1-x)I(x))3. By controlling the degree of anion exchange, the intense light absorption of the product is able to be tuned in specific wavelengths throughout the visible range. This solution-phase anion exchange approach provides a synthetic strategy in designing sophisticated organolead halide perovskites structures as well as tuning the band gaps for further applications across a range of possible domains. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Increasing Class C fly ash reduces alkali silica reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Hicks, J.K. [Mineral Resources Technologies, Inc. (United States)

    2007-07-01

    Contrary to earlier studies, it has been found that incremental additions of Class C fly ash do reduce alkali silica reactivity (ASR), in highly reactive, high alkali concrete mixes. AST can be further reduced by substituting 5% metakaolin or silica fume for the aggregate in concrete mixes with high (more than 30%) Class C fly ash substitution. The paper reports results of studies using Class C fly ash from the Labadie Station plant in Missouri which typically has between 1.3 and 1.45% available alkalis by ASTM C311. 7 figs.

  15. Control of alkali species in gasification systems: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Turn, S.; Kinoshita, C.; Ishimura, D. Zhou, J.; Hiraki, T.; Masutani, S.

    2000-07-13

    Gas-phase alkali metal compounds contribute to fouling, slagging, corrosion, and agglomeration problems in energy conversion facilities. One mitigation strategy applicable at high temperature is to pass the gas stream through a fixed bed sorbent or getter material, which preferentially absorbs alkali via physical adsorption or chemisorption. This report presents results of an experimental investigation of high-temperature alkali removal from a hot filtered gasifier product gas stream using a packed bed of sorbent material. Two getter materials, activated bauxite and emathlite, were tested at two levels of space time by using two interchangeable reactors of different internal diameters. The effect of getter particle size was also investigated.

  16. Mechanistic Aspects of Aryl-Halide Oxidative Addition, Coordination Chemistry, and Ring-Walking by Palladium.

    Science.gov (United States)

    Zenkina, Olena V; Gidron, Ori; Shimon, Linda J W; Iron, Mark A; van der Boom, Milko E

    2015-11-02

    This contribution describes the reactivity of a zero-valent palladium phosphine complex with substrates that contain both an aryl halide moiety and an unsaturated carbon-carbon bond. Although η(2) -coordination of the metal center to a C=C or C≡C unit is kinetically favored, aryl halide bond activation is favored thermodynamically. These quantitative transformations proceed under mild reaction conditions in solution or in the solid state. Kinetic measurements indicate that formation of η(2) -coordination complexes are not nonproductive side-equilibria, but observable (and in several cases even isolated) intermediates en route to aryl halide bond cleavage. At the same time, DFT calculations show that the reaction with palladium may proceed through a dissociation-oxidative addition mechanism rather than through a haptotropic intramolecular process (i.e., ring walking). Furthermore, the transition state involves coordination of a third phosphine to the palladium center, which is lost during the oxidative addition as the C-halide bond is being broken. Interestingly, selective activation of aryl halides has been demonstrated by adding reactive aryl halides to the η(2) -coordination complexes. The product distribution can be controlled by the concentration of the reactants and/or the presence of excess phosphine. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Determination of halide impurities in ionic liquids by total reflection X-ray fluorescence spectrometry.

    Science.gov (United States)

    Vander Hoogerstraete, Tom; Jamar, Steven; Wellens, Sil; Binnemans, Koen

    2014-04-15

    The determination and quantification of halide impurities in ionic liquids is highly important because halide ions can significantly influence the chemical and physical properties of ionic liquids. The use of impure ionic liquids in fundamental studies on solvent extraction or catalytic reactions can lead to incorrect experimental data. The detection of halide ions in solution by total reflection X-ray fluorescence (TXRF) has been problematic because volatile hydrogen halide (HX) compounds are formed when the sample is mixed with the acidic metal standard solution. The loss of HX during the drying step of the sample preparation procedure gives imprecise and inaccurate results. A new method based on an alkaline copper standard Cu(NH3)4(NO3)2 is presented for the determination of chloride, bromide, and iodide impurities in ionic liquids. The 1-butyl-3-methylimidazolium ([C4mim]) ionic liquids with the anions acetate ([C4mim][OAc]), nitrate ([C4mim][NO3]), trifluoromethanesulfonate ([C4mim][OTf]), and bis(trifluoromethylsulfonyl)imide ([C4mim][Tf2N]) were synthesized via a halide-free route and contaminated on purpose with known amounts of [C4mim]Cl, [C4mim]Br, [C4mim]I, or potassium halide salts in order to validate the new method and standard.

  18. Influence of alkalis from different sources than cement in the evolution of alkali-silica reaction

    Directory of Open Access Journals (Sweden)

    Olague, C.

    2003-12-01

    Full Text Available A bibliographical revision of the existent literature allows showing symptoms of alkali-silica reaction (ASR in highways, and the practical and economic method uranyl acetate to confirm the presence of ASR. The existence of reaction in concrete pavements of Chihuahua City was verified by a visual observation of patterns cracks, examination of gel deposits and the presence of reactive materials. Considering that the cement used to construct this pavements with problems of ASR, was low alkalis cement, the research was devoted to study the influence of alkalis coming from different sources than cement in the evolution of reaction such as: a aggregates: gravel and sand, b mix water, c additives and d minerals additions The initial classification of cements like high and low alkalis concerned to ASR must be revised for accept the fact that there is not a unique maximum limit alkalis of cement under which the expansible reactivity cannot occur.

    Una revisión bibliográfica de la literatura existente permite mostrar las manifestaciones de reacción álcali-sílice (RAS en estructuras de carreteras y el método práctico y económico de acetato de uranilo para confirmar la presencia de RAS. La existencia de la reacción en pavimentos de hormigón de la ciudad de Chihuahua se pudo confirmar tras la observación visual de modelos de grietas, estudios de depósitos de gel y existencia de fuentes de materiales reactivos. Considerando que el cemento utilizado para construir los tramos de pavimento con problemas de RAS, era un cemento bajo en álcalis, se enfocó la investigación al estudio de la influencia de los álcalis provenientes de fuentes distintas al cemento en la evolución de la reacción tales como: a áridos gruesos y finos, b agua de mezclado, c aditivos y d adiciones minerales El concepto inicial de clasificación de cementos altos y bajos en álcalis con respecto a la RAS debe ser revisado para aceptar el hecho de que no hay un solo

  19. Growth of thick p-type SiC epitaxial layers by halide chemical vapor deposition

    Science.gov (United States)

    Fanton, M. A.; Weiland, B. E.; Redwing, J. M.

    2008-08-01

    The halide chemical vapor deposition process for single-crystal SiC achieves growth rates over 200 μm/h at temperatures approaching 2000 °C. This work examines the conditions required to produce 80-100-μm-thick heavily p-type doped layers on 4H-SiC substrates by using boron trichloride and trimethylaluminum at high growth temperatures. Dopant incorporation as a function of the dopant concentration in the growth ambient was evaluated by secondary ion mass spectrometry (SIMS). The maximum Al and B concentrations achieved were 5×10 17 and 4×10 19 atoms/cm 3, respectively. Low Al incorporation efficiency was attributed to the high growth temperature and reaction of Al with Cl to form volatile chloride species. Aluminum incorporation was consistent with incorporation as a simple solid solution, while B incorporation exhibited a much stronger interaction with the SiC matrix. Aluminum incorporation was found to be an order of magnitude higher on the Si-face of the substrate, while B incorporation was essentially the same on both the Si-face and C-face. Aluminum incorporation was increased by a factor of five as the C/Si ratio increased from 0.42 to 0.86, while boron incorporation showed no sensitivity to the C/Si ratio. The B concentrations measured by SIMS were of the same magnitude as the net acceptor concentrations estimated from capacitance-voltage measurements, indicating a significant fraction of the B dopant was activated.

  20. The role of halides on a chromium ligand field in lead borate glasses

    Science.gov (United States)

    Sekhar, K. Chandra; Srinivas, B.; Narsimlu, N.; Narasimha Chary, M.; Shareefuddin, Md

    2017-10-01

    Glasses with a composition of PbX–PbO–B2O3 (X  =  F2, Cl2 and Br2) containing Cr3+ ions were prepared by a melt quenching technique and investigated by using x-ray diffraction (XRD), optical absorption and electron paramagnetic resonance (EPR) studies. X-ray diffractograms revealed the amorphous nature of the glasses. The density and molar volume were determined. Density values increased for the PFPBCR glass system and decreased for the PCPBCR and PBPBCR glass systems with the composition. Optical absorption spectra were recorded at room temperature (RT) to evaluate the optical band gap E opt and Urbach energies. All the spectra showed characteristic peaks at around 450 nm, 600 nm and 690 nm, and they are assigned to 4 A 2g  →  4 T 1g, 4 A 2g  →  4 T 2g, 4 A 2g  →  2 E transitions respectively. From the optical absorption spectral data, the crystal field (D q ) and Racah parameters (B and C) have been evaluated. Variations in optical band gaps were explained using the electro negativity of halide ions. Electron paramagnetic resonance (EPR) studies were carried out by introducing Cr3+ as the spin probe. The EPR spectra of all the glass samples were recorded at X-band frequencies. The EPR spectra exhibit two resonance signals with effective g values at g  ≈  4.82 and g  ≈  1.99 and are attributed to isolated Cr3+ ions and exchange coupled Cr3+ pairs respectively. The number of spins along with susceptibility are also calculated from the EPR spectra.

  1. (e, 2e) triple differential cross sections of alkali and alkali earth atoms: Na, K and Mg, Ca

    International Nuclear Information System (INIS)

    Hitawala, U; Purohit, G; Sud, K K

    2008-01-01

    Recently low-energy measurements have been reported for alkali targets Na and K and alkali earth targets Mg and Ca in coplanar symmetric geometry. We report the results of our calculation of triple differential cross section (TDCS) for electron impact single ionization (i.e. (e, 2e) processes) of alkali atoms Na, K and alkali earth atoms Mg, Ca in coplanar symmetric geometry. We have performed the present calculations using the distorted-wave Born approximation (DWBA) formalism at intermediate incident electron energies used in the recently performed experiments. Ionization takes place from the valence shell for all the targets investigated and the outgoing electrons share the excess energy equally. We have also considered the effect of target polarization in our DWBA calculations which may be an important quantity at incident electron energies used in the present investigation. We find that the DWBA formalism is able to reproduce most of the trend of experimental data and may provide a future direction for further investigation of ionization process on alkali and alkali earth metals. It is also observed that the second-order effects are more important to understand the collision dynamics of (e, 2e) processes on alkali earth targets

  2. Solid state white light emission studies of erbium and dysprosium doped halide crystals

    Science.gov (United States)

    Culp, Mical L.

    Rare-earth ions account for fourteen in number within the lanthanide series; with erbium and dysprosium being primary candidates in many applications such as spectroscopy, amplifiers, and, most recently, white light emission. Both erbium and dysprosium occupy Ca sites in the material. CaF2 is a divalent compound, and both erbium and dysprosium enter the lattice in a triply ionized state because they form trivalent compounds defects that occur in the material because a trivalent dopant ion replaces a divalent host ion. The absorption and emission peaks are identified within Er3+ and Dy3+ spectral transitions. The sample color appears to be white in Er3+ doped CaF2 or white under near-infrared laser excitation. Under 405nm laser excitation investigation, these materials exhibited a bright white fluorescence or emission color that was found to be dependent on the pump laser wavelength used as well as laser power. Excitation spectral recordings were made by tuning the pump laser wavelength and focusing the sample. The sample emission appears to be white under near-infrared excitation as well as violet laser excitation. Excited state lifetimes were measured to analyze the data. Our studies indicate that these samples could be useful in solid-state lighting applications. The energy levels of Dy3+ are the same as those of Er3+ except for the orders of the arrangements. Quenching is a major problem in Dy3+ materials, and serves to be the primary reason for why this material is unpopular in laser development. We selected Dy3+ - doped low phonon material such as CaF2, KPb2Cl5 and KPb2Br 5 for investigations. Under 405nm excitation, all these materials emitted white luminescence. Emission occurred in CaF2 from the ground state to the excited state levels containing 4F9/2. In KPb2Br5 emission occurred from 4F 9/2, 4G11/2, and 4M1/2 due to small phonon frequency.

  3. Alkali-free bioactive glasses for bone regeneration =

    Science.gov (United States)

    Kapoor, Saurabh

    Bioactive glasses and glass-ceramics are a class of third generation biomaterials which elicit a special response on their surface when in contact with biological fluids, leading to strong bonding to living tissues. The purpose of the present study was to develop diopside based alkali-free bioactive glasses in order to achieve good sintering behaviour, high bioactivity, and a dissolution/ degradation rates compatible with the target applications in bone regeneration and tissue engineering. Another aim was to understand the structure-property relationships in the investigated bioactive glasses. In this quest, various glass compositions within the Diopside (CaMgSi2O6) - Fluorapatite (Ca5(PO4)3F) - Tricalcium phosphate (3CaO•P2O5) system have been investigated. All the glasses were prepared by melt-quenching technique and characterized by a wide array of complementary characterization techniques. The glass-ceramics were produced by sintering of glass powders compacts followed by a suitable heat treatment to promote the nucleation and crystallization phenomena. Furthermore, selected parent glass compositions were doped with several functional ions and an attempt to understand their effects on the glass structure, sintering ability and on the in vitro bio-degradation and biomineralization behaviours of the glasses was made. The effects of the same variables on the devitrification (nucleation and crystallization) behaviour of glasses to form bioactive glass-ceramics were also investigated. Some of the glasses exhibited high bio-mineralization rates, expressed by the formation of a surface hydroxyapatite layer within 1-12 h of immersion in a simulated body fluid (SBF) solution. All the glasses showed relatively lower degradation rates in comparison to that of 45S5 Bioglass. Some of the glasses showed very good in vitro behaviour and the glasses co-doped with zinc and strontium showed an in vitro dose dependent behaviour. The as-designed bioactive glasses and glass

  4. In situ Spectroscopy of Solid-State Chemical Reaction in PbBr2-Deposited CsBr Crystals

    Science.gov (United States)

    Kondo, Shin-ichi; Matsunaga, Toshihiro; Saito, Tadaaki; Asada, Hiroshi

    2003-09-01

    It is possible to measure the fundamental optical absorption spectra of CsPbBr3 and Cs4PbBr6, whose stability is predicted by the study of phase diagram in the binary system CsBr-PbBr2, by means of in situ optical absorption and reflection spectroscopy of thermally induced solid-state chemical reaction in PbBr2-deposited CsBr crystals. On heavy annealing of the crystals, the Pb2+ ions are uniformly dispersed in the crystal matrix. The present experiment provides a novel method for measuring intrinsic optical absorption of ternary metal halides and also for in situ monitoring of doping metal halide crystal with impurities (metal ions or halogen ions).

  5. Alkali-bonded ceramics with hierarchical tailored porosity

    Czech Academy of Sciences Publication Activity Database

    Landi, E.; Medri, V.; Papa, E.; Dědeček, Jiří; Klein, Petr; Benito, P.; Vaccari, A.

    2013-01-01

    Roč. 73, SI (2013), s. 56-64 ISSN 0169-1317 Institutional support: RVO:61388955 Keywords : alkali-bonded ceramics * metalcaolin * geopolymerization parameters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.703, year: 2013

  6. Closure plug for alkali-metal-bounded fuel rods

    International Nuclear Information System (INIS)

    Guettler, R.

    1974-01-01

    The fuel rod consists of a cladding tube containing an alkali metal which surrounds the fuel pellets. The alkali metal improves the heat transfer. The cladding tube is closed with an end cap at its front end which cap is welded to the cladding tube. Its outside diameter is smaller than the inside diameter of the cladding tube so that the gas can flow out over the alkali metal column during the filling process. The length of the cap is such that the alkali metal is not heated during the welding process. The weld proper is made on a welding collar following a forced fit of the end cap. The end cap may be hollow. (DG) [de

  7. Saccharification of gamma-ray and alkali pretreated lignocellulosics

    International Nuclear Information System (INIS)

    Begum, A.; Choudhury, N.

    1988-01-01

    Enzymic saccharification of gamma ray and alkali pretreated sawdust, rice straw, and sugar cane bagasse showed higher release of reducing sugar from pretreated substrates. By gamma ray treatment alone (500 kGy) reducing sugar release of 2.8, 9.2, and 10 g/l was obtained from 7.5% (w/v) sawdust, rice straw, and bagasse and the same substrates showed reducing sugar release of 4.2, 30, and 20 g/l respectively when treated with alkali (0.1 g/g). Combination of gamma ray with alkali treatment further increased the reducing sugar release to 10.2, 33, and 36 g/l from sawdust, rice straw, and bagasse respectively. The effects of gamma ray and alkali treatment on saccharification varied with the nature of the substrate

  8. Method for intercalating alkali metal ions into carbon electrodes

    Science.gov (United States)

    Doeff, Marca M.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard

    1995-01-01

    A low cost, relatively flexible, carbon electrode for use in a secondary battery is described. A method is provided for producing same, including intercalating alkali metal salts such as sodium and lithium into carbon.

  9. Mineralization dynamics of metakaolin-based alkali-activated cements

    Science.gov (United States)

    Gevaudan, Juan Pablo; Campbell, Kate M.; Kane, Tyler; Shoemaker, Richard K.; Srubar, Wil V.

    2017-01-01

    This paper investigates the early-age dynamics of mineral formation in metakaolin-based alkali-activated cements. The effects of silica availability and alkali content on mineral formation were investigated via X-ray diffraction and solid-state 29Si magic-angle spinning nuclear magnetic resonance spectroscopy at 2, 7, 14, and 28 days. Silica availability was controlled by using either liquid- (immediate) or solid-based (gradual) sodium silicate supplements. Mineral (zeolitic) and amorphous microstructural characteristics were correlated with observed changes in bulk physical properties, namely shrinkage, density, and porosity. Results demonstrate that, while alkali content controls the mineralization in immediately available silica systems, alkali content controls the silica availability in gradually available silica systems. Immediate silica availability generally leads to a more favorable mineral formation as demonstrated by correlated improvements in bulk physical properties.

  10. Dedolomitization and Alkali Reactions in Ohio-sourced Dolstone Aggregates

    Science.gov (United States)

    2017-11-01

    Concrete samples produced using NW-Ohio sourced aggregates were evaluated for susceptibility to degradation and premature failure due to cracks formed by the volume expansion during hydration of silica gels produced by alkali-silica reactions between...

  11. 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.

  12. Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4

    Science.gov (United States)

    Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.

    2018-02-01

    We report a detailed experimental and theoretical investigation of structural, optical, magnetic and magnetothermal properties of single crystals of a new organic-inorganic hybrid (C2H5NH3)2CoCl4. Grown by slow evaporation method at room temperature, the compound crystallizes in centrosymmetric orthorhombic structure (Pnma) which undergoes a reversible phase transition at 235/241 K (cooling/heating) to noncentrosymmetric P212121 space group symmetry associated with order-disorder transformation of carbon atoms of the ammonium cations as well as molecular rearrangement. Electronic absorption spectra of the compound are typical of geometrically distorted [CoCl4]2- tetrahedra having spin-orbit coupling effect. The isolated nature of [CoCl4]2- tetrahedra in the crystal reflect in paramagnetic behaviour of the compound. Interestingly, field induced spin flipping behaviour is observed at low temperature. First principles density functional calculations reveal weak magnetic interaction among cobalt spins with ferromagnetic state being the ground state. The entropy change associated with the spin flipping has been experimentally estimated by magnetic and heat capacity measurements which has a maximum value of 16 J Kg-1 K-1 at 2.5 K under 7 T magnetic field. To the best of our knowledge, this is the first report on magnetocaloric effect observed in an organic-inorganic halide compound. The estimated value is sizable and is comparable to that of well-known transition metal molecular cluster magnets Mn12 or Fe14. The overall findings promise to enlighten new routes to design and constitute multifunctional organic-inorganic halide materials.

  13. Single-Crystal Thin Films of Cesium Lead Bromide Perovskite Epitaxially Grown on Metal Oxide Perovskite (SrTiO3).

    Science.gov (United States)

    Chen, Jie; Morrow, Darien J; Fu, Yongping; Zheng, Weihao; Zhao, Yuzhou; Dang, Lianna; Stolt, Matthew J; Kohler, Daniel D; Wang, Xiaoxia; Czech, Kyle J; Hautzinger, Matthew P; Shen, Shaohua; Guo, Liejin; Pan, Anlian; Wright, John C; Jin, Song

    2017-09-27

    High-quality metal halide perovskite single crystals have low defect densities and excellent photophysical properties, yet thin films are the most sought after material geometry for optoelectronic devices. Perovskite single-crystal thin films (SCTFs) would be highly desirable for high-performance devices, but their growth remains challenging, particularly for inorganic metal halide perovskites. Herein, we report the facile vapor-phase epitaxial growth of cesium lead bromide perovskite (CsPbBr 3 ) continuous SCTFs with controllable micrometer thickness, as well as nanoplate arrays, on traditional oxide perovskite SrTiO 3 (100) substrates. Heteroepitaxial single-crystal growth is enabled by the serendipitous incommensurate lattice match between these two perovskites, and overcoming the limitation of island-forming Volmer-Weber crystal growth is critical for growing large-area continuous thin films. Time-resolved photoluminescence, transient reflection spectroscopy, and electrical transport measurements show that the CsPbBr 3 epitaxial thin film has a slow charge carrier recombination rate, low surface recombination velocity (10 4 cm s -1 ), and low defect density of 10 12 cm -3 , which are comparable to those of CsPbBr 3 single crystals. This work suggests a general approach using oxide perovskites as substrates for heteroepitaxial growth of halide perovskites. The high-quality halide perovskite SCTFs epitaxially integrated with multifunctional oxide perovskites could open up opportunities for a variety of high-performance optoelectronics devices.

  14. Rheology of Cementitious Materials: Alkali-Activated Materials or Geopolymers

    OpenAIRE

    Puertas F.; Alonso M.M:; Gismera S.; Lanzón M.; Blanco-Varela M.T.

    2018-01-01

    A clear alternative to reach the goal of sustainable development in the Construction Sector is the development of alternative building materials to Ordinary Portland Cement (OPC) in a more energetically as well as environmentally eco-efficient way. Alkaline cements (Alkali-Activated Materials, AAMs) and geopolymers meet these requirements; and they are based on the alkali activation of aluminosilicates (mainly waste and industrial by-products, such as blast furnace slag, fly ash and ceramic w...

  15. Alkali promotion of N-2 dissociation over Ru(0001)

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet

    1998-01-01

    Using self-consistent density functional calculations, we show that adsorbed Na and Cs lower the barrier for dissociation of N2 on Ru(0001). Since N2 dissociation is a crucial step in the ammonia synthesis reaction, we explain in this way the experimental observation that alkali metals promote...... the ammonia synthesis reaction over Ru catalysts. We also show that the origin of this effect is predominantly a direct electrostatic attraction between the adsorbed alkali atoms and the dissociating molecule....

  16. Charge transfer in gold--alkali-metal systems

    International Nuclear Information System (INIS)

    Watson, R.E.; Weinert, M.

    1994-01-01

    Based on conventional electronegativity arguments, gold--alkali-metal compounds are expected to be among the most ''ionic'' of metallic compounds. The concepts of ionicity and charge transfer are difficult to quantify. However, the changes in bonding in the 50/50 Au--alkali-metal systems between the elemental metals and the compounds are so severe that observations can readily be made concerning their character. The results, as obtained from self-consistent electronic-structure calculations, lead to the apparently odd observation that the electron density at the alkali-metal sites in the compound increases significantly and this involves high l componennts in the charge density. This increase, however, can be attributed to Au-like orbitals spatially overlapping the alkali-metal sites. In a chemical sense, it is reasonable to consider the alkali-metal transferring charge to these Au orbitals. While normally the difference in heats of formation between muffin-tin and full-potential calculations for transition-metal--transition-metal and transition-metal--main-group (e.g., Al) compounds having high site symmetry are small, for the gold--alkali-metal systems, the changes in bonding in the compounds cause differences of ∼0.5 eV/atom between the two classes of potential. Any serious estimate of the electronic structure in these systems must account for these aspherical bonding charges. The origin of the semiconducting behavior of the heavy-alkali-metal Au compounds is shown to arise from a combination of the Au-Au separations and the ionic character of the compounds; the light-alkali-metal Au compounds, with their smaller Au-Au separations, do not have a semiconducting gap. Core-level shifts and isomer shifts are also briefly discussed

  17. Preparation and Properties of Alkali Activated Metakaolin-Based Geopolymer.

    Science.gov (United States)

    Chen, Liang; Wang, Zaiqin; Wang, Yuanyi; Feng, Jing

    2016-09-08

    The effective activation and utilization of metakaolin as an alkali activated geopolymer precursor and its use in concrete surface protection is of great interest. In this paper, the formula of alkali activated metakaolin-based geopolymers was studied using an orthogonal experimental design. It was found that the optimal geopolymer was prepared with metakaolin, sodium hydroxide, sodium silicate and water, with the molar ratio of SiO₂:Al₂O₃:Na₂O:NaOH:H₂O being 3.4:1.1:0.5:1.0:11.8. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR) were adopted to investigate the influence of curing conditions on the mechanical properties and microstructures of the geopolymers. The best curing condition was 60 °C for 168 h, and this alkali activated metakaolin-based geopolymer showed the highest compression strength at 52.26 MPa. In addition, hollow micro-sphere glass beads were mixed with metakaolin particles to improve the thermal insulation properties of the alkali activated metakaolin-based geopolymer. These results suggest that a suitable volume ratio of metakaolin to hollow micro-sphere glass beads in alkali activated metakaolin-based geopolymers was 6:1, which achieved a thermal conductivity of 0.37 W/mK and compressive strength of 50 MPa. By adjusting to a milder curing condition, as-prepared alkali activated metakaolin-based geopolymers could find widespread applications in concrete thermal protection.

  18. Preparation and Properties of Alkali Activated Metakaolin-Based Geopolymer

    Directory of Open Access Journals (Sweden)

    Liang Chen

    2016-09-01

    Full Text Available The effective activation and utilization of metakaolin as an alkali activated geopolymer precursor and its use in concrete surface protection is of great interest. In this paper, the formula of alkali activated metakaolin-based geopolymers was studied using an orthogonal experimental design. It was found that the optimal geopolymer was prepared with metakaolin, sodium hydroxide, sodium silicate and water, with the molar ratio of SiO2:Al2O3:Na2O:NaOH:H2O being 3.4:1.1:0.5:1.0:11.8. X-ray diffraction (XRD and Fourier transform infrared spectroscopy (FT-IR were adopted to investigate the influence of curing conditions on the mechanical properties and microstructures of the geopolymers. The best curing condition was 60 °C for 168 h, and this alkali activated metakaolin-based geopolymer showed the highest compression strength at 52.26 MPa. In addition, hollow micro-sphere glass beads were mixed with metakaolin particles to improve the thermal insulation properties of the alkali activated metakaolin-based geopolymer. These results suggest that a suitable volume ratio of metakaolin to hollow micro-sphere glass beads in alkali activated metakaolin-based geopolymers was 6:1, which achieved a thermal conductivity of 0.37 W/mK and compressive strength of 50 MPa. By adjusting to a milder curing condition, as-prepared alkali activated metakaolin-based geopolymers could find widespread applications in concrete thermal protection.

  19. Two-phase alkali-metal experiments in reduced gravity

    International Nuclear Information System (INIS)

    Antoniak, Z.I.

    1986-06-01

    Future space missions envision the use of large nuclear reactors utilizing either a single or a two-phase alkali-metal working fluid. The design and analysis of such reactors require state-of-the-art computer codes that can properly treat alkali-metal flow and heat transfer in a reduced-gravity environment. A literature search of relevant experiments in reduced gravity is reported on here, and reveals a paucity of data for such correlations. The few ongoing experiments in reduced gravity are noted. General plans are put forth for the reduced-gravity experiments which will have to be performed, at NASA facilities, with benign fluids. A similar situation exists regarding two-phase alkali-metal flow and heat transfer, even in normal gravity. Existing data are conflicting and indequate for the task of modeling a space reactor using a two-phase alkali-metal coolant. The major features of past experiments are described here. Data from the reduced-gravity experiments with innocuous fluids are to be combined with normal gravity data from the two-phase alkali-metal experiments. Analyses undertaken here give every expectation that the correlations developed from this data base will provide a valid representation of alkali-metal heat transfer and pressure drop in reduced gravity

  20. Alkali-slag cements for the immobilization of radioactive wastes

    International Nuclear Information System (INIS)

    Shi, C.; Day, R.L.

    1996-01-01

    Alkali-slag cements consist of glassy slag and an alkaline activator and can show both higher early and later strengths than Type III Portland cement, if a proper alkaline activator is used. An examination of microstructure of hardened alkali-slag cement pastes with the help of XRD and SEM with EDAX shows that the main hydration product is C-S-H (B) with low C/S ratio and no crystalline substances exist such as Ca(OH) 2 , Al (OH) 3 and sulphoaluminates. Mercury intrusion tests indicate that hardened alkali-slag cement pastes have a lower porosity than ordinary Portland cement, and contain mainly gel pores. The fine pore structure of hardened alkali-slag cement pastes will restrict the ingress of deleterious substances and the leaching of harmful species such as radionuclides. The leachability of Cs + from hardened alkali-slag cement pastes is only half of that from hardened Portland cement. From all these aspects, it is concluded that alkali-slag cements are a better solidification matrix than Portland cement for radioactive wastes